Structure of PDB 2ivd Chain B Binding Site BS03

Receptor Information
>2ivd Chain B (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
KLSGALSTFDGGLQVLIDALAASLGDAAHVGARVEGLAREDGGWRLIIEE
HGRRAELSVAQVVLAAPAHATAKLLRPLDDALAALVAGIAYAPIAVVHLG
FDAGTLPAPDGFGFLVPAEEQRRMLGAIHASTTFPFRAEGGRVLYSCMVG
GARQPGLVEQDEDALAALAREELKALAGVTARPSFTRVFRWPLGIPQYNL
GHLERVAAIDAALQRLPGLHLIGNAYKGVGLNDCIRNAAQLADALVAGN
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 chain2ivd Chain B Residue 1472 [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)		R126 A128 G129 R134
Binding residue
(residue number reindexed from 1)		R117 A119 G120 R125
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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