Structure of PDB 3s99 Chain A Binding Site BS01

Receptor Information
>3s99 Chain A (length=330) Species: 359391 (Brucella abortus 2308) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLKVGFIYIGPPGDFGWTYQHDQARKELVEALGDKVETTFLENVAEGADA
ERSIKRIARAGNKLIFTTSFGYMDPTVKVAKKFPDVKFEHATGYKTADNM
SAYNARFYEGRYVQGVIAAKMSKKGIAGYIGSVPVPEVVQGINSFMLGAQ
SVNPDFRVKVIWVNSWFDPGKEADAAKALIDQGVDIITQHTDSTAAIQVA
HDRGIKAFGQASDMIKFAPDTQLTAVVDEWGPYYIDRAKAVLDGTWKSQN
IWWGMKEGLVKMAPFTNMPDDVKKLAEETEARIKSGELNPFTGPIKKQDG
SEWLKAGEKADDQTLLGMNFYVAGVDDKLP
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain3s99 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]
PDB3s99 Crystal structure of a basic membrane lipoprotein from brucella melitensis, iodide soak
Resolution2.05 Å
Binding residue
(original residue number in PDB)		W36 S88 F89 T111 E156 W185 D211
Binding residue
(residue number reindexed from 1)		W17 S69 F70 T92 E137 W166 D192
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005886 plasma membrane

View graph for
Cellular Component
External links
PDB RCSB:3s99, PDBe:3s99, PDBj:3s99
PDBsum3s99
PubMed
UniProtQ2YKI6|PBP_BRUA2 Purine-binding protein BAB2_0673 (Gene Name=BAB2_0673)

[Back to BioLiP]