Structure of PDB 8rqp Chain A Binding Site BS11

Receptor Information
>8rqp Chain A (length=459) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSSHHHHHHSSGLVPRGSHMANSGEAPKNFGLDVKITGESENDRDLGTAP
GGTLNDIGIDLRPWAFGQWGDWSAYFMGQAVAATDTIETDTLQSDTGREP
DKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLREDSGQWQDTNIEALNWS
FETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTHVFGDISTQWAPHHRI
GVRIHHADDSGHLRRPGEEVDNLDKTYTGQLTWLGIEATGDAYNYRSSMP
LNYWASATWLTGDRDNLTTTTVDDRRIATGKQSGDVNAFGVDLGLRWNID
EQWKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVHRFGEAFR
GELSNLQAATLFGSWQLREDYDASLVYHKFWRVDDDSDIGTSGINAALQP
GEKDIGQELDLVVTKYFKYVDEPSALIRFRGGLFKPGDAYGPGTDSTMHR
AFVDFIWRF
Ligand information
Ligand IDA1H2K
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/h10-11,19,21-22H,2-9,12-18H2,1H3/b11-10+/t19-/m0/s1
InChIKeyXTALOCBNHVPVKU-VYENPZKTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCC=CCCCCCC(=O)OCC(CO)O
OpenEye OEToolkits 2.0.7CCCCCCCCC/C=C/CCCCCC(=O)OC[C@H](CO)O
CACTVS 3.385CCCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
CACTVS 3.385CCCCCCCCC/C=C/CCCCCC(=O)OC[C@@H](O)CO
FormulaC20 H38 O4
Name7.10 monoacylglycerol (S-form);
[(2S)-2,3-bis(oxidanyl)propyl] (E)-heptadec-7-enoate
ChEMBL
DrugBank
ZINC
PDB chain8rqp Chain A Residue 515 [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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PDB8rqp 7.10 MAG. A Novel Host Monoacylglyceride for In Meso (Lipid Cubic Phase) Crystallization of Membrane Proteins
Resolution1.45 Å
Binding residue
(original residue number in PDB)		T139 A140 L146
Binding residue
(residue number reindexed from 1)		T118 A119 L125
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:8rqp, PDBe:8rqp, PDBj:8rqp
PDBsum8rqp
PubMed38585376
UniProtP18895|ALGE_PSEAE Alginate production protein AlgE (Gene Name=algE)

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