Receptor
PDB id Resolution Class Description Source Keywords
1PSC 2 Å EC: 3.1.8.1 PHOSPHOTRIESTERASE FROM PSEUDOMONAS DIMINUTA BREVUNDIMONAS DIMINUTA HYDROLASE PHOSPHORIC TRIESTER
Ref.: THREE-DIMENSIONAL STRUCTURE OF THE BINUCLEAR METAL CENTER OF PHOSPHOTRIESTERASE. BIOCHEMISTRY V. 34 7973 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:801;
A:802;
B:803;
B:804;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
112.411 Cd [Cd+2...
EBP A:900;
B:901;
Valid;
Valid;
none;
none;
submit data
242.251 C12 H19 O3 P CCOP(...
FMT A:901;
B:902;
Invalid;
Invalid;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PSC 2 Å EC: 3.1.8.1 PHOSPHOTRIESTERASE FROM PSEUDOMONAS DIMINUTA BREVUNDIMONAS DIMINUTA HYDROLASE PHOSPHORIC TRIESTER
Ref.: THREE-DIMENSIONAL STRUCTURE OF THE BINUCLEAR METAL CENTER OF PHOSPHOTRIESTERASE. BIOCHEMISTRY V. 34 7973 1995
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1PSC - EBP C12 H19 O3 P CCOP(=O)(C....
2 1P6B - EFS C2 H7 O4 P CCOP(=O)(O....
70% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2R1K - DPF C4 H11 O4 P CCOP(=O)(O....
2 1EZ2 - DII C7 H17 O3 P CC(C)OP(=O....
3 1JGM - PEL C8 H10 O c1ccc(cc1)....
4 2D2H - TZZ C3 H9 O4 P COP(=O)(OC....
5 3C86 - DPJ C4 H11 O3 P S CCOP(=S)(O....
6 1EYW - TEN C6 H15 O4 P CCOP(=O)(O....
7 3OOD - EPL C11 H17 O5 P CCOP(=O)(O....
8 3E3H - EBP C12 H19 O3 P CCOP(=O)(C....
9 3URQ - QMP C7 H15 O3 P CP(=O)(O)O....
10 3A3W - EPL C11 H17 O5 P CCOP(=O)(O....
11 1I0B - PEL C8 H10 O c1ccc(cc1)....
12 1HZY - PEL C8 H10 O c1ccc(cc1)....
13 3CAK - DPF C4 H11 O4 P CCOP(=O)(O....
14 1DPM - EBP C12 H19 O3 P CCOP(=O)(C....
15 2R1P - DPJ C4 H11 O3 P S CCOP(=S)(O....
16 1P6C - EBP C12 H19 O3 P CCOP(=O)(C....
17 1I0D - PEL C8 H10 O c1ccc(cc1)....
18 3UR5 - DPF C4 H11 O4 P CCOP(=O)(O....
19 2R1M - DPF C4 H11 O4 P CCOP(=O)(O....
20 2D2G - DZZ C2 H7 O3 P S COP(=S)(O)....
21 1QW7 - EBP C12 H19 O3 P CCOP(=O)(C....
22 2R1N - EPL C11 H17 O5 P CCOP(=O)(O....
23 2R1L - DPJ C4 H11 O3 P S CCOP(=S)(O....
24 4NP7 - DPJ C4 H11 O3 P S CCOP(=S)(O....
25 1PSC - EBP C12 H19 O3 P CCOP(=O)(C....
26 1P6B - EFS C2 H7 O4 P CCOP(=O)(O....
27 3URB - DPF C4 H11 O4 P CCOP(=O)(O....
28 3URN - QMP C7 H15 O3 P CP(=O)(O)O....
29 4E3T - HLN C16 H21 O3 P CCCCCCP(=O....
50% Homology Family (35)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2R1K - DPF C4 H11 O4 P CCOP(=O)(O....
2 1EZ2 - DII C7 H17 O3 P CC(C)OP(=O....
3 1JGM - PEL C8 H10 O c1ccc(cc1)....
4 2D2H - TZZ C3 H9 O4 P COP(=O)(OC....
5 3C86 - DPJ C4 H11 O3 P S CCOP(=S)(O....
6 1EYW - TEN C6 H15 O4 P CCOP(=O)(O....
7 3OOD - EPL C11 H17 O5 P CCOP(=O)(O....
8 3E3H - EBP C12 H19 O3 P CCOP(=O)(C....
9 3URQ - QMP C7 H15 O3 P CP(=O)(O)O....
10 3A3W - EPL C11 H17 O5 P CCOP(=O)(O....
11 1I0B - PEL C8 H10 O c1ccc(cc1)....
12 1HZY - PEL C8 H10 O c1ccc(cc1)....
13 3CAK - DPF C4 H11 O4 P CCOP(=O)(O....
14 1DPM - EBP C12 H19 O3 P CCOP(=O)(C....
15 2R1P - DPJ C4 H11 O3 P S CCOP(=S)(O....
16 1P6C - EBP C12 H19 O3 P CCOP(=O)(C....
17 1I0D - PEL C8 H10 O c1ccc(cc1)....
18 3UR5 - DPF C4 H11 O4 P CCOP(=O)(O....
19 2R1M - DPF C4 H11 O4 P CCOP(=O)(O....
20 2D2G - DZZ C2 H7 O3 P S COP(=S)(O)....
21 1QW7 - EBP C12 H19 O3 P CCOP(=O)(C....
22 2R1N - EPL C11 H17 O5 P CCOP(=O)(O....
23 2R1L - DPJ C4 H11 O3 P S CCOP(=S)(O....
24 4NP7 - DPJ C4 H11 O3 P S CCOP(=S)(O....
25 1PSC - EBP C12 H19 O3 P CCOP(=O)(C....
26 1P6B - EFS C2 H7 O4 P CCOP(=O)(O....
27 3URB - DPF C4 H11 O4 P CCOP(=O)(O....
28 3URN - QMP C7 H15 O3 P CP(=O)(O)O....
29 4RDY - 3M5 C14 H23 N O4 CCCCCCCC(=....
30 4RDZ - MYR C14 H28 O2 CCCCCCCCCC....
31 4E3T - HLN C16 H21 O3 P CCCCCCP(=O....
32 4H9X - HL4 C8 H13 N O3 CCCC(=O)N[....
33 4H9T - HL4 C8 H13 N O3 CCCC(=O)N[....
34 4KF1 - HT5 C14 H26 N O2 S CCCCCCCCCC....
35 2VC7 Ki = 432 uM HT5 C14 H26 N O2 S CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EBP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EBP 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PSC; Ligand: EBP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1psc.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1PSC; Ligand: EBP; Similar sites found: 25
This union binding pocket(no: 2) in the query (biounit: 1psc.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NHT U46 0.0293 0.40418 1.68919
2 1KPH 10A 0.00599 0.42099 1.74216
3 1BXG HCI 0.01846 0.40314 1.96629
4 1C1X HFA 0.01626 0.42121 1.97183
5 1C1D PHE 0.001903 0.41253 1.97183
6 3WVR AMP 0.002757 0.41322 2.19178
7 3PE2 E1B 0.01849 0.44705 2.37389
8 3WXM GTP 0.004037 0.42072 2.46575
9 4GID 0GH 0.04578 0.41271 2.46575
10 4BNU 9KQ 0.015 0.41189 2.60223
11 1Y3A GDP 0.006035 0.40298 2.73556
12 1F3L SAH 0.004893 0.40598 2.80374
13 3I6I NDP 0.02689 0.4075 2.89017
14 2C0U FAD NBT 0.01046 0.41691 3.0137
15 4B7X NAP 0.004276 0.42682 3.27381
16 3VMF GTP 0.002347 0.42492 3.28767
17 5THQ NDP 0.01957 0.41419 3.67647
18 4M73 M72 0.0179 0.45531 3.85757
19 3WIS FMN 0.001088 0.46184 4.0201
20 3N8K D1X 0.001781 0.4107 4.06977
21 4NCN GTP 0.003547 0.40296 5.20548
22 5UL5 PLM 0.02142 0.41742 6.0274
23 5UL5 8D7 0.02142 0.41742 6.0274
24 3QWB NDP 0.01932 0.40836 7.48503
25 2GWH PCI 0.01046 0.40996 8.05369
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