Structure of PDB 3t95 Chain A Binding Site BS01

Receptor Information
>3t95 Chain A (length=314) Species: 214092 (Yersinia pestis CO92) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AERIAFIPKLVGVGFFTSGGKGAVDAGKALGVDVTYDGPTEPSVSGQVQL
INNFVNQGYNAIVVSAVSPDGLCPALKRAMQRGVKILTWDSDTKPECRSV
YINQGTPNQLGSMLVDMAANQVKKEQAKVAFFYSSPTVTDQNQWVNEAKK
KIQQEHPGWEIVTTQFGYNDATKSLQTAEGILKAYADLDAIIAPDANALP
AAAQAAENLKRANVAIVGFSTPNVMRPYVERGTVKEFGLWDVVNQGKISV
YVANEMLKKGDLNVGDKIDIPNIGVVEVSPNRVQGYDYEAKGNGIVLLPQ
RVIFTKENISKYDF
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 chain3t95 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]
PDB3t95 The structure of LsrB from Yersinia pestis complexed with autoinducer-2.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		K34 F40 F41 D115 D165 Q166 W169 P219 D220 A221 W265
Binding residue
(residue number reindexed from 1)		K9 F15 F16 D90 D140 Q141 W144 P194 D195 A196 W240
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3t95, PDBe:3t95, PDBj:3t95
PDBsum3t95
PubMed22139152
UniProtQ74PW2|LSRB_YERPE Autoinducer 2-binding protein LsrB (Gene Name=lsrB)

[Back to BioLiP]