Carbohydrate-binding modules from family 11: Understanding the binding mode of polysaccharides
This article focuses on the molecular determinants that drive the binding and recognition of polysaccharides to the carbohydrate‐binding modules (CBMs) from family 11. The CBMs are noncatalytic modules of a high‐hierarchy multisubunit complex called cellulosome, which are known to be crucial for the...
Saved in:
| Published in | International journal of quantum chemistry Vol. 108; no. 11; pp. 2030 - 2040 |
|---|---|
| Main Authors | , , , |
| Format | Journal Article |
| Language | English |
| Published |
Hoboken
Wiley Subscription Services, Inc., A Wiley Company
2008
|
| Subjects | |
| Online Access | Get full text |
| ISSN | 0020-7608 1097-461X |
| DOI | 10.1002/qua.21755 |
Cover
Loading…
| Abstract | This article focuses on the molecular determinants that drive the binding and recognition of polysaccharides to the carbohydrate‐binding modules (CBMs) from family 11. The CBMs are noncatalytic modules of a high‐hierarchy multisubunit complex called cellulosome, which are known to be crucial for the efficient degradation of polysaccharides. Their function and behavior has not yet been fully clarified, and taking into account the bioeconomical interest in this subject it has become a challenging research problem. Our computational results point to the fact that the binding interface of the CBM11 can bind only one single polysaccharide chain, which is in agreement with other CBMs from type B. The central binding site has affinity for polysaccharides with more than four subunits, and there are four main residues that have a central role in this interaction: Asp99, Arg126, Asp128, and Asp146. Furthermore, there are three tyrosine residues, Tyr22, Tyr53, and Tyr129 that are crucial for the guiding and packing of the polysaccharide to the charged regions. In this article, we have also compared the structure of the CBM11 with other CBMs families from type B and found many similarities, which suggest similar binding activities and functions. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008 |
|---|---|
| AbstractList | This article focuses on the molecular determinants that drive the binding and recognition of polysaccharides to the carbohydrate‐binding modules (CBMs) from family 11. The CBMs are noncatalytic modules of a high‐hierarchy multisubunit complex called cellulosome, which are known to be crucial for the efficient degradation of polysaccharides. Their function and behavior has not yet been fully clarified, and taking into account the bioeconomical interest in this subject it has become a challenging research problem. Our computational results point to the fact that the binding interface of the CBM11 can bind only one single polysaccharide chain, which is in agreement with other CBMs from type B. The central binding site has affinity for polysaccharides with more than four subunits, and there are four main residues that have a central role in this interaction: Asp99, Arg126, Asp128, and Asp146. Furthermore, there are three tyrosine residues, Tyr22, Tyr53, and Tyr129 that are crucial for the guiding and packing of the polysaccharide to the charged regions. In this article, we have also compared the structure of the CBM11 with other CBMs families from type B and found many similarities, which suggest similar binding activities and functions. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008 |
| Author | Fernandes, P. A. Cerqueira, N. M. F. S. A. Ramos, M. J. Brás, N. F. |
| Author_xml | – sequence: 1 givenname: N. F. surname: Brás fullname: Brás, N. F. organization: REQUIMTE - Departamento de Química, Faculdade de Ciências do Porto, 4169-007 Porto, Portugal – sequence: 2 givenname: N. M. F. S. A. surname: Cerqueira fullname: Cerqueira, N. M. F. S. A. email: nscerque@fc.up.pt organization: REQUIMTE - Departamento de Química, Faculdade de Ciências do Porto, 4169-007 Porto, Portugal – sequence: 3 givenname: P. A. surname: Fernandes fullname: Fernandes, P. A. organization: REQUIMTE - Departamento de Química, Faculdade de Ciências do Porto, 4169-007 Porto, Portugal – sequence: 4 givenname: M. J. surname: Ramos fullname: Ramos, M. J. organization: REQUIMTE - Departamento de Química, Faculdade de Ciências do Porto, 4169-007 Porto, Portugal |
| BookMark | eNp1kE9PwjAYhxuDiYge_Aa7ehj0z9oyb4QomCBqIpGTzbu2k-rYsB3RfXtR0Bijp_fwPs_v8ByiVlmVFqETgrsEY9p7WUOXEsn5HmoTnMo4EWTeQu3ND8dS4P4BOgzhCWMsmJBt9DAEn1WLxniobZy50rjyMVpWZl3YEOW-WkY5LF3RRIScRbPSWB9q2FL1wkY_DBtVebSqiiaA1gvwzthwhPZzKII93t0Oml2c3w3H8eR6dDkcTGLNsORxKilok2Rghc6o1X2cG6q51AxYCjoVwLkhIBLBKLNcmoRYmhqRCqpp3uesg3rbXe2rELzNlXY11K4qaw-uUASrjzxqk0d95tkYp7-MlXdL8M2f7G791RW2-R9Ut7PBlxFvDRdq-_ZtgH9WQjLJ1f10pCZTfMWT8Y2as3eOpodn |
| CitedBy_id | crossref_primary_10_1002_adma_201503948 crossref_primary_10_1016_j_ibiod_2014_08_007 crossref_primary_10_1111_cbdd_12197 crossref_primary_10_1016_j_ijbiomac_2017_12_148 crossref_primary_10_1016_j_abb_2015_05_011 crossref_primary_10_1038_s41598_018_22769_w crossref_primary_10_5696_2156_9614_10_28_201215 crossref_primary_10_1021_ja302803r crossref_primary_10_1517_13543776_2014_916280 crossref_primary_10_3724_SP_J_1206_2010_00278 crossref_primary_10_1007_s00775_014_1198_2 crossref_primary_10_1021_jacs_6b00240 crossref_primary_10_3390_md8061920 crossref_primary_10_1002_qua_22738 crossref_primary_10_1016_j_bcab_2017_06_013 |
| Cites_doi | 10.1111/j.1742-4658.2008.06401.x 10.1021/bi0106742 10.1016/S0022-2836(02)00374-1 10.1006/jmbi.1996.0897 10.1073/pnas.191362798 10.1016/j.ab.2003.11.011 10.1021/ar970172 10.1002/jcc.1153 10.1021/jp010454y 10.1063/1.1332996 10.1021/ja00124a002 10.1080/00268978800101881 10.1074/jbc.M405867200 10.1021/jp984440c 10.1002/jcc.20290 10.1002/prot.10465 10.1002/jcc.540040211 10.1002/bip.360350107 10.1023/B:JCAM.0000017496.76572.6f 10.1021/ja051020 10.1002/jcc.1072 10.1002/chem.200500367 10.1002/jcc.1161 10.1073/pnas.0730515100 10.1016/S0969-2126(03)00100-X 10.1021/jp004413y 10.1016/0010-4655(91)90105-T 10.1042/BJ20040892 |
| ContentType | Journal Article |
| Copyright | Copyright © 2008 Wiley Periodicals, Inc. |
| Copyright_xml | – notice: Copyright © 2008 Wiley Periodicals, Inc. |
| DBID | BSCLL AAYXX CITATION |
| DOI | 10.1002/qua.21755 |
| DatabaseName | Istex CrossRef |
| DatabaseTitle | CrossRef |
| DatabaseTitleList | CrossRef |
| DeliveryMethod | fulltext_linktorsrc |
| Discipline | Chemistry |
| EISSN | 1097-461X |
| EndPage | 2040 |
| ExternalDocumentID | 10_1002_qua_21755 QUA21755 ark_67375_WNG_LN0M54HP_X |
| Genre | article |
| GrantInformation_xml | – fundername: Portuguese Science and Technology Foundation (FCT‐MCTES) funderid: SFRH/BDP/27237/2006; SFRH/BD/31359/2006 – fundername: REQUIMTE (Project Reqmol) |
| GroupedDBID | -~X .3N .GA .Y3 05W 0R~ 10A 1L6 1OB 1OC 1ZS 31~ 33P 3SF 3WU 4.4 4ZD 50Y 50Z 51W 51X 52M 52N 52O 52P 52S 52T 52U 52W 52X 53G 5GY 5VS 66C 6TJ 702 7PT 8-0 8-1 8-3 8-4 8-5 8UM 930 A03 AAESR AAEVG AAHHS AANLZ AAONW AASGY AAXRX AAYOK AAZKR ABCQN ABCUV ABDBF ABEFU ABEML ABIJN ABJNI ABPVW ABTAH ACAHQ ACBWZ ACCFJ ACCZN ACGFO ACGFS ACIWK ACNCT ACPOU ACSCC ACXBN ACXQS ADBBV ADEOM ADIZJ ADKYN ADMGS ADOZA ADXAS ADZMN ADZOD AEEZP AEGXH AEIGN AEIMD AENEX AEQDE AEUQT AEUYR AFBPY AFFNX AFFPM AFGKR AFPWT AFZJQ AHBTC AI. AIAGR AITYG AIURR AIWBW AJBDE AJXKR ALAGY ALMA_UNASSIGNED_HOLDINGS ALUQN AMBMR AMYDB ASPBG ATUGU AUFTA AVWKF AZBYB AZFZN AZVAB BAFTC BDRZF BFHJK BHBCM BMNLL BMXJE BNHUX BROTX BRXPI BSCLL BTSUX BY8 CS3 D-E D-F DCZOG DPXWK DR1 DR2 DRFUL DRSTM DU5 EBS EJD ESX F00 F01 F04 F5P FEDTE G.N GNP GODZA H.T H.X HBH HF~ HGLYW HHY HHZ HVGLF HZ~ H~9 I-F IX1 J0M JPC KQQ LATKE LAW LC2 LC3 LEEKS LH4 LITHE LOXES LP6 LP7 LUTES LW6 LYRES M21 MEWTI MK4 MRFUL MRSTM MSFUL MSSTM MXFUL MXSTM N04 N05 N9A NF~ NNB O66 O9- OIG P2P P2W P2X P4D PALCI Q.N Q11 QB0 QRW R.K RIWAO RJQFR RNS ROL RWI RWK RX1 SAMSI SUPJJ TN5 TUS UB1 UPT V2E V8K VH1 W8V W99 WBFHL WBKPD WH7 WIB WIH WIK WJL WOHZO WQJ WRC WXSBR WYISQ XG1 XPP XV2 YCJ ZCG ZY4 ZZTAW ~IA ~WT AAHQN AAMNL AANHP AAYCA ACRPL ACUHS ACYXJ ADNMO AFWVQ ALVPJ AAYXX ADMLS AETEA AEYWJ AGHNM AGQPQ AGYGG CITATION |
| ID | FETCH-LOGICAL-c3075-972acd4bae6cb2ec80fd2c57c3a39ac96a55d1a646323e57d41e29d6962c2f853 |
| IEDL.DBID | DR2 |
| ISSN | 0020-7608 |
| IngestDate | Tue Jul 01 02:37:46 EDT 2025 Thu Apr 24 22:57:01 EDT 2025 Wed Jan 22 16:52:55 EST 2025 Wed Oct 30 09:49:47 EDT 2024 |
| IsPeerReviewed | true |
| IsScholarly | true |
| Issue | 11 |
| Language | English |
| License | http://onlinelibrary.wiley.com/termsAndConditions#vor |
| LinkModel | DirectLink |
| MergedId | FETCHMERGED-LOGICAL-c3075-972acd4bae6cb2ec80fd2c57c3a39ac96a55d1a646323e57d41e29d6962c2f853 |
| Notes | ArticleID:QUA21755 ark:/67375/WNG-LN0M54HP-X REQUIMTE (Project Reqmol) Portuguese Science and Technology Foundation (FCT-MCTES) - No. SFRH/BDP/27237/2006; No. SFRH/BD/31359/2006 istex:B941AB13CBF71ADE727254726AFFD4C8255994DB |
| PageCount | 11 |
| ParticipantIDs | crossref_citationtrail_10_1002_qua_21755 crossref_primary_10_1002_qua_21755 wiley_primary_10_1002_qua_21755_QUA21755 istex_primary_ark_67375_WNG_LN0M54HP_X |
| ProviderPackageCode | CITATION AAYXX |
| PublicationCentury | 2000 |
| PublicationDate | 2008 |
| PublicationDateYYYYMMDD | 2008-01-01 |
| PublicationDate_xml | – year: 2008 text: 2008 |
| PublicationDecade | 2000 |
| PublicationPlace | Hoboken |
| PublicationPlace_xml | – name: Hoboken |
| PublicationTitle | International journal of quantum chemistry |
| PublicationTitleAlternate | Int. J. Quantum Chem |
| PublicationYear | 2008 |
| Publisher | Wiley Subscription Services, Inc., A Wiley Company |
| Publisher_xml | – name: Wiley Subscription Services, Inc., A Wiley Company |
| References | McCartney, L.; Gilbert, H. J.; Bolam, D. N.; Boraston, A. B.; Knox, J. P. Anal Biochem 2004, 326, 49. Hammonds, K. D.; Ryckaert, J. P. Comput Phys Commun 1991, 62, 336. Viegas, A.; Bras, N.; Cerqueira, N. M. F. S. A.; Fernandes, P. A.; Pratesc, J. A. M.; Fontesc, C. M. G. A.; Bruixd, M.; Romão, M. J. L. C. A.; Ramos, M.; Macedo, A. L.; Cabrita, E. J. FEBS J 2008, 275, 2524. Dominy, B. N.; Brooks, C. L. J Phys Chem B 1999, 103, 3765. Kirschner, K. N.; Woods, R. J. J Phys Chem A 2001, 105, 4150. Carvalho, A. L.; Goyal, A.; Prates, J. A. M.; Bolam, D. N.; Gilbert, H. J.; Pires, V. M. R.; Ferreira, L. M. A.; Planas, A.; Romao, M. J.; Fontes, C. M. G. A. J Biol Chem 2004, 279, 34785. Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. J Am Chem Soc 1995, 117, 5179. Verdonk, M. L.; Cole, J. C.; Hartshorn, M. J.; Murray, C. W.; Taylor, R. D. Proteins 2003, 52, 609. Case, D. A.; Cheatham, T. E.; Darden, T. I.; Gohlke, H.; Luo, R.; Merz, K. M.; Onufriev, A.; Simmerling, C.; Wang, B.; Woods, R. J Comput Chem 2005, 26, 1668. Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J Comput Chem 1983, 3, 187. Jones, G.; Willett, P.; Glen, R. C.; Leach, A. R.; Taylor, R. J Mol Biol 1997, 267, 727. Chavez, M. I.; Andreu, C.; Vidal, P.; Aboitiz, N.; Freire, F.; Groves, P.; Asensio, J. L.; Asensio, G.; Muraki, M.; Canada, F. J.; Jimenez-Barbero, J. Chem Eur J 2005, 11, 7060. Pastor, R. W.; Brooks, B. R.; Szabo, A. Mol Phys 1988, 65, 1409. Izaguirre, J. A.; Catarello, D. P.; Wozniak, J. M.; Skeel, R. D. J Chem Phys 2001, 114, 2090. Basma, M.; Sundara, S.; Calgan, D.; Vernali, T.; Woods, R. J. J Comput Chem 2001, 22, 1125. Zechel, D. L.; Withers, S. G. Acc Chem Res 2000, 33, 11. Boraston, A. B.; Bolam, D. N.; Gilbert, H. J.; Davies, G. J. Biochem J 2004, 382, 769. Kobayashi, K.; Ehrlich, S. D.; Albertini, A.; Amati, G.; Andersen, K. K.; Arnaud, M.; Asai, K.; Ashikaga, S.; Aymerich, S.; Bessieres, P.; Boland, F.; Brignell, S. C.; Bron, S.; Bunai, K.; Chapuis, J.; Christiansen, L. C.; Danchin, A.; Debarbouille, M.; Dervyn, E.; Deuerling, E.; Devine, K.; Devine, S. K.; Dreesen, O.; Errington, J.; Fillinger, S.; Foster, S. J.; Fujita, Y.; Galizzi, A.; Gardan, R.; Eschevins, C.; Fukushima, T.; Haga, K.; Harwood, C. R.; Hecker, M.; Hosoya, D.; Hullo, M. F.; Kakeshita, H.; Karamata, D.; Kasahara, Y.; Kawamura, F.; Koga, K.; Koski, P.; Kuwana, R.; Imamura, D.; Ishimaru, M.; Ishikawa, S.; Ishio, I.; Le Coq, D.; Masson, A.; Mauel, C.; Meima, R.; Mellado, R. P.; Moir, A.; Moriya, S.; Nagakawa, E.; Nanamiya, H.; Nakai, S.; Nygaard, P.; Ogura, M.; Ohanan, T.; O'Reilly, M.; O'Rourke, M.; Pragai, Z.; Pooley, H. M.; Rapoport, G.; Rawlins, J. P.; Rivas, L. A.; Rivolta, C.; Sadaie, A.; Sadaie, Y.; Sarvas, M.; Sato, T.; Saxild, H. H.; Scanlan, E.; Schumann, W.; Seegers, J. F. M. L.; Sekiguchi, J.; Sekowska, A.; Seror, S. J.; Simon, M.; Stragier, P.; Studer, R.; Takamatsu, H.; Tanaka, T.; Takeuchi, M.; Thomaides, H. B.; Vagner, V.; van Dijl, J. M.; Watabe, K.; Wipat, A.; Yamamoto, H.; Yamamoto, M.; Yamamoto, Y.; Yamane, K.; Yata, K.; Yoshida, K.; Yoshikawa, H.; Zuber, U.; Ogasawara, N. Proc Natl Acad Sci USA 2003, 100, 4678. Boraston, A. B.; Revett, T. J.; Boraston, C. M.; Nurizzo, D.; Davies, G. J. Structure 2003, 11, 665. Huo, S.; Massova, I.; Kollman, P. A. J Comput Chem 2002, 23, 15. Rocchia, W.; Sridharan, S.; Nicholls, A.; Alexov, E.; Chiabrera, A.; Honig, B. J Comput Chem 2002, 23, 128. Fernandez, M. D.; Canada, F. J.; Jimenez-Barbero, J.; Cuevas, G. J Am Chem Soc 2005, 127, 7379. Rocchia, W.; Alexov, E.; Honig, B. J Phys Chem B 2001, 105, 6507. Boraston, A. B.; Nurizzo, D.; Notenboom, V.; Ducros, V.; Rose, D. R.; Kilburn, D. G.; Davies, G. J. J Mol Biol 2002, 319, 1143. Xie, H. F.; Gilbert, H. J.; Charnock, S. J.; Davies, G. J.; Williamson, M. P.; Simpson, P. J.; Raghothama, S.; Fontes, C. M. G. A.; Dias, F. M. V.; Ferreira, L. M. A.; Bolam, D. N. Biochemistry 2001, 40, 9167. Bursulaya, B. D.; Totrov, M.; Abagyan, R.; Brooks, C. L. J Comput Aid Mol Des 2003, 17, 755. Kirschner, K. N.; Woods, R. J. Proc Natl Acad Sci USA 2001, 98, 10541. Mosolova, T. P.; Kalyuzhnyi, S. V.; Varfolomeyev, S. D.; Velikodvorskaya, G. A. Biochemistry (Moscow) 1995, 60, 569. Asensio, J. L.; Jimenezbarbero, J. Biopolymers 1995, 35, 55. 1983; 3 1995; 35 2004; 382 1995; 117 2002; 319 2003; 17 1999; 103 2001; 22 2005; 26 2004; 326 2003; 52 2001; 40 2003; 11 2001; 105 1997; 267 1995; 60 2004; 279 2002; 23 2000; 33 2005; 127 1991; 62 1988; 65 2008; 275 2005; 11 2003; 100 2001; 114 2001; 98 e_1_2_5_26_2 e_1_2_5_27_2 e_1_2_5_24_2 e_1_2_5_25_2 e_1_2_5_23_2 e_1_2_5_20_2 Mosolova T. P. (e_1_2_5_22_2) 1995; 60 e_1_2_5_21_2 e_1_2_5_28_2 e_1_2_5_29_2 e_1_2_5_14_2 e_1_2_5_13_2 e_1_2_5_9_2 e_1_2_5_16_2 e_1_2_5_8_2 e_1_2_5_15_2 e_1_2_5_7_2 e_1_2_5_10_2 e_1_2_5_6_2 e_1_2_5_5_2 e_1_2_5_12_2 e_1_2_5_31_2 e_1_2_5_4_2 e_1_2_5_11_2 e_1_2_5_3_2 e_1_2_5_2_2 e_1_2_5_18_2 e_1_2_5_17_2 e_1_2_5_19_2 e_1_2_5_30_2 |
| References_xml | – reference: Pastor, R. W.; Brooks, B. R.; Szabo, A. Mol Phys 1988, 65, 1409. – reference: McCartney, L.; Gilbert, H. J.; Bolam, D. N.; Boraston, A. B.; Knox, J. P. Anal Biochem 2004, 326, 49. – reference: Boraston, A. B.; Revett, T. J.; Boraston, C. M.; Nurizzo, D.; Davies, G. J. Structure 2003, 11, 665. – reference: Jones, G.; Willett, P.; Glen, R. C.; Leach, A. R.; Taylor, R. J Mol Biol 1997, 267, 727. – reference: Viegas, A.; Bras, N.; Cerqueira, N. M. F. S. A.; Fernandes, P. A.; Pratesc, J. A. M.; Fontesc, C. M. G. A.; Bruixd, M.; Romão, M. J. L. C. A.; Ramos, M.; Macedo, A. L.; Cabrita, E. J. FEBS J 2008, 275, 2524. – reference: Case, D. A.; Cheatham, T. E.; Darden, T. I.; Gohlke, H.; Luo, R.; Merz, K. M.; Onufriev, A.; Simmerling, C.; Wang, B.; Woods, R. J Comput Chem 2005, 26, 1668. – reference: Carvalho, A. L.; Goyal, A.; Prates, J. A. M.; Bolam, D. N.; Gilbert, H. J.; Pires, V. M. R.; Ferreira, L. M. A.; Planas, A.; Romao, M. J.; Fontes, C. M. G. A. J Biol Chem 2004, 279, 34785. – reference: Kirschner, K. N.; Woods, R. J. Proc Natl Acad Sci USA 2001, 98, 10541. – reference: Huo, S.; Massova, I.; Kollman, P. A. J Comput Chem 2002, 23, 15. – reference: Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J Comput Chem 1983, 3, 187. – reference: Hammonds, K. D.; Ryckaert, J. P. Comput Phys Commun 1991, 62, 336. – reference: Fernandez, M. D.; Canada, F. J.; Jimenez-Barbero, J.; Cuevas, G. J Am Chem Soc 2005, 127, 7379. – reference: Kobayashi, K.; Ehrlich, S. D.; Albertini, A.; Amati, G.; Andersen, K. K.; Arnaud, M.; Asai, K.; Ashikaga, S.; Aymerich, S.; Bessieres, P.; Boland, F.; Brignell, S. C.; Bron, S.; Bunai, K.; Chapuis, J.; Christiansen, L. C.; Danchin, A.; Debarbouille, M.; Dervyn, E.; Deuerling, E.; Devine, K.; Devine, S. K.; Dreesen, O.; Errington, J.; Fillinger, S.; Foster, S. J.; Fujita, Y.; Galizzi, A.; Gardan, R.; Eschevins, C.; Fukushima, T.; Haga, K.; Harwood, C. R.; Hecker, M.; Hosoya, D.; Hullo, M. F.; Kakeshita, H.; Karamata, D.; Kasahara, Y.; Kawamura, F.; Koga, K.; Koski, P.; Kuwana, R.; Imamura, D.; Ishimaru, M.; Ishikawa, S.; Ishio, I.; Le Coq, D.; Masson, A.; Mauel, C.; Meima, R.; Mellado, R. P.; Moir, A.; Moriya, S.; Nagakawa, E.; Nanamiya, H.; Nakai, S.; Nygaard, P.; Ogura, M.; Ohanan, T.; O'Reilly, M.; O'Rourke, M.; Pragai, Z.; Pooley, H. M.; Rapoport, G.; Rawlins, J. P.; Rivas, L. A.; Rivolta, C.; Sadaie, A.; Sadaie, Y.; Sarvas, M.; Sato, T.; Saxild, H. H.; Scanlan, E.; Schumann, W.; Seegers, J. F. M. L.; Sekiguchi, J.; Sekowska, A.; Seror, S. J.; Simon, M.; Stragier, P.; Studer, R.; Takamatsu, H.; Tanaka, T.; Takeuchi, M.; Thomaides, H. B.; Vagner, V.; van Dijl, J. M.; Watabe, K.; Wipat, A.; Yamamoto, H.; Yamamoto, M.; Yamamoto, Y.; Yamane, K.; Yata, K.; Yoshida, K.; Yoshikawa, H.; Zuber, U.; Ogasawara, N. Proc Natl Acad Sci USA 2003, 100, 4678. – reference: Boraston, A. B.; Bolam, D. N.; Gilbert, H. J.; Davies, G. J. Biochem J 2004, 382, 769. – reference: Bursulaya, B. D.; Totrov, M.; Abagyan, R.; Brooks, C. L. J Comput Aid Mol Des 2003, 17, 755. – reference: Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. J Am Chem Soc 1995, 117, 5179. – reference: Zechel, D. L.; Withers, S. G. Acc Chem Res 2000, 33, 11. – reference: Kirschner, K. N.; Woods, R. J. J Phys Chem A 2001, 105, 4150. – reference: Xie, H. F.; Gilbert, H. J.; Charnock, S. J.; Davies, G. J.; Williamson, M. P.; Simpson, P. J.; Raghothama, S.; Fontes, C. M. G. A.; Dias, F. M. V.; Ferreira, L. M. A.; Bolam, D. N. Biochemistry 2001, 40, 9167. – reference: Basma, M.; Sundara, S.; Calgan, D.; Vernali, T.; Woods, R. J. J Comput Chem 2001, 22, 1125. – reference: Mosolova, T. P.; Kalyuzhnyi, S. V.; Varfolomeyev, S. D.; Velikodvorskaya, G. A. Biochemistry (Moscow) 1995, 60, 569. – reference: Dominy, B. N.; Brooks, C. L. J Phys Chem B 1999, 103, 3765. – reference: Boraston, A. B.; Nurizzo, D.; Notenboom, V.; Ducros, V.; Rose, D. R.; Kilburn, D. G.; Davies, G. J. J Mol Biol 2002, 319, 1143. – reference: Izaguirre, J. A.; Catarello, D. P.; Wozniak, J. M.; Skeel, R. D. J Chem Phys 2001, 114, 2090. – reference: Chavez, M. I.; Andreu, C.; Vidal, P.; Aboitiz, N.; Freire, F.; Groves, P.; Asensio, J. L.; Asensio, G.; Muraki, M.; Canada, F. J.; Jimenez-Barbero, J. Chem Eur J 2005, 11, 7060. – reference: Verdonk, M. L.; Cole, J. C.; Hartshorn, M. J.; Murray, C. W.; Taylor, R. D. Proteins 2003, 52, 609. – reference: Asensio, J. L.; Jimenezbarbero, J. Biopolymers 1995, 35, 55. – reference: Rocchia, W.; Sridharan, S.; Nicholls, A.; Alexov, E.; Chiabrera, A.; Honig, B. J Comput Chem 2002, 23, 128. – reference: Rocchia, W.; Alexov, E.; Honig, B. J Phys Chem B 2001, 105, 6507. – volume: 17 start-page: 755 year: 2003 publication-title: J Comput Aid Mol Des – volume: 100 start-page: 4678 year: 2003 publication-title: Proc Natl Acad Sci USA – volume: 65 start-page: 1409 year: 1988 publication-title: Mol Phys – volume: 52 start-page: 609 year: 2003 publication-title: Proteins – volume: 3 start-page: 187 year: 1983 publication-title: J Comput Chem – volume: 33 start-page: 11 year: 2000 publication-title: Acc Chem Res – volume: 279 start-page: 34785 year: 2004 publication-title: J Biol Chem – volume: 22 start-page: 1125 year: 2001 publication-title: J Comput Chem – volume: 40 start-page: 9167 year: 2001 publication-title: Biochemistry – volume: 275 start-page: 2524 year: 2008 publication-title: FEBS J – volume: 114 start-page: 2090 year: 2001 publication-title: J Chem Phys – volume: 103 start-page: 3765 year: 1999 publication-title: J Phys Chem B – volume: 62 start-page: 336 year: 1991 publication-title: Comput Phys Commun – volume: 11 start-page: 665 year: 2003 publication-title: Structure – volume: 326 start-page: 49 year: 2004 publication-title: Anal Biochem – volume: 11 start-page: 7060 year: 2005 publication-title: Chem Eur J – volume: 98 start-page: 10541 year: 2001 publication-title: Proc Natl Acad Sci USA – volume: 60 start-page: 569 year: 1995 publication-title: Biochemistry (Moscow) – volume: 117 start-page: 5179 year: 1995 publication-title: J Am Chem Soc – volume: 382 start-page: 769 year: 2004 publication-title: Biochem J – volume: 23 start-page: 15 year: 2002 publication-title: J Comput Chem – volume: 23 start-page: 128 year: 2002 publication-title: J Comput Chem – volume: 105 start-page: 4150 year: 2001 publication-title: J Phys Chem A – volume: 35 start-page: 55 year: 1995 publication-title: Biopolymers – volume: 105 start-page: 6507 year: 2001 publication-title: J Phys Chem B – volume: 127 start-page: 7379 year: 2005 publication-title: J Am Chem Soc – volume: 26 start-page: 1668 year: 2005 publication-title: J Comput Chem – volume: 319 start-page: 1143 year: 2002 publication-title: J Mol Biol – volume: 267 start-page: 727 year: 1997 publication-title: J Mol Biol – volume: 60 start-page: 569 year: 1995 ident: e_1_2_5_22_2 publication-title: Biochemistry (Moscow) – ident: e_1_2_5_27_2 doi: 10.1111/j.1742-4658.2008.06401.x – ident: e_1_2_5_31_2 doi: 10.1021/bi0106742 – ident: e_1_2_5_7_2 doi: 10.1016/S0022-2836(02)00374-1 – ident: e_1_2_5_10_2 doi: 10.1006/jmbi.1996.0897 – ident: e_1_2_5_14_2 doi: 10.1073/pnas.191362798 – ident: e_1_2_5_3_2 doi: 10.1016/j.ab.2003.11.011 – ident: e_1_2_5_4_2 doi: 10.1021/ar970172 – ident: e_1_2_5_26_2 doi: 10.1002/jcc.1153 – ident: e_1_2_5_25_2 doi: 10.1021/jp010454y – ident: e_1_2_5_9_2 – ident: e_1_2_5_21_2 doi: 10.1063/1.1332996 – ident: e_1_2_5_18_2 doi: 10.1021/ja00124a002 – ident: e_1_2_5_20_2 doi: 10.1080/00268978800101881 – ident: e_1_2_5_5_2 doi: 10.1074/jbc.M405867200 – ident: e_1_2_5_13_2 doi: 10.1021/jp984440c – ident: e_1_2_5_23_2 doi: 10.1002/jcc.20290 – ident: e_1_2_5_11_2 doi: 10.1002/prot.10465 – ident: e_1_2_5_12_2 doi: 10.1002/jcc.540040211 – ident: e_1_2_5_17_2 doi: 10.1002/bip.360350107 – ident: e_1_2_5_8_2 doi: 10.1023/B:JCAM.0000017496.76572.6f – ident: e_1_2_5_29_2 doi: 10.1021/ja051020 – ident: e_1_2_5_16_2 doi: 10.1002/jcc.1072 – ident: e_1_2_5_28_2 doi: 10.1002/chem.200500367 – ident: e_1_2_5_24_2 doi: 10.1002/jcc.1161 – ident: e_1_2_5_30_2 doi: 10.1073/pnas.0730515100 – ident: e_1_2_5_6_2 doi: 10.1016/S0969-2126(03)00100-X – ident: e_1_2_5_15_2 doi: 10.1021/jp004413y – ident: e_1_2_5_19_2 doi: 10.1016/0010-4655(91)90105-T – ident: e_1_2_5_2_2 doi: 10.1042/BJ20040892 |
| SSID | ssj0006367 |
| Score | 1.9388072 |
| Snippet | This article focuses on the molecular determinants that drive the binding and recognition of polysaccharides to the carbohydrate‐binding modules (CBMs) from... |
| SourceID | crossref wiley istex |
| SourceType | Enrichment Source Index Database Publisher |
| StartPage | 2030 |
| SubjectTerms | carbohydrate-binding modules CBM11 MADAMM molecular docking molecular modeling |
| Title | Carbohydrate-binding modules from family 11: Understanding the binding mode of polysaccharides |
| URI | https://api.istex.fr/ark:/67375/WNG-LN0M54HP-X/fulltext.pdf https://onlinelibrary.wiley.com/doi/abs/10.1002%2Fqua.21755 |
| Volume | 108 |
| hasFullText | 1 |
| inHoldings | 1 |
| isFullTextHit | |
| isPrint | |
| link | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwnV3LSsQwFA2iC934Ft8EEXHTsU2btNWVjI6D6CDi4CyEmtykKI5TnQc4rvwEv9EvMUmn4wMFcVO6uGlDkpucG-45F6FNX2-8OpSmjgIdogRSBo7QwFg_lD4eIgiYLQZzWmPVenDcoI0RtFdwYXJ9iOGFm_EMu18bB-eis_MhGvrY4yWNp6khmHs-M7r5B-cf0lHMZ4Nyra4TMjcqVIVcsjNs-eUsGjPD-vQVo9pDpjKFroru5bkld6VeV5Tg-Zty4z_7P40mB-AT7-erZQaNqNYsGi8XNd_m0HWZt0V205dGQOLt5VXcWtILvs9kr6k62JBRcH4ngj1vF9c_U2OwxpL4UwuFsxQ_ZM1-h4Mhd91K1ZlH9crhRbnqDGowOKC9nzpxSDjIQHDFQBAFkZtKAjQEn_sxh5hxSqXHWcB84isaysBTJJYsZgRIqrHAAhptZS21iHAsQxHpaFDwFAwBP5IQS19xlQIBHecsoe1iNhIYCJSbOhnNJJdWJokessQO2RLaGJo-5KocPxlt2SkdWvD2nUljC2lyWTtKTmruKQ2qZ0lD_9hO1O-fSnR4YV-W_266giby3BJzXbOKRrvtnlrTAKYr1u1KfQf8Vu4N |
| linkProvider | Wiley-Blackwell |
| linkToHtml | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwnV1LbxMxEB6V9lAuQHmIQlsshBCXTTde27tb9YJS2gBJhFAjckGuPfaKqiFb8pDanvgJ_Mb-ktrebNoikBCX1R7G-_Bj5pvRzDcArxKneJ0rzSOLzkVhxrBIO2DsLtaZhwyZCM1guj3R7rMPAz5Ygt26Fqbih1gE3PzJCPraH3AfkN6-Zg39MVMNB6g5vwMrzAEN73rtfb4mjxKJmDdsjaNUxFnNKxTT7cXQW9ZoxU_s2W2UGszM_n34Wn9glV1y0phNdQMvfuNu_N8_eAD35viTvK02zBos2dFDWG3Vbd8ewVFLjXX57dx4DonLn7_0cah7Id9LMxvaCfH1KKQKi5Bmc4f0b1bHEAcnyY0RlpQFOS2H5xOFvr7r2NjJY-jvvztstaN5G4YInQLgUZ5ShYZpZQVqajGLC0ORp5ioJFeYC8W5aSrBREITy1PDmpbmRuSCIi0cHHgCy6NyZJ8CyU2qM-cQalWgr8HPDOYmscoWSNG5Ouvwpl4OiXOOct8qYygrdmUq3ZTJMGXr8HIheloRc_xJ6HVY04WEGp_4TLaUyy-9A9npxV3O2p_kwL04rNTfHyWdhxFunv276AtYbR92O7LzvvfxOdytUk189GYDlqfjmd10eGaqt8K2vQLe9PIs |
| linkToPdf | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwnV1fb9MwED-NTQJeGH_FYICFEOIlXevYTsOeUKEU2KoJUdGHScY-O2JaaUr_SIwnPsI-I5-Es9N0GwIJ8RJFyjlxbJ_9u9Pd7wCepLTxkiktE49kogjnRGIJGNPF0_HQRqFiMZj9vuoNxNuhHK7Bbp0LU_FDrBxuQTPifh0UfOKKnTPS0K8L0yA8LeUl2BCKkERARO_PuKNUqpb1WptJRs9rWqEm31k1vXAYbYRx_XYRpMZTprsJh3X_quCS48Zibhv4_Tfqxv_8getwbYk-2YtqudyANT--CVc6ddG3W_CpY6a2_HziAoPEzx-n9ihmvbAvpVuM_IyFbBRWOUVYq_WcDc7nxjACk-xcC8_Kgk3K0cnMYMjuOnJ-dhsG3VcfOr1kWYQhQVJ_meQZN-iENV6h5R7bzcJxlBmmJs0N5spI6VpGCZXy1MvMiZbnuVO54sgLAgN3YH1cjv1dYLnLbJvMQWsKDBn4bYe5S73xBXIkQ2cLntWzoXHJUB4KZYx0xa3MNQ2ZjkO2BY9XopOKluNPQk_jlK4kzPQ4xLFlUn_sv9Z7_ea-FL0DPaQPx4n6-6s02Rfx5t6_iz6Cywcvu3rvTf_dfbhaxZkE1802rM-nC_-AwMzcPoyL9hcfFfDb |
| openUrl | ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Carbohydrate-binding+modules+from+family+11%3A+Understanding+the+binding+mode+of+polysaccharides&rft.jtitle=International+journal+of+quantum+chemistry&rft.au=Br%C3%A1s%2C+N.+F.&rft.au=Cerqueira%2C+N.+M.+F.+S.+A.&rft.au=Fernandes%2C+P.+A.&rft.au=Ramos%2C+M.+J.&rft.date=2008&rft.pub=Wiley+Subscription+Services%2C+Inc.%2C+A+Wiley+Company&rft.issn=0020-7608&rft.eissn=1097-461X&rft.volume=108&rft.issue=11&rft.spage=2030&rft.epage=2040&rft_id=info:doi/10.1002%2Fqua.21755&rft.externalDBID=n%2Fa&rft.externalDocID=ark_67375_WNG_LN0M54HP_X |
| thumbnail_l | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=0020-7608&client=summon |
| thumbnail_m | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=0020-7608&client=summon |
| thumbnail_s | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=0020-7608&client=summon |