Structure of PDB 3ou9 Chain A Binding Site BS02

Receptor Information
>3ou9 Chain A (length=205) Species: 2210 (Methanosarcina thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNIRENPVTPFNPEPSAPVIDPTAYIDPQASVIGEVTIGANVMVSPMASI
RSDEGMPIFVGDRSNVQDGVVLHALETINEEGEPIEDNIVEVDGKEYAVY
IGNNVSLAHQSQVHGPAAVGDDTFIGMQAFVFKSKVGNNCVLEPRSAAIG
VTIPDGRYIPAGMVVTSQAEADKLPEVTDDYAYSHTNEAVVYVNVHLAEG
YKETS
Ligand information
Ligand IDBCT
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)(O)[O-]
CACTVS 3.341OC([O-])=O
ACDLabs 10.04[O-]C(=O)O
FormulaC H O3
NameBICARBONATE ION
ChEMBL
DrugBank
ZINC
PDB chain3ou9 Chain A Residue 215 [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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PDB3ou9 Crystal structure of gamma-carbonic anhydrase W19F mutant from Methanosarcina thermophila
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E62 H81 H122
Binding residue
(residue number reindexed from 1)		E54 H73 H114
Annotation score5
Binding affinityBindingDB: Ki=42000000nM
Enzymatic activity
Catalytic site (original residue number in PDB) E62 Q75 H81 E84 H117 H122 N202
Catalytic site (residue number reindexed from 1) E54 Q67 H73 E76 H109 H114 N194
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0043199 sulfate binding
GO:0046872 metal ion binding
GO:0050897 cobalt ion binding
GO:0071890 bicarbonate binding
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:3ou9, PDBe:3ou9, PDBj:3ou9
PDBsum3ou9
PubMed
UniProtP40881|CAH_METTT Carbonic anhydrase (Gene Name=MSTHT_0588)

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