Structure of PDB 6gwu Chain A Binding Site BS01

Receptor Information
>6gwu Chain A (length=208) Species: 5476 (Candida albicans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFPFTLSSESTLQDFLNNNKFFVDSIKHNHGNQIFDLNGQGQSPHTLWIG
CSDSRAGDQCLATLPGEIFVHRNIANIVNANDISSQGVIQFAIDVLKVKK
IIVCGHTDCGGIWASLSKKKIGGVLDLWLNPVRHIRAANLKLLEEYNQDP
KLKAKKLAELNVISSVTALKRHPSASVALKKNEIEVWGMLYDVATGYLSQ
VEIPQDEF
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 chain6gwu Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6gwu Crystal structure of carbonic anhydrase CaNce103p from the pathogenic yeast Candida albicans.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C76 H131 C134
Binding residue
(residue number reindexed from 1)		C51 H106 C109
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
Biological Process
GO:0015976 carbon utilization

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Molecular Function
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Biological Process
External links
PDB RCSB:6gwu, PDBe:6gwu, PDBj:6gwu
PDBsum6gwu
PubMed30367660
UniProtQ5AJ71|CAN_CANAL Carbonic anhydrase (Gene Name=NCE103)

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