Structure of PDB 7coj Chain D Binding Site BS01

Receptor Information
>7coj Chain D (length=209) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKFSAALAKNKEWAAKCSQEHPELLPTLAVGQHPEILWIGCSDSRCPETT
ILGLLPGDVFTHRNIANVIHPADLSSGAVIEFAVRHLRVKHVVICGHTKC
GGVAAALGNKGLGILDPWLIPLRQLREQHLAELQSLSRDEAVVRLAELNV
KEGLKALTQKSVVLEAMQERGLQVHGLIYDVGSGFLRQLDAAEPEEALKA
RLTSFKTDA
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 chain7coj Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7coj Crystal Structure of beta-Carbonic Anhydrase CafA from the Fungal Pathogen Aspergillus fumigatus .
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F138 F160
Binding residue
(residue number reindexed from 1)		F60 F82
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0015976 carbon utilization
GO:0034599 cellular response to oxidative stress
GO:0071244 cellular response to carbon dioxide
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7coj, PDBe:7coj, PDBj:7coj
PDBsum7coj
PubMed32975213
UniProtQ4WQ18

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