Structure of PDB 6vgc Chain F Binding Site BS03

Receptor Information
>6vgc Chain F (length=148) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDQETVGNVVLLAIVTLISVVQNGFFAHKVEHESTLAFERVYTANQNCVD
AYPTFLAVLWSAGLLCSQVPAAFAGLMYLFVRQKYFVGYLGPGYIFGKRI
ILFLFLMSVAGIFNYYLIFFFGSDFENYIATISTTISPLLLIPEGHHH
Ligand information
Ligand IDQY1
InChIInChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1
InChIKeyZEYYDOLCHFETHQ-JOCHJYFZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O
CACTVS 3.385OC(=O)[CH](C1CCCC1)c2ccc(OCc3ccc4ccccc4n3)cc2
CACTVS 3.385OC(=O)[C@H](C1CCCC1)c2ccc(OCc3ccc4ccccc4n3)cc2
OpenEye OEToolkits 2.0.7c1ccc2c(c1)ccc(n2)COc3ccc(cc3)C(C4CCCC4)C(=O)O
ACDLabs 12.01c1cccc2ccc(nc12)COc3ccc(cc3)C(C(=O)O)C4CCCC4
FormulaC23 H23 N O3
Name(2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid
ChEMBLCHEMBL88712
DrugBankDB16346
ZINCZINC000000598193
PDB chain6vgc Chain F Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vgc Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Resolution2.37 Å
Binding residue
(original residue number in PDB)		D62 A63 T66 Y112 K116 I119
Binding residue
(residue number reindexed from 1)		D50 A51 T54 Y94 K98 I101
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004051 arachidonate 5-lipoxygenase activity
GO:0004364 glutathione transferase activity
GO:0004464 leukotriene-C4 synthase activity
GO:0004602 glutathione peroxidase activity
GO:0005515 protein binding
GO:0008047 enzyme activator activity
GO:0019899 enzyme binding
GO:0042802 identical protein binding
GO:0044877 protein-containing complex binding
GO:0050544 arachidonate binding
Biological Process
GO:0002540 leukotriene production involved in inflammatory response
GO:0002675 positive regulation of acute inflammatory response
GO:0006691 leukotriene metabolic process
GO:0019370 leukotriene biosynthetic process
GO:0019372 lipoxygenase pathway
GO:0070207 protein homotrimerization
GO:0071277 cellular response to calcium ion
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005634 nucleus
GO:0005635 nuclear envelope
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane
GO:0031965 nuclear membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6vgc, PDBe:6vgc, PDBj:6vgc
PDBsum6vgc
PubMed33246032
UniProtP20292|AL5AP_HUMAN Arachidonate 5-lipoxygenase-activating protein (Gene Name=ALOX5AP)

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