Receptor
PDB id Resolution Class Description Source Keywords
1ZSQ 1.82 Å EC: 3.1.3.- CRYSTAL STRUCTURE OF MTMR2 IN COMPLEX WITH PHOSPHATIDYLINOSITOL 3-PHOSPHATE HOMO SAPIENS PROTEIN-PHOSPHOLIPID COMPLEX HYDROLASE
Ref.: MOLECULAR BASIS FOR SUBSTRATE RECOGNITION BY MTMR2, A MYOTUBULARIN FAMILY PHOSPHOINOSITIDE PHOSPHATASE PROC.NATL.ACAD.SCI.USA V. 103 927 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1878;
A:1879;
A:1880;
A:1881;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PIB A:3632;
Valid;
none;
submit data
554.374 C17 H32 O16 P2 CCCC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZSQ 1.82 Å EC: 3.1.3.- CRYSTAL STRUCTURE OF MTMR2 IN COMPLEX WITH PHOSPHATIDYLINOSITOL 3-PHOSPHATE HOMO SAPIENS PROTEIN-PHOSPHOLIPID COMPLEX HYDROLASE
Ref.: MOLECULAR BASIS FOR SUBSTRATE RECOGNITION BY MTMR2, A MYOTUBULARIN FAMILY PHOSPHOINOSITIDE PHOSPHATASE PROC.NATL.ACAD.SCI.USA V. 103 927 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1ZVR - 3PI C17 H35 O19 P3 CCC[C@H](O....
2 1ZSQ - PIB C17 H32 O16 P2 CCCC(=O)OC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1ZVR - 3PI C17 H35 O19 P3 CCC[C@H](O....
2 1ZSQ - PIB C17 H32 O16 P2 CCCC(=O)OC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1ZVR - 3PI C17 H35 O19 P3 CCC[C@H](O....
2 1ZSQ - PIB C17 H32 O16 P2 CCCC(=O)OC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PIB; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 5P5 1 1
2 PIB 1 1
3 DB4 0.84127 1
4 PBU 0.818182 1
5 PIF 0.623377 0.938776
6 PIO 0.620253 0.938776
7 52N 0.620253 0.938776
8 3PI 0.613333 0.957447
9 IP9 0.6 0.918367
10 PII 0.597403 0.918367
11 PIZ 0.592593 0.918367
12 4PT 0.5625 0.9375
13 B7N 0.534884 0.9
14 T7X 0.51087 0.9
15 CN6 0.413793 0.76
16 44E 0.413333 0.795918
17 PSF 0.409639 0.684211
18 CN3 0.404494 0.76
19 PD7 0.402597 0.795918
20 44G 0.402439 0.764706
21 PIE 0.4 0.843137
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZSQ; Ligand: PIB; 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: 1zsq.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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