Structure of PDB 1tjy Chain A Binding Site BS01

Receptor Information
>1tjy Chain A (length=316) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSAERIAFIPKLVGVGFFTSGGNGAQEAGKALGIDVTYDGPTEPSVSGQV
QLVNNFVNQGYDAIIVSAVSPDGLCPALKRAMQRGVKILTWDSDTKPECR
SYYINQGTPKQLGSMLVEMAAHQVDKEKAKVAFFYSSPTVTDQNQWVKEA
KAKISQEHPGWEIVTTQFGYNDATKSLQTAEGIIKAYPDLDAIIAPDANA
LPAAAQAAENLKRNNLAIVGFSTPNVMRPYVQRGTVKEFGLWDVVQQGKI
SVYVANALLKNMPMNVGDSLDIPGIGKVTVSPNSEQGYHYEAKGNGIVLL
PERVIFNKDNIDKYDF
Ligand information
Ligand IDPAV
InChIInChI=1S/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m0/s1
InChIKeyBVIYGXUQVXBHQS-IUYQGCFVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@]1(C([C@H](CO1)O)(O)O)O
CACTVS 3.341C[C]1(O)OC[CH](O)C1(O)O
CACTVS 3.341C[C@@]1(O)OC[C@H](O)C1(O)O
ACDLabs 10.04OC1(O)C(O)(OCC1O)C
OpenEye OEToolkits 1.5.0CC1(C(C(CO1)O)(O)O)O
FormulaC5 H10 O5
Name(2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
ChEMBLCHEMBL1235140
DrugBankDB04346
ZINC
PDB chain1tjy Chain A Residue 400 [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]
PDB1tjy Salmonella typhimurium Recognizes a Chemically Distinct Form of the Bacterial Quorum-Sensing Signal AI-2
Resolution1.3 Å
Binding residue
(original residue number in PDB)		K35 F41 F42 D116 D166 Q167 W170 P220 D221 A222 W266
Binding residue
(residue number reindexed from 1)		K11 F17 F18 D92 D142 Q143 W146 P196 D197 A198 W242
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex

View graph for
Cellular Component
External links
PDB RCSB:1tjy, PDBe:1tjy, PDBj:1tjy
PDBsum1tjy
PubMed15350213
UniProtQ8ZKQ1|LSRB_SALTY Autoinducer 2-binding protein LsrB (Gene Name=lsrB)

[Back to BioLiP]