Structure of PDB 6im3 Chain F Binding Site BS04

Receptor Information
>6im3 Chain F (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 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 chain6im3 Chain F Residue 302 [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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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)		H107 V128 L192 T193 T194
Binding residue
(residue number reindexed from 1)		H86 V107 L171 T172 T173
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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