Structure of PDB 4xwn Chain A Binding Site BS04

Receptor Information
>4xwn Chain A (length=633) Species: 1493 (Clostridium cellulovorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVVPNNEYVQHFKDMYAKIHNANNGYFSDEGIPYHAVETLMVEAPDYGHE
TTSEAFSYYMWLEAMNAKLTGDFSGFKKAWDVTEKYIIPGETDQPSASMS
NYDPNKPATYAAEHPDPSMYPSQLQFGAAVGKDPLYNELKSTYGTSQVYG
MHWLLDVDNWYGFGGATSTSPVYINTFQRGVQESCWETVPQPCKDEMKYG
GRNGFLDLFTGDSQYATQFKYTNAPDADARAVQATYYAQLAAKEWGVDIS
SYVAKSTKMGDFLRYSFFDKYFRKVGNSTQAGTGYDSAQYLLNWYYAWGG
GISSNWSWRIGSSHNHFGYQNPMAAWILSNTSDFKPKSPNAATDWNNSLK
RQIEFYQWLQSAEGGIAGGASNSNGGSYQAWPAGTRTFYGMGYTPHPVYE
DPGSNEWFGMQAWSMQRVAEYYYSSKDPAAKSLLDKWAKWACANVQFDDA
AKKFKIPAKLVWTGQPDTWTGSYTGNSNLHVKVEAYGEDLGVAGSLSNAL
SYYAKALESSTDAADKVAYNTAKETSRKILDYLWASYQDDKGIAVTETRN
DFKRFNQSVYIPSGWTGKMPNGDVIQSGATFLSIRSKYKQDPSWPNVEAA
LANGTGVDMTYHRFWGQSDIAIAFGTYGTLFTD
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain4xwn Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4xwn Structures of exoglucanase from Clostridium cellulovorans: cellotetraose binding and cleavage
Resolution2.884 Å
Binding residue
(original residue number in PDB)		N171 F173 T218 Y291 Y395
Binding residue
(residue number reindexed from 1)		N175 F177 T222 Y295 Y399
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.91: cellulose 1,4-beta-cellobiosidase (non-reducing end).
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008810 cellulase activity
GO:0016162 cellulose 1,4-beta-cellobiosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4xwn, PDBe:4xwn, PDBj:4xwn
PDBsum4xwn
PubMed26457517
UniProtO65986

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