Structure of PDB 7ca0 Chain A Binding Site BS02

Receptor Information
>7ca0 Chain A (length=364) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQEIDLGLTCDMHVHVREGAMCELVTPKIRDGGVSIAYIMPNLQPPITTL
DRVIEYKKTLQKLAPKTTFLMSFYLSKDLTPDLIHEAAQQHAIRGVKCYP
AGVTTNSAAGVDPNDFSAFYPIFKAMQEENLVLNLHGEKPSVHDGDKEPI
HVLNAEEAFLPALKKLHNDFPNLKIILEHCTSESAIKTIEDINKNVKKAT
DVKVAATLTAHHLFLTIDDWAGNPVNFCKPVAKLPNDKKALVKAAVSGKP
YFFFGSDSAPHPVQNKANYEGVCAGVYSQSFAIPYIAQVFEEQNALENLK
GFVSDFGISFYEVKDSEVASSDKAILFKKEQVIPQVISDGKDISIIPFKA
GDKLSWSVRWEPRL
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 chain7ca0 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ca0 Complexed Crystal Structure of Saccharomyces cerevisiae Dihydroorotase with Inhibitor 5-Fluoroorotate Reveals a New Binding Mode.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K98 H137 H180
Binding residue
(residue number reindexed from 1)		K97 H136 H179
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.2.3: dihydroorotase.
Gene Ontology
Molecular Function
GO:0004151 dihydroorotase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016812 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides
GO:0046872 metal ion binding
Biological Process
GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0019856 pyrimidine nucleobase biosynthetic process
GO:0044205 'de novo' UMP biosynthetic process
Cellular Component
GO:0005634 nucleus
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:7ca0, PDBe:7ca0, PDBj:7ca0
PDBsum7ca0
PubMed34630544
UniProtP20051|PYRC_YEAST Dihydroorotase (Gene Name=URA4)

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