Structure of PDB 8pz4 Chain A Binding Site BS03

Receptor Information
>8pz4 Chain A (length=466) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSSHHHHHHSSGLVPRGSHMANSGEAPKNFGLDVKITGESENDRDLGTAP
GGTLNDIGIDLRPWAFGQWGDWSAYFMGQAVAATDTIETDTLQGREPDKS
YLAAREFWVDYAGLTAYPGEHLRFGRQRLREDSGQWQDTNIEALNWSFET
TLLNAHAGVAQRFSEYRTDLDELAPEDKDRTHVFGDISTQWAPHHRIGVR
IHHADDSGHLRRPGEEVDNLDKTYTGQLTWLGIEATGDAYNYRSSMPLNY
WASATWLTGDRDNLTTTTVDDRRIATGKQSGDVNAFGVDLGLRWNIDEQW
KAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVHRFGEAFRGEL
SNLQAATLFGSWQLREDYDASLVYHKFWRVDDDSDIGTSGINAALQPGEK
DIGQELDLVVTKYFKQGLLPASMSQYVDEPSALIRFRGGLFKPGDAYGPG
TDSTMHRAFVDFIWRF
Ligand information
Ligand ID78M
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-/m0/s1
InChIKeyBJMLBVHMHXYQFS-JJEJIETFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCC=CCCCCCC(=O)OCC(CO)O
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
CACTVS 3.370CCCCCCC\C=C/CCCCCC(=O)OC[C@@H](O)CO
FormulaC18 H34 O4
Name(2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE;
7.8 MONOACYLGLYCEROL
ChEMBL
DrugBank
ZINCZINC000098208564
PDB chain8pz4 Chain A Residue 1012 [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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PDB8pz4 Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Resolution1.77 Å
Binding residue
(original residue number in PDB)		W70 A75 F77 W121 F137
Binding residue
(residue number reindexed from 1)		W69 A74 F76 W108 F124
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:8pz4, PDBe:8pz4, PDBj:8pz4
PDBsum8pz4
PubMed37828292
UniProtP18895|ALGE_PSEAE Alginate production protein AlgE (Gene Name=algE)

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