Structure of PDB 1keq Chain A Binding Site BS01

Receptor Information
>1keq Chain A (length=238) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTRQSPINIQWKDSVYDPQLAPLRVSYDAASCRYLWNTGYAFQVEFDDSC
EDSGISGGPLGNHYRLKQFHFHWGATDEWGSEHAVDGHTYPAELHLVHWN
STKYENCKKASVGENGLAVIGVFLKLGAHHQALQKLVDVLPEVRHKDTQV
AMGPFDPSCLMPACRDYWTYPGSLTTPPLAESVTWIVQKTPVEVSPSQLS
MFRTLLFSGRGEEEDVMVNNYRPLQPLRDRKLRSSFRL
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 chain1keq Chain A Residue 280 [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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PDB1keq Crystal structure of F65A/Y131C-methylimidazole carbonic anhydrase V reveals architectural features of an engineered proton shuttle.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		H94 H96 H119
Binding residue
(residue number reindexed from 1)		H70 H72 H95
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y64 H94 H96 E106 H119 T199
Catalytic site (residue number reindexed from 1) Y40 H70 H72 E82 H95 T175
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:1keq, PDBe:1keq, PDBj:1keq
PDBsum1keq
PubMed11851394
UniProtP23589|CAH5A_MOUSE Carbonic anhydrase 5A, mitochondrial (Gene Name=Ca5a)

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