Structure of PDB 3mpg Chain B Binding Site BS01

Receptor Information
>3mpg Chain B (length=426) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNYLFKNGRYMNEEGKIVATDLLVQDGKIAKVAENITADNAEVIDVNGKL
IAPGLVDVHVHLREPGGEHKETIETGTLAAAKGGFTTICAMPNTRPVPDC
REHMEDLQNRIKEKAHVNVLPYGAITVRQAGSEMTDFETLKELGAFAFTD
DGVGVQDASMMLAAMKRAAKLNMAVVAHCEENTLINKGCVHEGKFSEKHG
LNGIPSVCESVHIARDILLAEAADCHYHVCHVSTKGSVRVIRDAKRAGIK
VTAEVTPHHLVLCEDDIPSADPNFKMNPPLRGKEDHEALIEGLLDGTIDM
IATDHAPHTAEEKAQGIERAPFGITGFETAFPLLYTNLVKKGIITLEQLI
QFLTEKPADTFGLEAGRLKEGRTADITIIDLEQEEEIDPTTFLSKGKNTP
FAGWKCQGWPVMTIVGGKIAWQKESA
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 chain3mpg Chain B Residue 429 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mpg Structure of dihydroorotase from Bacillus anthracis at 2.6A resolution.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H59 H61 D151 D304
Binding residue
(residue number reindexed from 1)		H59 H61 D151 D304
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H59 H61
Catalytic site (residue number reindexed from 1) H59 H61
Enzyme Commision number 3.5.2.3: dihydroorotase.
Gene Ontology
Molecular Function
GO:0004038 allantoinase activity
GO:0004151 dihydroorotase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0016812 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides
GO:0046872 metal ion binding
Biological Process
GO:0006145 purine nucleobase catabolic process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0044205 'de novo' UMP biosynthetic process
Cellular Component
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:3mpg, PDBe:3mpg, PDBj:3mpg
PDBsum3mpg
PubMed21045288
UniProtQ81WF0|PYRC_BACAN Dihydroorotase (Gene Name=pyrC)

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