Structure of PDB 3amp Chain B Binding Site BS04

Receptor Information
>3amp Chain B (length=255) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLMTKPGTSDFVWNGIPLSMELNLWNIKEYSGSVAMKFDGEKITFDADIQ
NLSPKEPERYVLGYPEFYYGYKPWENHTAEGSKLPVPVSSMKSFSVEVSF
DIHHEPSLPLNFAMETWLTREKYQTEASIGDVCIMVWFYFNNLTPGGEKI
EEFTIPFVLNGESVEGTWELWLAEWGWDYLAFRLKDPVKKGRVKFDVRHF
LDAAGKALSSSARVKDFEDLYFTVWEIGTEFGSPETKSAQFGWKFENFSI
DLEVR
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 chain3amp Chain F Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3amp Crystal structure and substrate-binding mode of cellulase 12A from Thermotoga maritima
Resolution1.78 Å
Binding residue
(original residue number in PDB)		R60 W138 T145 Y180 E231
Binding residue
(residue number reindexed from 1)		R59 W137 T144 Y179 E230
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

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Molecular Function
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Biological Process
External links
PDB RCSB:3amp, PDBe:3amp, PDBj:3amp
PDBsum3amp
PubMed21268113
UniProtQ60032

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