Structure of PDB 4azl Chain A Binding Site BS07

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 1497 [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)		G315 V328 Y330 R332 Q378
Binding residue
(residue number reindexed from 1)		G243 V256 Y258 R260 Q306
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0042121 alginic acid biosynthetic process
Cellular Component
GO:0009279 cell outer membrane

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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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