Structure of PDB 7ca0 Chain D Binding Site BS03

Receptor Information
>7ca0 Chain D (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 IDFOT
InChIInChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)
InChIKeySEHFUALWMUWDKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(=C(NC(=O)NC1=O)C(=O)O)F
ACDLabs 10.04O=C(O)C1=C(F)C(=O)NC(=O)N1
CACTVS 3.341OC(=O)C1=C(F)C(=O)NC(=O)N1
FormulaC5 H3 F N2 O4
Name5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID;
5-FLUOROOROTIC ACID
ChEMBLCHEMBL1232805
DrugBank
ZINCZINC000001663959
PDB chain7ca0 Chain D Residue 403 [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)		H16 R18 N43 K98 T105 T106 H137 D258 A275 G276
Binding residue
(residue number reindexed from 1)		H15 R17 N42 K97 T104 T105 H136 D257 A274 G275
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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