Structure of PDB 8rqp Chain A Binding Site BS09

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 IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain8rqp Chain A Residue 512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		I69 A95 T96
Binding residue
(residue number reindexed from 1)		I57 A83 T84
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
View graph for
Cellular Component
External links
PDB RCSB:8rqp, PDBe:8rqp, PDBj:8rqp
PDBsum8rqp
PubMed38585376
UniProtP18895|ALGE_PSEAE Alginate production protein AlgE (Gene Name=algE)

[Back to BioLiP]