Structure of PDB 1keq Chain A Binding Site BS02

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 ID4MZ
InChIInChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)
InChIKeyXLSZMDLNRCVEIJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n1c(cnc1)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		Cc1c[nH]cn1
FormulaC4 H6 N2
Name4-METHYLIMIDAZOLE
ChEMBLCHEMBL1230309
DrugBankDB03385
ZINCZINC000008283845
PDB chain1keq Chain A Residue 350 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		Q92 C131 S135
Binding residue
(residue number reindexed from 1)		Q68 C107 S111
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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