Structure of PDB 6jqd Chain B Binding Site BS01

Receptor Information
>6jqd Chain B (length=164) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTNVADIEAANAQYAAAFTKGHLPGPPKRKLAVVTCMDARIDVFSVLGLT
EGDAHVIRNAGGRASEALRSLIISQRLGGTEEVVVIHHTDCGMLTFSDED
IRAKIREELGEDASDIKFLPFRDLEASVREDVRFLRGSRLVQGNVTGYVY
EVERGRLVRLDVSD
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 chain6jqd Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jqd The structural basis of the low catalytic activities of the two minor beta-carbonic anhydrases of the filamentous fungus Aspergillus fumigatus.
Resolution1.69 Å
Binding residue
(original residue number in PDB)		C36 H88 C91
Binding residue
(residue number reindexed from 1)		C36 H88 C91
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:0008150 biological_process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6jqd, PDBe:6jqd, PDBj:6jqd
PDBsum6jqd
PubMed31376470
UniProtQ4WPJ0

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