Structure of PDB 7f82 Chain C Binding Site BS05

Receptor Information
>7f82 Chain C (length=338) Species: 627196 (Enterobacter sp. CJF-002) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CTWPAWEHFKRAYISDGGRVIDPSDARKITTSEGQSYALFFALAADDRPM
FDNVLEWTKDNLAQGDPGEHLPAWLWGKKDENNWTVLDSNSASDADIWIA
WSLLEAGRLWKEARYTTLGNALLNRIAKEEVVTVPGLGPMLLPGKVGFAE
ETVWRLNPSYLPPQIARYLTRFGEPWTTLQETNHRLLLETAPKGFSPDWV
RYEKSKGWQLAPDKTLISGYAAIRVYLWVGMMNDHDAQKASLLERLKPMA
ALTAKKGVVPEKVDVATAQPRGDGPVGFAAALLPFLQDRDAQAVQRQKVA
DHFPGDDAYFSYVLTLFGQGWDEHRFRFTPRGELQPDW
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 chain7f82 Chain L Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7f82 Structural snapshot of a glycoside hydrolase family 8 endo-beta-1,4-glucanase capturing the state after cleavage of the scissile bond.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		E54 W95 A113 D115 Y181
Binding residue
(residue number reindexed from 1)		E33 W74 A92 D94 Y160
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.-
3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008810 cellulase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7f82, PDBe:7f82, PDBj:7f82
PDBsum7f82
PubMed
UniProtK0IUV6

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