Structure of PDB 4g33 Chain A Binding Site BS02

Receptor Information
>4g33 Chain A (length=661) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANDSIFFSPLKYLGAEQQRSIDASRSLLDNLIPPSLPQYDNLAGKLARRA
VLTSKKLVYVWTENFANVKGVPMARSVPLGELPNVDWLLKTAGVIVELIV
NFVASLPASAAAQFERIAAGLSGDLEAARQVHEALLEEAKNDPAAAGSLL
LRFTELQTRVIALLTRVGLLVDDILKSASNLVDGLNRFRAVFGTLRLPEV
ADSFRDDEAFAYWRVAGPNPLLIRRVDALPANFPLGEEQFRRVMGADDSL
LEAAASRRLYLLDYAELGKLAPSGAVDKLLTGTGFAYAPIALFALGKDRA
GLLPVAIQCGQDPATHPMFVRPAESESDLYWGWQMAKTVVQVAEENYHEM
FVHLAQTHLVSEAFCLATQRTLAPSHPLHVLLAPHFEGTLFINEGAARIL
LPSAGFIDVMFAAPIQDTQATAGGNRLGFDFYRGMLPESLKARNVDDPAA
LPDYPYRDDGLLVWNAIRQWAADYVAVYYASDGDVTADVELAAWVGEVIG
SGKVAGFRPITGRSQLVEVLTMVIFTASAQHAAVNFPQPSMMTYAPAICA
MSAAPAPDSPSGKSEADWLKMMPPTLVALEKVNIYHLLGSVYHGRLGDYR
QTGFPYAPVFSDRRVTASGGPLERFQARLKEVEATIRTRNQARRKPYEYL
LPSRIPASTNI
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 chain4g33 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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PDB4g33 Structure and interaction with phospholipids of a prokaryotic lipoxygenase from Pseudomonas aeruginosa.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		T109 L182 D190 E373 H377 H382 F415 A420 L424 N607 Y609
Binding residue
(residue number reindexed from 1)		T91 L164 D172 E349 H353 H358 F391 A396 L400 N583 Y585
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H377 H382 H555 N559 I685
Catalytic site (residue number reindexed from 1) H353 H358 H531 N535 I661
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:4g33, PDBe:4g33, PDBj:4g33
PDBsum4g33
PubMed23985801
UniProtQ8RNT4|LOX_PSEAI Linoleate 9/13-lipoxygenase (Gene Name=lox)

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