Structure of PDB 7ujj Chain G Binding Site BS01

Receptor Information
>7ujj Chain G (length=185) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKKLLEAARAGQDDEVRILMANGADVNACDSNGRTPLHLAAVRGHLEIVE
VLLKNGADVNAWDVIGKTPLHLAADGGHLEIVEVLLKNGADVNAWDLIGR
TPLHLAALDGHLEIVEVLLEHGADVNAYDRPGHTPLHLAARRGHLEIVEV
LLKYGADVNAQDKFGKTAFDISIDNGNEDLAEILQ
Ligand information
Ligand ID1PS
InChIInChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyREEBJQTUIJTGAL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[O-][S](=O)(=O)CCC[n+]1ccccc1
ACDLabs 10.04[O-]S(=O)(=O)CCC[n+]1ccccc1
OpenEye OEToolkits 1.5.0c1cc[n+](cc1)CCCS(=O)(=O)[O-]
FormulaC8 H11 N O3 S
Name3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE;
1-(3-SULFOPROPYL) PYRIDINIUM;
PPS
ChEMBL
DrugBank
ZINC
PDB chain7ujj Chain G Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7ujj A Multi-Specific DARPin Potently Neutralizes Shiga Toxin 2 via Simultaneous Modulation of Both Toxin Subunits.
Resolution6.5 Å
Binding residue
(original residue number in PDB)		D75 L105 L108 D109 G110 R142 H144
Binding residue
(residue number reindexed from 1)		D75 L105 L108 D109 G110 R142 H144
Annotation score1
External links