Structure of PDB 6i8w Chain B Binding Site BS01

Receptor Information
>6i8w Chain B (length=310) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKRFLLGLVLLLAVAAGVLYFVPATLLASVRTVERGLAGLSEHSVQVDNL
EIAYLEGGSEKNPTLLLIHGFGADKDNWLRFARPLTERYHVVALDLPGFG
DSSKPQQASYDVGTQAERVANFAAAIGVRRLHLAGNSMGGHIAALYAARH
PEQVLSLALIDNAGVMPARKSELFEDLERGENPLVVRQPEDFQKLLDFVF
VQQPPLPAPLKRYLGERAVAASAFNAQIFEQLRQRYIPLEPELPKIEAPT
LLLWGDRDRVLDVSSIEVMRPLLKRPSVVIMENCGHVPMVERPEETAQHY
QAFLDGVRNA
Ligand information
Ligand ID11A
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKeyZDPHROOEEOARMN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCCCCCCC
FormulaC11 H22 O2
NameUNDECANOIC ACID
ChEMBLCHEMBL108030
DrugBankDB16857
ZINCZINC000001586297
PDB chain6i8w Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6i8w Structural, mechanistic, and physiological insights into phospholipase A-mediated membrane phospholipid degradation in Pseudomonas aeruginosa.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R31 N77
Binding residue
(residue number reindexed from 1)		R31 N77
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.3: triacylglycerol lipase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016787 hydrolase activity
GO:0047372 monoacylglycerol lipase activity
Biological Process
GO:0046464 acylglycerol catabolic process
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6i8w, PDBe:6i8w, PDBj:6i8w
PDBsum6i8w
PubMed35536643
UniProtQ9KJG6

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