Structure of PDB 2fgy Chain A Binding Site BS01

Receptor Information
>2fgy Chain A (length=471) Species: 927 (Halothiobacillus neapolitanus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPACITLPERTCRHPLTDLEANEQLGRCEDSVKNRFDRVIPFLQVVAGIP
LGLDHVTRVQELAQSSLGHTLPEELLKDNWISGHNLKGIFGYATAKALTA
ATEQFSRDDSASAIGFFLDCGFHAVDISPCADGRLKGLLPYILRLPLTAF
TYRKAYAGSMFDIEDDLAQWEKNELRRYREGVPNTADQPTRYLKIAVYHF
STSDPTHSGCAAHGSNDRAALEAALTQLMKFREAVENAHCCGASIDILLI
GVDTDTDAIRVHIPDSKGFLNPYRYVDNTVTYAQTLHLAPDEARVIIHEA
ILNANRSDGWAKGNGVASEGMRRFIGQLLINNLSQIDYVVNRHGGRYPPN
DIGHAERYISVGDGFDEVQIRNLAYYAHLDTVEENAIDVDVGITIFTKLN
LSRGLPIPIAIHYRYDPNVPGSRERTVVKARRIYNAIKERFSSLDEQNLL
QFRLSVQAQDIGSPIEEVASA
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 chain2fgy Chain A Residue 620 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2fgy The Structure of beta-carbonic anhydrase from the carboxysomal shell reveals a distinct subclass with one active site for the price of two.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C173 H242 C253
Binding residue
(residue number reindexed from 1)		C130 H199 C210
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0015977 carbon fixation
Cellular Component
GO:0031470 carboxysome

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2fgy, PDBe:2fgy, PDBj:2fgy
PDBsum2fgy
PubMed16407248
UniProtO85042|CSOCA_HALNC Carboxysome shell carbonic anhydrase (Gene Name=csoS3)

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