Structure of PDB 7acg Chain A Binding Site BS11

Receptor Information
>7acg Chain A (length=457) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSSHHHHHHSSGLVPRGSHMANSGEAPKNFGLDVKITGESENDRDLGTAP
GGTLNDIGIDLRPWAFGQWGDWSAYFMGQAVAATDTIETDTLQSDDGREP
DKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLREDSGQWQDTNIEALNWS
FETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTHVFGDISTQWAPHHRI
GVRIHHADDSGHLRRPGEEVDNLDKTYTGQLTWLGIEATGDAYNYRSSMP
LNYWASATWLTGDRDNLTTTTVRRIATGKQSGDVNAFGVDLGLRWNIDEQ
WKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVHRFGEAFRGE
LSNLQAATLFGSWQLREDYDASLVYHKFWRVDDDSDIGTSGINAALQPGE
KDIGQELDLVVTKYFKYVDEPSALIRFRGGLFKPGDAYGPGTDSTMHRAF
VDFIWRF
Ligand information
Ligand IDLH9
InChIInChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h8-9,19,21-22H,2-7,10-18H2,1H3/t19-/m0/s1
InChIKeyNXAQGVNJNZDCNZ-IBGZPJMESA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO
CACTVS 3.385CCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO
OpenEye OEToolkits 2.0.7CCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
OpenEye OEToolkits 2.0.7CCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO)O
FormulaC20 H38 O4
Name[(2~{S})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate
ChEMBL
DrugBank
ZINC
PDB chain7acg Chain A Residue 517 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7acg 9.8 MAG. A new host lipid for in meso (lipid cubic phase) crystallization of integral membrane proteins
Resolution1.85 Å
Binding residue
(original residue number in PDB)		G19 E20 N36 D37 F429
Binding residue
(residue number reindexed from 1)		G38 E39 N55 D56 F427
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0042121 alginic acid biosynthetic process
Cellular Component
GO:0009279 cell outer membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7acg, PDBe:7acg, PDBj:7acg
PDBsum7acg
PubMed
UniProtP18895|ALGE_PSEAE Alginate production protein AlgE (Gene Name=algE)

[Back to BioLiP]