Structure of PDB 4dxg Chain A Binding Site BS01

Receptor Information
>4dxg Chain A (length=194) Species: 426430 (Staphylococcus aureus subsp. aureus str. Newman) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EINPKFKDLRAYYTKPSLEFKNEIGIILKKWTTIRFMNVVPDYFIYKIAL
VGKDDKKYGEGVHRNVDVFVVLEENNYNLEKYSVGGITKSNSKKVDHKAG
VRITKEDNKGTISHDVSEFKITKEQISLKELDFKLRKQLIEKNNLYGNVG
SGKIVIKMKNGGKYTFELHKKLQENRMADVIDGTNIDNIEVNIK
Ligand information
Ligand IDGAL
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain4dxg Chain B Residue 2 [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]
PDB4dxg Structural and functional properties of staphylococcal superantigen-like protein 4
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E173 Q179 R182
Binding residue
(residue number reindexed from 1)		E167 Q173 R176
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=7.06,Kd=87.0nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005576 extracellular region

View graph for
Cellular Component
External links
PDB RCSB:4dxg, PDBe:4dxg, PDBj:4dxg
PDBsum4dxg
PubMed22949551
UniProtA0A0H3K6A3|SSL4_STAAE Staphylococcal superantigen-like 4 (Gene Name=ssl4)

[Back to BioLiP]