Receptor
PDB id Resolution Class Description Source Keywords
3RGQ 2.05 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF PTPMT1 IN COMPLEX WITH PI(5)P MUS MUSCULUS PHOSPHATIDYLGLYCEROL PHOSPHATE (PGP) PHOSPHATASE HYDROLASE
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF PTPMT1, A PHO REQUIRED FOR CARDIOLIPIN SYNTHESIS. PROC.NATL.ACAD.SCI.USA V. 108 11860 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5P5 A:300;
 Valid;
 none;
 submit data
554.374 C17 H32 O16 P2 CCCC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RGQ 2.05 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF PTPMT1 IN COMPLEX WITH PI(5)P MUS MUSCULUS PHOSPHATIDYLGLYCEROL PHOSPHATE (PGP) PHOSPHATASE HYDROLASE
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF PTPMT1, A PHO REQUIRED FOR CARDIOLIPIN SYNTHESIS. PROC.NATL.ACAD.SCI.USA V. 108 11860 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 3RGQ - 5P5 C17 H32 O16 P2 CCCC(=O)OC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3RGQ - 5P5 C17 H32 O16 P2 CCCC(=O)OC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3RGQ - 5P5 C17 H32 O16 P2 CCCC(=O)OC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5P5; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 5P5 1 1
2 PIB 1 1
3 I35 0.870968 0.978261
4 DB4 0.84127 1
5 PBU 0.818182 1
6 PIF 0.623377 0.938776
7 PIO 0.620253 0.938776
8 52N 0.620253 0.938776
9 3PI 0.613333 0.957447
10 IP9 0.6 0.918367
11 PII 0.597403 0.918367
12 PIZ 0.592593 0.918367
13 4PT 0.5625 0.9375
14 B7N 0.534884 0.9
15 T7X 0.51087 0.9
16 CN6 0.413793 0.76
17 44E 0.413333 0.795918
18 PSF 0.409639 0.684211
19 CN3 0.404494 0.76
20 PD7 0.402597 0.795918
21 44G 0.402439 0.764706
22 PIE 0.4 0.843137
Similar Ligands (3D)
Ligand no: 1; Ligand: 5P5; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RGQ; Ligand: 5P5; 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: 3rgq.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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