Structure of PDB 1g5c Chain F Binding Site BS03

Receptor Information
>1g5c Chain F (length=155) Species: 145262 (Methanothermobacter thermautotrophicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIKDILRENPKLCIITCMDSRLIDLLERALGIGRGDAKVIKNAGNIVDDG
VIRSAAVAIYALGDNEIIIVGHTDCGMARLDEDLIVSRMRELGVEEEVIE
NFSIDVLNPVGDEEENVIEGVKRLKSSPLIPESIGVHGLIIDINTGRLKP
LYLDE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1g5c Chain F Residue 1009 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1g5c Crystal structure of the "cab"-type beta class carbonic anhydrase from the archaeon Methanobacterium thermoautotrophicum.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E97 S118 V121
Binding residue
(residue number reindexed from 1)		E82 S103 V106
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1g5c, PDBe:1g5c, PDBj:1g5c
PDBsum1g5c
PubMed11096105
UniProtQ50565

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