Structure of PDB 4lfy Chain A Binding Site BS03

Receptor Information
>4lfy Chain A (length=349) Species: 216591 (Burkholderia cenocepacia J2315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPMTASNSPATLSLARPDDWHLHLRDGDMLAAVLPHTARQFGRAIVMPNL
KPPVTTTAQAQAYRERILAALPAGMTFEPLMTLYLTDNTPPDEIRRARES
GFVHGVKLYPASDHGVTDLAKCAKTLEAMQETGMPLLVHGEVTDASIDLF
DREKVFIDRVMTPLRRDFPGLKVVFEHITTKDAADYVRDADAAPGLLGAT
ITAHHLLYNRNALFVGGIRPHYYCLPVLKRETHRVALVEAATSGNPRFFL
GTDSAPHARDAKETACGCAGCYTALHALELYAEAFDTAGALDKLEGFASF
FGADFYGLPRSAETVTLRREPWELPREIFAGETPVVPLRGGETIGWKLA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4lfy Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lfy Crystal structure of a dihydroorotase from Burkholderia cenocepacia J2315
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R245 E246 T247
Binding residue
(residue number reindexed from 1)		R230 E231 T232
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H31 H33 K117 H154 H192 D268
Catalytic site (residue number reindexed from 1) H21 H23 K107 H139 H177 D253
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:0009220 pyrimidine ribonucleotide biosynthetic process
GO:0019856 pyrimidine nucleobase biosynthetic process
GO:0044205 'de novo' UMP biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4lfy, PDBe:4lfy, PDBj:4lfy
PDBsum4lfy
PubMed
UniProtB4EEU0

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