Structure of PDB 1dmy Chain B Binding Site BS02

Receptor Information
>1dmy Chain B (length=237) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTRQSPINIQWKDSVYDPQLAPLRVSYDAASCRYLWNTGYFFQVEFDDSC
EDSGISGGPLGNHYRLKQFHFHWGATDEWGSEHAVDGHTYPAELHLVHWN
STKYENYKKASVGENGLAVIGVFLKLGAHHQALQKLVDVLPEVRHKDTQV
AMGPFDPSCLMPACRDYWTYPGSLTTPPLAESVTWIVQKTPVEVSPSQLS
MFRTLLFSGRGEEEDVMVNNYRPLQPLRDRKLRSSFR
Ligand information
Ligand IDAZM
InChIInChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
InChIKeyBZKPWHYZMXOIDC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)Nc1nnc(s1)S(=O)(=O)N
CACTVS 3.341CC(=O)Nc1sc(nn1)[S](N)(=O)=O
ACDLabs 10.04O=S(=O)(c1nnc(s1)NC(=O)C)N
FormulaC4 H6 N4 O3 S2
Name5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE
ChEMBLCHEMBL20
DrugBankDB00819
ZINCZINC000003813042
PDB chain1dmy Chain B Residue 900 [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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PDB1dmy Structure determination of murine mitochondrial carbonic anhydrase V at 2.45-A resolution: implications for catalytic proton transfer and inhibitor design.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		H94 Y131 L198 T199 T200
Binding residue
(residue number reindexed from 1)		H70 Y107 L174 T175 T176
Annotation score1
Binding affinityBindingDB: Ki=60nM
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:1dmy, PDBe:1dmy, PDBj:1dmy
PDBsum1dmy
PubMed7479916
UniProtP23589|CAH5A_MOUSE Carbonic anhydrase 5A, mitochondrial (Gene Name=Ca5a)

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