Structure of PDB 1oc5 Chain A Binding Site BS02

Receptor Information
>1oc5 Chain A (length=364) Species: 34413 (Humicola insolens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APYNGNPFEGVQLWANNYYRSEVHTLAIPQITDPALRAAASAVAEVPSFQ
WLDRNVTVDTLLVQTLSEIREANQAGANPQYAAQIVVYDLPDRDCAAAAS
NGEWAIANNGVNNYKAYINRIREILISFSDVRTILVIEPDSLANMVTNMN
VPKCSGAASTYRELTIYALKQLDLPHVAMYMDAGHAGWLGWPANIQPAAE
LFAKIYEDAGKPRAVRGLATNVANYNAWSVSSPPPYTSPNPNYDEKHYIE
AFRPLLEARGFPAQFIVDQGRSGKQPTGQKEWGHWCNAIGTGFGMRPTAN
TGHQYVDAFVWVKPGGECNGTSDTTAARYDYHCGLEDALKPAPEAGQWFN
EYFIQLLRNANPPF
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 chain1oc5 Chain B Residue 4 [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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PDB1oc5 Structural Basis for Ligand Binding and Processivity in Cellobiohydrolase Cel6A from Humicola Insolens
Resolution1.7 Å
Binding residue
(original residue number in PDB)		A183 W371
Binding residue
(residue number reindexed from 1)		A97 W285
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y174 R179 D180 S186 D226 N405
Catalytic site (residue number reindexed from 1) Y88 R93 D94 S100 D140 N319
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
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:1oc5, PDBe:1oc5, PDBj:1oc5
PDBsum1oc5
PubMed12842048
UniProtQ9C1S9|GUX6_HUMIN Exoglucanase-6A (Gene Name=cel6A)

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