Receptor
PDB id Resolution Class Description Source Keywords
3O01 1.9 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF THE SALMONELLA TYPE III SECRETION S PROTEIN SIPD IN COMPLEX WITH DEOXYCHOLATE SALMONELLA ENTERICA COILED-COIL BACTERIAL NEEDLE TIP PROTEIN SIPB SIPC PRGIINVASION
Ref.: THE CRYSTAL STRUCTURES OF THE SALMONELLA TYPE III S SYSTEM TIP PROTEIN SIPD IN COMPLEX WITH DEOXYCHOLAT CHENODEOXYCHOLATE. PROTEIN SCI. V. 20 75 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DXC B:1;
Valid;
none;
submit data
392.572 C24 H40 O4 C[C@H...
NI A:1;
Part of Protein;
none;
submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3O01 1.9 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF THE SALMONELLA TYPE III SECRETION S PROTEIN SIPD IN COMPLEX WITH DEOXYCHOLATE SALMONELLA ENTERICA COILED-COIL BACTERIAL NEEDLE TIP PROTEIN SIPB SIPC PRGIINVASION
Ref.: THE CRYSTAL STRUCTURES OF THE SALMONELLA TYPE III S SYSTEM TIP PROTEIN SIPD IN COMPLEX WITH DEOXYCHOLAT CHENODEOXYCHOLATE. PROTEIN SCI. V. 20 75 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3O02 - JN3 C24 H40 O4 C[C@H](CCC....
2 3O01 - DXC C24 H40 O4 C[C@H](CCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3O02 - JN3 C24 H40 O4 C[C@H](CCC....
2 3O01 - DXC C24 H40 O4 C[C@H](CCC....
3 3ZQE Kd = 59 uM DXC C24 H40 O4 C[C@H](CCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3O02 - JN3 C24 H40 O4 C[C@H](CCC....
2 3O01 - DXC C24 H40 O4 C[C@H](CCC....
3 3ZQE Kd = 59 uM DXC C24 H40 O4 C[C@H](CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DXC; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 DXC 1 1
2 4OA 0.619048 0.972222
3 CHD 0.609195 1
4 GCH 0.485149 0.714286
5 JN3 0.478261 1
6 82R 0.425743 0.767442
7 LOA 0.424242 0.868421
8 LHP 0.415842 0.846154
9 3KL 0.408163 0.891892
10 AOM 0.404762 0.857143
11 AON 0.404762 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3O01; Ligand: DXC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3o01.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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