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Structure of PDB 1kwf Chain A Binding Site BS01

Receptor Information
>1kwf Chain A (length=363) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGVPFNTKYPYGPTSIADNQSEVTAMLKAEWEDWKSKRITSNGAGGYKRV
QRDASTNYDTVSQGMGYGLLLAVCFNEQALFDDLYRYVKSHFNGNGLMHW
HIDANNNVTSHDGGDGAATDADEDIALALIFADKLWGSSGAINYGQEART
LINNLYNHCVEHGSYVLKPGDRWGGSSVTNPSYFAPAWYKVYAQYTGDTR
WNQVADKCYQIVEEVKKYNNGTGLVPDWCTASGTPASGQSYDYKYDATRY
GWRTAVDYSWFGDQRAKANCDMLTKFFARDGAKGIVDGYTIQGSKISNNH
NASFIGPVAAASMTGYDLNFAKELYRETVAVKDSEYYGYYGNSLRLLTLL
YITGNFPNPLSDL
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 chain1kwf 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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PDB1kwf Atomic (0.94 A) resolution structure of an inverting glycosidase in complex with substrate.
Resolution0.94 Å
Binding residue
(original residue number in PDB)		R84 Q95 Y277 D278 Y372
Binding residue
(residue number reindexed from 1)		R52 Q63 Y245 D246 Y340
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:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1kwf, PDBe:1kwf, PDBj:1kwf
PDBsum1kwf
PubMed11884144
UniProtA3DC29|GUNA_ACET2 Endoglucanase A (Gene Name=celA)

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