Structure of PDB 2ivd Chain A Binding Site BS01

Receptor Information
>2ivd Chain A (length=449) Species: 34 (Myxococcus xanthus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNVAVVGGGISGLAVAHHLRSRGTDAVLLESSARLGGAVGTHALAGYLVE
QGPNSFLDREPATRALAAALNLEGRIRAADPAAKRRYVYTRGRLRSVPAS
PPAFLASDILPLGARLRVAGELFSRRAPEGVDESLAAFGRRHLGHRATQV
LLDAVQTGIYAGDVEQLSVAATFPMLVKMEREHRSLILGAIRAQKAQRQA
GTAPKLSGALSTFDGGLQVLIDALAASLGDAAHVGARVEGLAREGWRLII
EEHGRRAELSVAQVVLAAPAHATAKLLRPLDDALAALVAGIAYAPIAVVH
LGFDAGTLPAPDGFGFLVPAEEQRRMLGAIHASTTFPFRAEGGRVLYSCM
VGGARQPGLVEQDEDALAALAREELKALAGVTARPSFTRVFRWPLGIPQY
NLGHLERVAAIDAALQRLPGLHLIGNAYKGVGLNDCIRNAAQLADALVA
Ligand information
Ligand IDACJ
InChIInChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
InChIKeyNUFNQYOELLVIPL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1C(F)(F)F)Cl)Oc2ccc(c(c2)C(=O)O)[N+](=O)[O-]
ACDLabs 10.04Clc2cc(ccc2Oc1cc(C(=O)O)c([N+]([O-])=O)cc1)C(F)(F)F
FormulaC14 H7 Cl F3 N O5
Name5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID
ChEMBLCHEMBL222440
DrugBankDB07338
ZINCZINC000002032367
PDB chain2ivd Chain A Residue 1465 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ivd Crystal Structure of Protoporphyrinogen Oxidase from Myxococcus Xanthus and its Complex with the Inhibitor Acifluorfen.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		T166 G167 I168 F329 G330 F331 L332 M365
Binding residue
(residue number reindexed from 1)		T157 G158 I159 F314 G315 F316 L317 M350
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.3.4: protoporphyrinogen oxidase.
Gene Ontology
Molecular Function
GO:0004729 oxygen-dependent protoporphyrinogen oxidase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0006779 porphyrin-containing compound biosynthetic process
GO:0006782 protoporphyrinogen IX biosynthetic process
GO:0006783 heme biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ivd, PDBe:2ivd, PDBj:2ivd
PDBsum2ivd
PubMed17046834
UniProtP56601|PGOX_MYXXA Protoporphyrinogen oxidase (Gene Name=pgoX)

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