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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 2 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 (34)
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 4RDZ - MYR C14 H28 O2 CCCCCCCCCC....
30 4E3T - HLN C16 H21 O3 P CCCCCCP(=O....
31 4H9X - HL4 C8 H13 N O3 CCCC(=O)N[....
32 4H9T - HL4 C8 H13 N O3 CCCC(=O)N[....
33 4KF1 - HT5 C14 H26 N O2 S CCCCCCCCCC....
34 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 with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 1psc.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 3DR4 G4M 2.19178
2 3NDJ SAH 3.56164
3 3NDJ JHZ 3.56164
4 1AKV FMN 9.52381
Pocket No.: 2; Query (leader) PDB : 1PSC; Ligand: EBP; Similar sites found with APoc: 43
This union binding pocket(no: 2) in the query (biounit: 1psc.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 3NHT U46 1.68919
2 1KPH 10A 1.74216
3 3CH5 GDP 1.85185
4 1BW9 PPY 1.96629
5 1BXG HCI 1.96629
6 1C1X HFA 1.97183
7 1C1D PHE 1.97183
8 3WVR AMP 2.19178
9 3WXM GTP 2.46575
10 4BNU 9KQ 2.60223
11 1Y3A GDP 2.73556
12 1F3L SAH 2.80374
13 5H62 UDP 2.87356
14 3I6I NDP 2.89017
15 1GNI OLA 3.0137
16 2C0U FAD NBT 3.0137
17 5WRE 7TL 3.22581
18 4B7X NAP 3.27381
19 3VMF GTP 3.28767
20 2Q1S NAI 3.28767
21 5WKC FAD 3.28767
22 2OWZ CIT 3.31325
23 6A3J NAI 3.56164
24 5THQ NDP 3.67647
25 4M73 SAH 3.85757
26 4M73 M72 3.85757
27 3WIS FMN 4.0201
28 3N8K D1X 4.06977
29 5W8Q BU4 4.38356
30 3OA2 NAD 4.71698
31 2VSU ACO 4.72727
32 1RP0 AHZ 4.92958
33 4NCN GTP 5.20548
34 3FKQ ATP 5.36193
35 5F2T PLM 5.51948
36 2ZV2 609 5.7047
37 5VOP C2F 5.74324
38 4RSE PLM 6.0274
39 5UL5 8D7 6.0274
40 5UL5 PLM 6.0274
41 3T4L ZEA 7.40741
42 3QWB NDP 7.48503
43 2GWH PCI 8.05369
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