Structure of PDB 6im3 Chain A Binding Site BS03

Receptor Information
>6im3 Chain A (length=222) Species: 123214 (Persephonella marina EX-H1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GWSYHGEHGPEHWGDLKDEYIMCKIGKNQSPVDINRIVDAKLKPIKIEYR
AGATKVLNNGHTIKVSYEPGSYIVVDGIKFELKQFHFHAPSEHKLKGQHY
PFEAHFVHADKHGNLAVIGVFFKEGRENPILEKIWKVMPENAGEEVKLAH
KINAEDLLPKDRDYYRYSGSLTTPPCSEGVRWIVMEEEMEMSKEQIEKFR
KIMGGDTNRPVQPLNARMIMEK
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 chain6im3 Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6im3 Crystal Structure of a Highly Thermostable alpha-Carbonic Anhydrase from Persephonella marina EX-H1.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E207 E242
Binding residue
(residue number reindexed from 1)		E186 E221
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H82 H107 H109 E113 H126 T193
Catalytic site (residue number reindexed from 1) H61 H86 H88 E92 H105 T172
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:6im3, PDBe:6im3, PDBj:6im3
PDBsum6im3
PubMed31250619
UniProtC0QRB5

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