Structure of PDB 3pnu Chain A Binding Site BS01

Receptor Information
>3pnu Chain A (length=338) Species: 192222 (Campylobacter jejuni subsp. jejuni NCTC 11168 = ATCC 700819) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENLYFQSNAMKLKNPLDMHLHLRDNQMLELIAPLSARDFCAAVIMPNLIP
PLCNLEDLKAYKMRILKACKDENFTPLMTLFFKNYDEKFLYSAKDEIFGI
KLYPAGITTNSNGGVSSFDIEYLKPTLEAMSDLNIPLLVHGETNDFVMDR
ESNFAKIYEKLAKHFPRLKIVMEHITTKTLCELLKDYENLYATITLHHLI
ITLDDVIGGKMNPHLFCKPIAKRYEDKEALCELAFSGYEKVMFGSDSAPH
PKGCAAGVFSAPVILPVLAELFKQNSSEENLQKFLSDNTCKIYDLKFKED
KILTLEEKEWQVPNVYEDKYNQVVPYMAGEILKFQLKH
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 chain3pnu Chain A Residue 336 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pnu 2.4 Angstrom Crystal Structure of Dihydroorotase (pyrC) from Campylobacter jejuni.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		K92 H131 H165
Binding residue
(residue number reindexed from 1)		K101 H140 H174
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H10 H12 K92 H131 H165 D237
Catalytic site (residue number reindexed from 1) H19 H21 K101 H140 H174 D246
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:3pnu, PDBe:3pnu, PDBj:3pnu
PDBsum3pnu
PubMed
UniProtQ0PBP6

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