Structure of PDB 1jqv Chain B Binding Site BS01

Receptor Information
>1jqv Chain B (length=311) Species: 1358 (Lactococcus lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLNTTFANAKFANPFMNASGVHCMTIEDLEELKASQAGAYITKSSTLEKR
EGNPLPRYVDLELGSINSMGLPNLGFDYYLDYVLKNQKENAQEGPIFFSI
AGMSAAENIAMLKKIQESDFSGITELNLSCPNVPGKPQLAYDFEATEKLL
KEVFTFFTKPLGVKLPPYFDLVHFDIMAEILNQFPLTYVNSVNSIGNGLF
IDPEAESVVIKPEDGFGGIGGAYIKPTALANVRAFYTRLKPEIQIIGTGG
IETGQDAFEHLLCGATMLQIGTALHKEGPAIFDRIIKELEEIMNQKGYQS
IADFHGKLKSL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1jqv Chain B Residue 314 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1jqv Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K33 S35
Binding residue
(residue number reindexed from 1)		K33 S35
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K43 N67 L71 C130 N132 V133 K164 V192
Catalytic site (residue number reindexed from 1) K43 N67 L71 C130 N132 V133 K164 V192
Enzyme Commision number 1.3.98.1: dihydroorotate oxidase (fumarate).
Gene Ontology
Molecular Function
GO:0004152 dihydroorotate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
GO:1990663 dihydroorotate dehydrogenase (fumarate) activity
Biological Process
GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0006222 UMP 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:1jqv, PDBe:1jqv, PDBj:1jqv
PDBsum1jqv
PubMed12732650
UniProtA2RJT9|PYRDA_LACLM Dihydroorotate dehydrogenase A (fumarate) (Gene Name=pyrDA)

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