Structure of PDB 4xwm Chain A Binding Site BS02

Receptor Information
>4xwm Chain A (length=630) Species: 1493 (Clostridium cellulovorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPNNEYVQHFKDMYAKIHNANNGYFSDEGIPYHAVETLMVEAPDYGHETT
SEAFSYYMWLEAMNAKLTGDFSGFKKAWDVTEKYIIPGETDQPSASMSNY
DPNKPATYAAEHPDPSMYPSQLQFGAAVGKDPLYNELKSTYGTSQVYGMH
WLLDVDNWYGFGGATSTSPVYINTFQRGVQESCWETVPQPCKDEMKYGGR
NGFLDLFTGDSQYATQFKYTNAPDADARAVQATYYAQLAAKEWGVDISSY
VAKSTKMGDFLRYSFFDKYFRKVGNSTQAGTGYDSAQYLLNWYYAWGGGI
SSNWSWRIGSSHNHFGYQNPMAAWILSNTSDFKPKSPNAATDWNNSLKRQ
IEFYQWLQSAEGGIAGGASNSNGGSYQAWPAGTRTFYGMGYTPHPVYEDP
GSNEWFGMQAWSMQRVAEYYYSSKDPAAKSLLDKWAKWACANVQFDDAAK
KFKIPAKLVWTGQPDTWTGSYTGNSNLHVKVEAYGEDLGVAGSLSNALSY
YAKALESSTDAADKVAYNTAKETSRKILDYLWASYQDDKGIAVTETRNDF
KRFNQSVYIPSGWTGKMPNGDVIQSGATFLSIRSKYKQDPSWPNVEAALA
NGTGVDMTYHRFWGQSDIAIAFGTYGTLFT
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 chain4xwm Chain B 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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PDB4xwm Structures of exoglucanase from Clostridium cellulovorans: cellotetraose binding and cleavage
Resolution1.703 Å
Binding residue
(original residue number in PDB)		H31 E39 E50 W403 W409 W611
Binding residue
(residue number reindexed from 1)		H33 E41 E52 W405 W411 W613
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:4xwm, PDBe:4xwm, PDBj:4xwm
PDBsum4xwm
PubMed26457517
UniProtO65986

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