Structure of PDB 6wqv Chain D Binding Site BS02

Receptor Information
>6wqv Chain D (length=344) Species: 1161942 (Ruminococcus champanellensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRDLTASQLLDEITIGWNLGNTLDATTTSWLPNPTPAQSETAWGCPMTTK
AMIDKVKEGGFNTVRVPVSWIDHTGSAPEYQIDEAWMNRVQEVVNYVIDN
DMYCILNIHHENDWLIPTNAQKDSVNARLDAIWTQIATRFGSYDEHLIFE
GMNQPRLVGDPNEWNGGNQEARQVINSYNQTFVNTVRATGGNNAIRCLMV
PTYAASCSSTTVNDFVLPTDTVANKLIVDIHSYSPYNFALNTSGTSSFTQ
SDISQLQWTLQEIYNSFGAKGIPVIIGQFGALNKNNINGRVLWGENYLRI
AKSYNIRCIWWDNNAFDTSGENFGLLNRGTLTWQYPELLEAMMK
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 chain6wqv Chain H 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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PDB6wqv A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		N31 W53 W321 N323 E331
Binding residue
(residue number reindexed from 1)		N21 W43 W311 N313 E321
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0000272 polysaccharide catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6wqv, PDBe:6wqv, PDBj:6wqv
PDBsum6wqv
PubMed33454012
UniProtD4LAX7

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