Structure of PDB 2bx7 Chain B Binding Site BS02

Receptor Information
>2bx7 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
IDPEAESVVIKPKDGFGGIGGAYIKPTALANVRAFYTRLKPEIQIIGTGG
IETGQDAFEHLLCGATMLQIGTALHKEGPAIFDRIIKELEEIMNQKGYQS
IADFHGKLKSL
Ligand information
Ligand ID34D
InChIInChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
InChIKeyUYEMGAFJOZZIFP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)c1cc(O)cc(O)c1
ACDLabs 10.04O=C(O)c1cc(O)cc(O)c1
OpenEye OEToolkits 1.5.0c1c(cc(cc1O)O)C(=O)O
FormulaC7 H6 O4
Name3,5-DIHYDROXYBENZOATE
ChEMBLCHEMBL95308
DrugBank
ZINCZINC000000388546
PDB chain2bx7 Chain B Residue 1313 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bx7 Interaction of Benzoate Pyrimidine Analogues with Class 1A Dihydroorotate Dehydrogenase from Lactococcus Lactis.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		K43 N67 M69 G70 L71 C130 P131 N132 N193 S194
Binding residue
(residue number reindexed from 1)		K43 N67 M69 G70 L71 C130 P131 N132 N193 S194
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:2bx7, PDBe:2bx7, PDBj:2bx7
PDBsum2bx7
PubMed17444658
UniProtA2RJT9|PYRDA_LACLM Dihydroorotate dehydrogenase A (fumarate) (Gene Name=pyrDA)

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