Structure of PDB 5cxk Chain C Binding Site BS01

Receptor Information
>5cxk Chain C (length=222) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPEIKQLFENNSKWSASIKAETPEYFAKLAKGQNPDFLWIGCADSRVPAE
RLTGLYSGELFVHRNVANQVIHTDLNCLSVVQYAVDVLQVKHIIVCGHYG
CGGVTAAIDNPQLGLINNWLLHIRDYYLKHREYLDKMPAEDRSDKLAEIN
VAEQVYNLANSTVLQNAWERGQAVEVHGFVYGIEDGRLEYLGVRCASRSA
VEDNYHKALEKILNPNHRLLCR
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 chain5cxk Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5cxk Crystal structure and kinetic studies of a tetrameric type II beta-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae.
Resolution1.9 Å
Binding residue
(original residue number in PDB)
C42 D44 H98 C101
Binding residue
(residue number reindexed from 1)
C42 D44 H98 C101
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C42 D44 R46 H98 C101
Catalytic site (residue number reindexed from 1) C42 D44 R46 H98 C101
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

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Molecular Function

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Biological Process
External links
PDB RCSB:5cxk, PDBe:5cxk, PDBj:5cxk
PDBsum5cxk
PubMed26627652
UniProtA0A086SLX8

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