Structure of PDB 8pz4 Chain A Binding Site BS07

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 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 chain8pz4 Chain A Residue 1020 [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)		P64 Q80 A81 R180 L183 D184
Binding residue
(residue number reindexed from 1)		P63 Q79 A80 R167 L170 D171
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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