Structure of PDB 6jqe Chain A Binding Site BS01

Receptor Information
>6jqe Chain A (length=171) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YQLQPLSLDSVPWRRQPGQQVLWIGCSDSGCDELESSGLPADEIFEYRSL
GNMMVDDLSCKATLGYALDSLKIRNIVICGHYGCHIASGEVNAGLQKPWS
SVLDTLRSTHRRTLDSLTGTERDRALVELNVLEQVHSLRQSAEAAEALQK
QQLNIWGMVYDKATKRGYQLI
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6jqe Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jqe The structural basis of the low catalytic activities of the two minor beta-carbonic anhydrases of the filamentous fungus Aspergillus fumigatus.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C34 D36 H89 C92
Binding residue
(residue number reindexed from 1)		C26 D28 H81 C84
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: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:6jqe, PDBe:6jqe, PDBj:6jqe
PDBsum6jqe
PubMed31376470
UniProtA4DA31

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