Structure of PDB 4g32 Chain A Binding Site BS02

Receptor Information
>4g32 Chain A (length=630) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPPSLPQYDNLAGKLARRAVLTSKKLVYVWTENFANVKGVPMARSVPLGE
LPNVDWLLKTAGVIVELIVNFVASLPASAAAQFERIAAGLSGDLEAARQV
HEALLEEAKNDPAAAGSLLLRFTELQTRVIALLTRVGLLVDDILKSASNL
VDGLNRFRAVFGTLRLPEVADSFRDDEAFAYWRVAGPNPLLIRRVDALPA
NFPLGEEQFRRVMGADDSLLEAAASRRLYLLDYAELGKLAPSGAVDKLLT
GTGFAYAPIALFALGKDRAGLLPVAIQCGQDPATHPMFVRPAESESDLYW
GWQMAKTVVQVAEENYHEMFVHLAQTHLVSEAFCLATQRTLAPSHPLHVL
LAPHFEGTLFINEGAARILLPSAGFIDVMFAAPIQDTQATAGGNRLGFDF
YRGMLPESLKARNVDDPAALPDYPYRDDGLLVWNAIRQWAADYVAVYYAS
DGDVTADVELAAWVGEVIGSGKVAGFRPITGRSQLVEVLTMVIFTASAQH
AAVNFPQPSMMTYAPAICAMSAAPAPDSPSGKSEADWLKMMPPTLVALEK
VNIYHLLGSVYHGRLGDYRQTGFPYAPVFSDRRVTASGGPLERFQARLKE
VEATIRTRNQARRKPYEYLLPSRIPASTNI
Ligand information
Ligand IDZPE
InChIInChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h13,15,22,24,35H,3-12,14,16-21,23,25-34,38H2,1-2H3,(H,41,42)/b15-13-,24-22?/t35-/m1/s1
InChIKeySWNDXEVFPWKPGK-SPZKJSGBSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(OCC(OC(=O)CCC\C=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCC\C=C/CCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCC=CCCCC(=O)OC(COC(=O)CCCCCCCCCC=CCCCCCC)COP(=O)(O)OCCN
CACTVS 3.370CCCCCCCC\C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)CO[P](O)(=O)OCCN
OpenEye OEToolkits 1.7.6CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)CO[P@@](=O)(O)OCCN
CACTVS 3.370CCCCCCCCC=CCCCC(=O)O[CH](COC(=O)CCCCCCCCCC=CCCCCCC)CO[P](O)(=O)OCCN
FormulaC37 H70 N O8 P
Name(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate
ChEMBL
DrugBank
ZINC
PDB chain4g32 Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4g32 Structure and interaction with phospholipids of a prokaryotic lipoxygenase from Pseudomonas aeruginosa.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		L182 G186 D190 E373 H382 F415 A420 I423 L424
Binding residue
(residue number reindexed from 1)		L133 G137 D141 E318 H327 F360 A365 I368 L369
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H377 H382 H555 N559 I685
Catalytic site (residue number reindexed from 1) H322 H327 H500 N504 I630
Enzyme Commision number 1.13.11.12: linoleate 13S-lipoxygenase.
1.13.11.58: linoleate 9S-lipoxygenase.
1.13.11.77: oleate 10S-lipoxygenase.
Gene Ontology
Molecular Function
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0046872 metal ion binding
Biological Process
GO:0034440 lipid oxidation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4g32, PDBe:4g32, PDBj:4g32
PDBsum4g32
PubMed23985801
UniProtQ8RNT4|LOX_PSEAI Linoleate 9/13-lipoxygenase (Gene Name=lox)

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