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: 40
This union binding pocket(no: 1) in the query (biounit: 1zsq.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1U26 IHS 0.0001439 0.49307 2.07715
2 1U8X G6P 0.0253 0.40621 2.11864
3 2CJZ PTR 0.000001149 0.65355 2.29508
4 5KOH HCA 0.02127 0.40559 2.40481
5 3K8L CEY 0.02943 0.405 2.46212
6 4XNV BUR 0.01125 0.41518 2.85036
7 1OHE ACE ALA SEP PRO 0.00005615 0.53999 2.87356
8 3F81 STT 0.000002025 0.63994 3.27869
9 4RW3 TDA 0.002596 0.42453 3.31126
10 1D1Q 4NP 0.00005022 0.54927 3.72671
11 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.02292 0.41083 4.1841
12 1SGJ OAA 0.01401 0.41172 4.57746
13 1UPR 4IP 0.008053 0.42167 4.87805
14 4URN NOV 0.019 0.41007 4.88889
15 4J51 N75 0.002916 0.46095 4.90798
16 2HIM ASN 0.01193 0.42298 5.02793
17 2HIM ASP 0.01398 0.41995 5.02793
18 3LN9 FLC 0.008623 0.40684 5.03597
19 2JK0 ASP 0.02416 0.40392 5.23077
20 2PZE ATP 0.03161 0.40031 6.55022
21 4DW4 U5P 0.0134 0.41792 6.58683
22 1PA9 CSN 0.0002427 0.48253 6.69014
23 2H04 4UN 0.000717 0.45123 7.02875
24 5OCA 9QZ 0.0371 0.40304 8.40336
25 5V4R MGT 0.0234 0.41124 8.64198
26 5C2F JTH 0.02033 0.4016 8.99281
27 2IMG MLT 0.000004395 0.61343 9.27152
28 3V0H I3P 0.00001572 0.56834 10.6195
29 3O5X JZG 0.001927 0.44541 11.9565
30 3RGQ 5P5 0.000005732 0.59715 12.1795
31 3O2Q PRO THR SEP PRO SER TYR 0.001534 0.43249 14.0187
32 5KQG 6VX 0.0007551 0.47017 14.0449
33 4V3I ASP LEU THR ARG PRO 0.002174 0.46529 14.3969
34 2X2T GAL NGA 0.006638 0.44175 15.0327
35 3HOK Q80 0.007413 0.41353 15.8798
36 2VWA PTY 0.01043 0.42015 16.8317
37 3WUR O4B 0.01676 0.41189 16.9591
38 4WGF HX2 0.0002688 0.52154 21.9512
39 4LFL TG6 0.0186 0.40222 23.2558
40 4WOH 4NP 0.0000005495 0.66039 37.3494
Feedback