Structure of PDB 6cty Chain E Binding Site BS01

Receptor Information
>6cty Chain E (length=341) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQTLKIRRPDDWHIHLRDDEMLSTVLPYTSEVFARAIVMPNLAQPITTVA
SAIAYRERILAAVPAGHKFTPLMTCYLTNSLDAKELTTGFEQGVFTAAKL
YPANNSTHGVSDIPAIYPLFEQMQKIGMPLLIHGEVTDAAVDIFDREARF
IDQILEPIRQKFPELKIVFEHITTKDAADYVLAGNRFLGATVTPQHLMFN
RNHMLVGGIRPHLFCLPILKRSTHQQALRAAVASGSDRFFLGTDSAPHAK
HRKESSCGCAGVFNAPAALPAYASVFEELNALQHLEAFCALNGPRFYGLP
VNDDVVELVRTPFLQPEEIPLGNESVIPFLAGQTLNWSVKR
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 chain6cty Chain E Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6cty Pyrimidine biosynthesis in pathogens - Structures and analysis of dihydroorotases from Yersinia pestis and Vibrio cholerae.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		H17 H19 K103 D251
Binding residue
(residue number reindexed from 1)		H13 H15 K99 D244
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H17 H19 K103 H140 H178 D251
Catalytic site (residue number reindexed from 1) H13 H15 K99 H133 H171 D244
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:6cty, PDBe:6cty, PDBj:6cty
PDBsum6cty
PubMed31207330
UniProtQ8ZFU4|PYRC_YERPE Dihydroorotase (Gene Name=pyrC)

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