Structure of PDB 4azl Chain A Binding Site BS05

Receptor Information
>4azl Chain A (length=418) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNFGLDVKITGESENDRDLGTAPTLNDIGIDLRPWAFGQWGDWSAYFMGQ
AVAATDTIETDTPDKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLREDSG
QWQDTNIEALNWSFETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTHVF
GDISTQWAPHHRIGVRIHHADDSGHLRRPGETYTGQLTWLGIEATGDAYN
YRSSMPLNYWASATWLTGDRDNLTTIATGKQSGDVNAFGVDLGLRWNIDE
QWKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVHRFGEAFRG
ELSNLQAATLFGSWQLREDYDASLVYHKFWRVDDDSDIGTSGINAALQPG
EKDIGQELDLVVTKYFKQGLLPASMSQYVDEPSALIRFRGGLFKPGDAYG
PGTDSTMHRAFVDFIWRF
Ligand information
Ligand ID78N
InChIInChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h8-9,17,19-20H,2-7,10-16H2,1H3/b9-8-/t17-/m1/s1
InChIKeyBJMLBVHMHXYQFS-XZVRFQMRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCC=CCCCCCC(=O)OCC(CO)O
CACTVS 3.370CCCCCCC\C=C/CCCCCC(=O)OC[C@H](O)CO
ACDLabs 12.01O=C(OCC(O)CO)CCCCC\C=C/CCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O
CACTVS 3.370CCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
FormulaC18 H34 O4
Name(2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE;
7.8 MONOACYLGLYCEROL (2R)
ChEMBL
DrugBank
ZINCZINC000098208565
PDB chain4azl Chain A Residue 1495 [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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PDB4azl A Conformational Landscape for Alginate Secretion Across the Outer Membrane of Pseudomonas Aeruginosa.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		N54 L430 L464 T478 H480
Binding residue
(residue number reindexed from 1)		N15 L358 L392 T406 H408
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:4azl, PDBe:4azl, PDBj:4azl
PDBsum4azl
PubMed25084326
UniProtP18895|ALGE_PSEAE Alginate production protein AlgE (Gene Name=algE)

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