Structure of PDB 7coj Chain B Binding Site BS03

Receptor Information
>7coj Chain B (length=209) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDKFSAALAKNKEWAAKCSQEHPELLPTLAVGQHPEILWIGCSDSRCPET
TILGLLPGDVFTHRNIANVIHPADLSSGAVIEFAVRHLRVKHVVICGHTK
CGGVAAALGNKGLGILDPWLIPLRQLREQHLAELQSLSRDEAVVRLAELN
VKEGLKALTQKSVVLEAMQERGLQVHGLIYDVGSGFLRQLDAAEPEEALK
ARLTSFKTD
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 B 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)		C119 D121 H175 G179 G180 L193
Binding residue
(residue number reindexed from 1)		C42 D44 H98 G102 G103 L116
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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