Structure of PDB 1g5c Chain A Binding Site BS01

Receptor Information
>1g5c Chain A (length=169) Species: 145262 (Methanothermobacter thermautotrophicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIKDILRENQDFRFRDLSDLKHSPKLCIITCMDSRLIDLLERALGIGRGD
AKVIKNAGNIVDDGVIRSAAVAIYALGDNEIIIVGHTDCGMARLDEDLIV
SRMRELGVEEEVIENFSIDVLNPVGDEEENVIEGVKRLKSSPLIPESIGV
HGLIIDINTGRLKPLYLDE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1g5c Chain A Residue 1001 [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)		C32 H87 C90
Binding residue
(residue number reindexed from 1)		C31 H86 C89
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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