Receptor
PDB id Resolution Class Description Source Keywords
3SJ0 2 Å NON-ENZYME: OTHER PPCA MUTANT M58S GEOBACTER SULFURREDUCENS THREE HEME CYTOCHROME C7 ELECTRON TRANSPORT
Ref.: PITFALLS IN THE INTERPRETATION OF STRUCTURAL CHANGE MUTANT PROTEINS FROM CRYSTAL STRUCTURES. J.STRUCT.FUNCT.GENOM. V. 13 227 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DXC X:75;
Valid;
none;
submit data
392.572 C24 H40 O4 C[C@H...
HEM X:72;
X:73;
X:74;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
SO4 X:76;
X:77;
X:78;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SJ0 2 Å NON-ENZYME: OTHER PPCA MUTANT M58S GEOBACTER SULFURREDUCENS THREE HEME CYTOCHROME C7 ELECTRON TRANSPORT
Ref.: PITFALLS IN THE INTERPRETATION OF STRUCTURAL CHANGE MUTANT PROTEINS FROM CRYSTAL STRUCTURES. J.STRUCT.FUNCT.GENOM. V. 13 227 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3SJ0 - DXC C24 H40 O4 C[C@H](CCC....
2 3SEL - DXC C24 H40 O4 C[C@H](CCC....
3 3SJ1 - DXC C24 H40 O4 C[C@H](CCC....
4 3SJ4 - DXC C24 H40 O4 C[C@H](CCC....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3SJ0 - DXC C24 H40 O4 C[C@H](CCC....
2 3SEL - DXC C24 H40 O4 C[C@H](CCC....
3 3SJ1 - DXC C24 H40 O4 C[C@H](CCC....
4 3SJ4 - DXC C24 H40 O4 C[C@H](CCC....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3SJ0 - DXC C24 H40 O4 C[C@H](CCC....
2 3SEL - DXC C24 H40 O4 C[C@H](CCC....
3 3SJ1 - DXC C24 H40 O4 C[C@H](CCC....
4 3SJ4 - 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 : 3SJ0; 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: 3sj0.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3SJ0; 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: 2) in the query (biounit: 3sj0.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3SJ0; 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: 3) in the query (biounit: 3sj0.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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