Structure of PDB 9j9a Chain A Binding Site BS02
Receptor Information
>9j9a Chain A (length=248) Species:
1280
(Staphylococcus aureus) [
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EESEILKKREKYNAAPSTLSEEVFSKVSNTMKSPYNSVGTVFIKGETIAS
GVLIGKNTIITNYHVSRMAKKDPTKVIFTPGSTKTEDGVYKTPYGQFVAE
EINEHPYGQGTDLSIIKLKPNKDGKSAGDLIPPAKIADSIDLQQGDKISL
LGYPYNFSTNSLYRSEIEIFNLNSGQYFGYTESGNSGSGLFNLKGELVGI
HVGKGGKYNLPIGKFFNTEIGSLYSVDNSLSTLGSDLKKRAELQSHRS
Ligand information
Ligand ID
BGC
InChI
InChI=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
InChIKey
WQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
beta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBL
CHEMBL1614854
DrugBank
DB02379
ZINC
ZINC000003833800
PDB chain
9j9a Chain A Residue 305 [
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Receptor-Ligand Complex Structure
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PDB
9j9a
Crystal structure of exfoliative toxin D from Staphylococcus aureus.
Resolution
1.75 Å
Binding residue
(original residue number in PDB)
E23 F26 S27 K28
Binding residue
(residue number reindexed from 1)
E21 F24 S25 K26
Annotation score
4
External links
PDB
RCSB:9j9a
,
PDBe:9j9a
,
PDBj:9j9a
PDBsum
9j9a
PubMed
39276694
UniProt
Q8GAX8
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