Structure of PDB 5o2j Chain A Binding Site BS01

Receptor Information
>5o2j Chain A (length=259) Species: 316 (Stutzerimonas stutzeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADADPDVLKVALLPDENASELIKRNQPLKDYLEEHLDKKVQLIVTTDYSS
MIEAMRFGRIDLAYFGPLSYVMAKSKSDIEPFAAMVIDGKPTYRSVIIAN
VASGVNEYADLKGKRMAYGDRASTSSHLIPKTVLLETADLTGGQDYEQHF
VGTHDAVAVNVANGNADAGGLSEVIFNHAAERGLIDPSKVKVLGYSGEYP
QYPWAMRSNLSPELKTKVRDVFVGIDDPEVLRNFKAEAFAPITDADYDVI
RNMGSLLGL
Ligand information
Ligand ID2PO
InChIInChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2
InChIKeyABLZXFCXXLZCGV-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]P([O-])=O
CACTVS 3.341[O-][PH]([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)[O-]
FormulaH O3 P
NamePHOSPHONATE
ChEMBL
DrugBank
ZINC
PDB chain5o2j Chain A Residue 301 [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]
PDB5o2j The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Resolution1.52 Å
Binding residue
(original residue number in PDB)		Y49 Y94 S124 T125 S126 H155 Y203
Binding residue
(residue number reindexed from 1)		Y48 Y93 S123 T124 S125 H154 Y202
Annotation score1
Binding affinityMOAD: Kd=0.24uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0043190 ATP-binding cassette (ABC) transporter complex

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5o2j, PDBe:5o2j, PDBj:5o2j
PDBsum5o2j
PubMed29170493
UniProtO69052|PTXB_STUST Probable phosphite transport system-binding protein PtxB (Gene Name=ptxB)

[Back to BioLiP]