Structure of PDB 3vhn Chain C Binding Site BS01

Receptor Information
>3vhn Chain C (length=256) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVLMTKPGTSDFVWNGIPLSMELNLWNIKEYSGSVAMKFDGEKITFDADI
QNLSPKEPERGVLGYPEFYYGYKPWENHTAEGSKLPVPVSSMKSFSVEVS
FDIHHEPSLPLNFAMETWLTREKYQTEASIGDVEIMVWFYFNNLTPGGEK
IEEFTIPFVLNGESVEGTWELWLAEWGWDYLAFRLKDPVKKGRVKFDVRH
FLDAAGKALSSSARVKDFEDLYFTVWEIGTEFGSPETKSAQFGWKFENFS
IDLEVR
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 chain3vhn Chain K Residue 1 [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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PDB3vhn Enhanced activity of Thermotoga maritima cellulase 12A by mutating a unique surface loop
Resolution2.5 Å
Binding residue
(original residue number in PDB)		W26 R60 Y65 W118 E134 W178 E231
Binding residue
(residue number reindexed from 1)		W26 R60 Y65 W118 E134 W178 E231
Annotation score4
Enzymatic activity
Enzyme Commision number 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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3vhn, PDBe:3vhn, PDBj:3vhn
PDBsum3vhn
PubMed22170108
UniProtQ60032

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