Structure of PDB 7acg Chain A Binding Site BS09

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 513 [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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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)		Y367 K369
Binding residue
(residue number reindexed from 1)		Y375 K377
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
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Cellular Component
External links
PDB RCSB:7acg, PDBe:7acg, PDBj:7acg
PDBsum7acg
PubMed
UniProtP18895|ALGE_PSEAE Alginate production protein AlgE (Gene Name=algE)

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