Receptor
PDB id Resolution Class Description Source Keywords
4GQB 2.06 Å EC: 2.1.1.125 CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX HOMO SAPIENS TIM BARREL BETA-PROPELLER METHYLTRANSFERASE METHYLATION TRANSFERASE-PROTEIN BINDING COMPLEX
Ref.: CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX. PROC.NATL.ACAD.SCI.USA V. 109 17960 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0XU A:701;
Valid;
none;
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379.371 C15 H21 N7 O5 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GQB 2.06 Å EC: 2.1.1.125 CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX HOMO SAPIENS TIM BARREL BETA-PROPELLER METHYLTRANSFERASE METHYLATION TRANSFERASE-PROTEIN BINDING COMPLEX
Ref.: CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX. PROC.NATL.ACAD.SCI.USA V. 109 17960 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4GQB - 0XU C15 H21 N7 O5 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4GQB - 0XU C15 H21 N7 O5 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4GQB - 0XU C15 H21 N7 O5 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0XU; Similar ligands found: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 0XU 1 1
2 SFG 0.522222 0.938462
3 SA8 0.494624 0.847222
4 EEM 0.479167 0.824324
5 SAH 0.473684 0.897059
6 SAI 0.473684 0.884058
7 0UM 0.465347 0.835616
8 5X8 0.457447 0.895522
9 S7M 0.454545 0.824324
10 Y3J 0.439024 0.80303
11 62X 0.432692 0.792208
12 VRT 0.428571 0.84507
13 A3G 0.428571 0.855072
14 K15 0.428571 0.813333
15 A3S 0.421053 0.867647
16 CC5 0.419753 0.848485
17 7D7 0.419753 0.742857
18 5CD 0.416667 0.835821
19 KB1 0.416667 0.835616
20 ADN 0.414634 0.823529
21 RAB 0.414634 0.823529
22 XYA 0.414634 0.823529
23 2VA 0.412371 0.802817
24 SAM 0.41 0.824324
25 5AD 0.407407 0.828125
26 5N5 0.404762 0.823529
27 KH3 0.403509 0.802632
28 2AM 0.4 0.701299
29 A4D 0.4 0.823529
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4GQB; Ligand: 0XU; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4gqb.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2YX1 SFG 8.92857
Pocket No.: 2; Query (leader) PDB : 4GQB; Ligand: 0XU; 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: 4gqb.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4GQB; Ligand: 0XU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4gqb.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4GQB; Ligand: 0XU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4gqb.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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