Structure of PDB 3amq Chain A Binding Site BS03

Receptor Information
>3amq Chain A (length=257) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVLMTKPGTSDFVWNGIPLSMELNLWNIKEYSGSVAMKFDGEKITFDADI
QNLSPKEPERYVLGYPEFYYGYKPWENHTAEGSKLPVPVSSMKSFSVEVS
FDIHHEPSLPLNFAMETWLTREKYQTEASIGDVCIMVWFYFNNLTPGGEK
IEEFTIPFVLNGESVEGTWELWLAEWGWDYLAFRLKDPVKKGRVKFDVRH
FLDAAGKALSSSARVKDFEDLYFTVWEIGTEFGSPETKSAQFGWKFENFS
IDLEVRE
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 chain3amq Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3amq Crystal structure and substrate-binding mode of cellulase 12A from Thermotoga maritima
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R60 W138 T145 G147 Y180 E231
Binding residue
(residue number reindexed from 1)		R60 W138 T145 G147 Y180 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:3amq, PDBe:3amq, PDBj:3amq
PDBsum3amq
PubMed21268113
UniProtQ60032

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