Structure of PDB 3jze Chain D Binding Site BS02

Receptor Information
>3jze Chain D (length=342) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVLKIRRPDDWHVHLRDGDMLKTVVPYTSEIYGRAIVMPNLASPITTVDA
AIAYRQRILDAVPAGHDFTPLMTCYLTDSLDADELERGFHEGVFTAAKLY
PANATTNSSHGVTSVDAIMPVLERMEKLGIPLLVHGEVTHADVDIFDREA
RFIDTVMEPLRQRLTALKVVFEHITTKDAAQYVRDGNDYLAATITPQHLM
FNRNDMLVGGIRPHLYCLPILKRNIHQQALRELVASGFTRAFLGTDSAPH
SRHRKETSCGCAGCFNAPSALGSYAAVFEEMNALAHFEAFCSLNGPQFYG
LPMNTGWVELVRDEQQIPGNIALADDSLVPFLAGETVRWSVK
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 chain3jze Chain D Residue 408 [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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PDB3jze 1.8 Angstrom Resolution Crystal Structure of Dihydroorotase (pyrC) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K103 H140 H178
Binding residue
(residue number reindexed from 1)		K98 H135 H173
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H17 H19 K103 H140 H178 D251
Catalytic site (residue number reindexed from 1) H12 H14 K98 H135 H173 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: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:3jze, PDBe:3jze, PDBj:3jze
PDBsum3jze
PubMed
UniProtP06204|PYRC_SALTY Dihydroorotase (Gene Name=pyrC)

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