Structure of PDB 8q2o Chain A Binding Site BS01

Receptor Information
>8q2o Chain A (length=460) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSSHHHHHHSSGLVPRGSHMANSGEAPKNFGLDVKITGESENDRDLGTAP
GGTLNDIGIDLRPWAFGQWGDWSAYFMGQAVAATDTIETDTLQSDTNDGR
EPDKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLREDSGQWQDTNIEALN
WSFETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTHVFGDISTQWAPHH
RIGVRIHHADDSGHLRRPGEEVDNLDKTYTGQLTWLGIEATGDAYNYRSS
MPLNYWASATWLTGDRDNLTTTTVDDRRIATGKQSGDVNAFGVDLGLRWN
IDEQWKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVHRFGEA
FRGELSNLQAATLFGSWQLREDYDASLVYHKFWRVDDDSDIGTSGINAAL
QPGEKDIGQELDLVVTKYFKVDEPSALIRFRGGLFKPGDAYGPGTDSTMH
RAFVDFIWRF
Ligand information
Ligand IDIRY
InChIInChI=1S/C17H34O4Se/c1-2-3-4-9-12-22-13-10-7-5-6-8-11-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3/t16-/m0/s1
InChIKeyNDMGORYXSUYATF-INIZCTEOSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCC[Se]CCCCCCCC(=O)OC[C@@H](O)CO
OpenEye OEToolkits 2.0.7CCCCCC[Se]CCCCCCCC(=O)OC[C@H](CO)O
CACTVS 3.385CCCCCC[Se]CCCCCCCC(=O)OC[CH](O)CO
OpenEye OEToolkits 2.0.7CCCCCC[Se]CCCCCCCC(=O)OCC(CO)O
FormulaC17 H34 O4 Se
Name[(2~{S})-2,3-bis(oxidanyl)propyl] 8-hexylselanyloctanoate
ChEMBL
DrugBank
ZINC
PDB chain8q2o Chain A Residue 506 [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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PDB8q2o Se-MAG Is a Convenient Additive for Experimental Phasing and Structure Determination of Membrane Proteins Crystallised by the Lipid Cubic Phase (In Meso) Method
Resolution1.7 Å
Binding residue
(original residue number in PDB)		P75 A92 A127 R191 T192 D195
Binding residue
(residue number reindexed from 1)		P63 A80 A108 R172 T173 D176
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:8q2o, PDBe:8q2o, PDBj:8q2o
PDBsum8q2o
PubMed
UniProtP18895|ALGE_PSEAE Alginate production protein AlgE (Gene Name=algE)

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