Structure of PDB 2ive Chain A Binding Site BS02

Receptor Information
>2ive Chain A (length=451) 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
GTAPKLSGALSTFDGGLQVLIDALAASLGDAAHVGARVEGLAREDGGWRL
IIEEHGRRAELSVAQVVLAAPAHATAKLLRPLDDALAALVAGIAYAPIAV
VHLGFDAGTLPAPDGFGFLVPAEEQRRMLGAIHASTTFPFRAEGGRVLYS
CMVGGARQPGLVEQDEDALAALAREELKALAGVTARPSFTRVFRWPLGIP
QYNLGHLERVAAIDAALQRLPGLHLIGNAYKGVGLNDCIRNAAQLADALV
A
Ligand information
Ligand IDTWN
InChIInChI=1S/C22H42O3/c1-5-6-7-8-9-10-11-12-13-14-21(23)24-16-15-18(2)22-20(4)19(3)17-25-22/h18-20,22H,5-17H2,1-4H3/t18-,19-,20-,22-/m0/s1
InChIKeyTWHGDIVTXKNMOZ-XWUOBKMESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC(=O)OCC[C@H](C)[C@H]1[C@H]([C@H](CO1)C)C
CACTVS 3.341CCCCCCCCCCCC(=O)OCC[C@H](C)[C@@H]1OC[C@H](C)[C@@H]1C
CACTVS 3.341CCCCCCCCCCCC(=O)OCC[CH](C)[CH]1OC[CH](C)[CH]1C
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC(=O)OCCC(C)C1C(C(CO1)C)C
ACDLabs 10.04O=C(OCCC(C1OCC(C)C1C)C)CCCCCCCCCCC
FormulaC22 H42 O3
Name(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]BUTYL LAURATE
ChEMBL
DrugBank
ZINCZINC000058661241
PDB chain2ive Chain A Residue 4002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ive Crystal Structure of Protoporphyrinogen Oxidase from Myxococcus Xanthus and its Complex with the Inhibitor Acifluorfen.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G167 I168 F329 F331 L332 G343 A344 I345 M365
Binding residue
(residue number reindexed from 1)		G158 I159 F316 F318 L319 G330 A331 I332 M352
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:2ive, PDBe:2ive, PDBj:2ive
PDBsum2ive
PubMed17046834
UniProtP56601|PGOX_MYXXA Protoporphyrinogen oxidase (Gene Name=pgoX)

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