Structure of PDB 3vof Chain A Binding Site BS01

Receptor Information
>3vof Chain A (length=372) Species: 5346 (Coprinopsis cinerea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVNPYIGRSPLVIKSYAEKLEETIAYFEAQGDELNAARTRTVQGIPTFAW
ISDSATIDTIQPLIADAVAHQEASGEQVLVQLVIYNLPDRACAAKASDGE
FHLDDDGANKYRAYVDRIVAELSTADADKLHFSIVLEPDSLGNMVTNMHV
PKCQGAATAYKEGIAYTIASLQKPNIDLYIDAAHGGWLGWNDNLRPSAEI
FKETLDLARQITPNATVRGLAINVSNYNPYKTRAREDYTEWNNAYDEWNY
VKTLTPHLQAVGFPAQFIVDQGRSGREGIRTEWGQWCNIRNAGFGIRPTT
DQAIVDSANVDAIVWVKPGGESDGTSDVNAVRFDENCRSPASHVPAPEAG
EWFNEFVVNLVINANPPLEPTY
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 chain3vof Chain A Residue 1001 [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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PDB3vof Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C
Resolution1.6 Å
Binding residue
(original residue number in PDB)		W61 S63 Y96 S108 K328 E332 G361
Binding residue
(residue number reindexed from 1)		W50 S52 Y85 S97 K317 E321 G350
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y96 R101 A102 S108 D150 D334
Catalytic site (residue number reindexed from 1) Y85 R90 A91 S97 D139 D323
Enzyme Commision number 3.2.1.-
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0030245 cellulose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3vof, PDBe:3vof, PDBj:3vof
PDBsum3vof
PubMed22429290
UniProtB7X9Z2

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