Receptor
PDB id Resolution Class Description Source Keywords
4NZ6 2 Å EC: 5.4.99.12 STEROID RECEPTOR RNA ACTIVATOR (SRA) MODIFICATION BY THE HUM PSEUDOURIDINE SYNTHASE 1 (HPUS1P): RNA BINDING, ACTIVITY, AM ODEL HOMO SAPIENS NUCLEAR RECEPTOR COACTIVATOR STEROID RECEPTOR RNA ACTIVATORPSEUDOURIDYLATION NUCLEUS MITOCHONDRIAL ISOMERASE
Ref.: STEROID RECEPTOR RNA ACTIVATOR (SRA) MODIFICATION B HUMAN PSEUDOURIDINE SYNTHASE 1 (HPUS1P): RNA BINDIN ACTIVITY, AND ATOMIC MODEL PLOS ONE V. 9 94610 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DLY A:403;
Valid;
none;
submit data
146.188 C6 H14 N2 O2 C(CCN...
EDO A:401;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
DGL B:401;
Valid;
none;
submit data
147.129 C5 H9 N O4 C(CC(...
PGE A:402;
Invalid;
none;
submit data
150.173 C6 H14 O4 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NZ6 2 Å EC: 5.4.99.12 STEROID RECEPTOR RNA ACTIVATOR (SRA) MODIFICATION BY THE HUM PSEUDOURIDINE SYNTHASE 1 (HPUS1P): RNA BINDING, ACTIVITY, AM ODEL HOMO SAPIENS NUCLEAR RECEPTOR COACTIVATOR STEROID RECEPTOR RNA ACTIVATORPSEUDOURIDYLATION NUCLEUS MITOCHONDRIAL ISOMERASE
Ref.: STEROID RECEPTOR RNA ACTIVATOR (SRA) MODIFICATION B HUMAN PSEUDOURIDINE SYNTHASE 1 (HPUS1P): RNA BINDIN ACTIVITY, AND ATOMIC MODEL PLOS ONE V. 9 94610 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NZ6 - DGL C5 H9 N O4 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NZ6 - DGL C5 H9 N O4 C(CC(=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NZ6 - DGL C5 H9 N O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DLY; Similar ligands found: 54
No: Ligand ECFP6 Tc MDL keys Tc
1 DLY 1 1
2 ORN 0.714286 0.961538
3 2YG 0.609756 0.742857
4 API 0.607143 0.758621
5 DHH 0.59375 0.733333
6 LYS 0.59375 0.962963
7 2YJ 0.585366 0.742857
8 NPI 0.575758 0.733333
9 DAB 0.571429 0.857143
10 8SZ 0.542857 0.6
11 NLE 0.53125 0.7
12 MLY 0.527778 0.657895
13 MLZ 0.527778 0.787879
14 5CT 0.52381 0.764706
15 11C 0.515152 0.7
16 UN1 0.515152 0.7
17 0TF 0.511628 0.742857
18 HRG 0.487179 0.787879
19 ALY 0.487179 0.764706
20 ONH 0.485714 0.714286
21 EXY 0.475 0.638889
22 NOT 0.475 0.735294
23 26P 0.472222 0.636364
24 6CL 0.472222 0.733333
25 HSE 0.466667 0.709677
26 2YH 0.465116 0.735294
27 2RA 0.464286 0.758621
28 CIR 0.459459 0.714286
29 HCS 0.451613 0.785714
30 NVA 0.451613 0.689655
31 2NP 0.447368 0.628571
32 ARG 0.447368 0.735294
33 DAR 0.447368 0.735294
34 LBY 0.434783 0.619048
35 REZ 0.431818 0.638889
36 MSE 0.428571 0.617647
37 DGL 0.424242 0.666667
38 GLU 0.424242 0.666667
39 GLN 0.424242 0.65625
40 DGN 0.424242 0.65625
41 GGL 0.424242 0.666667
42 ILO 0.414634 0.735294
43 DSN 0.413793 0.666667
44 DBB 0.413793 0.642857
45 ABA 0.413793 0.642857
46 SER 0.413793 0.666667
47 SHR 0.413043 0.83871
48 DDK 0.410256 0.709677
49 DDW 0.410256 0.733333
50 CUW 0.405405 0.806452
51 C2N 0.4 0.678571
52 DCY 0.4 0.714286
53 ONL 0.4 0.606061
54 CYS 0.4 0.714286
Ligand no: 2; Ligand: DGL; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GGL 1 1
2 GLU 1 1
3 DGL 1 1
4 DGN 0.62963 0.821429
5 GLN 0.62963 0.821429
6 ONL 0.586207 0.821429
7 UN1 0.566667 0.96
8 11C 0.566667 0.96
9 HCS 0.555556 0.714286
10 NPI 0.53125 0.923077
11 HGA 0.53125 0.666667
12 HSE 0.518519 0.758621
13 DAB 0.518519 0.666667
14 MEQ 0.515152 0.71875
15 3O3 0.513514 0.727273
16 NVA 0.5 0.740741
17 API 0.5 0.884615
18 DAS 0.481481 0.846154
19 ASP 0.481481 0.846154
20 TNA 0.463415 0.685714
21 DBB 0.461538 0.692308
22 ABA 0.461538 0.692308
23 DSN 0.461538 0.655172
24 SER 0.461538 0.655172
25 RGP 0.459459 0.648649
26 ORN 0.451613 0.689655
27 HOZ 0.451613 0.666667
28 AE5 0.447368 0.727273
29 DCY 0.444444 0.642857
30 C2N 0.444444 0.666667
31 CYS 0.444444 0.642857
32 NLE 0.4375 0.689655
33 2HG 0.433333 0.653846
34 S2G 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 DLY 0.424242 0.666667
39 MED 0.424242 0.625
40 MET 0.424242 0.625
41 MSE 0.424242 0.606061
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 DHH 0.411765 0.851852
46 LYS 0.411765 0.645161
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 AS2 0.4 0.84
50 5OY 0.4 0.648649
51 ONH 0.4 0.611111
52 2JJ 0.4 0.648649
53 LEU 0.4 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NZ6; Ligand: DGL; 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: 4nz6.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4NZ6; Ligand: DLY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4nz6.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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