Receptor
PDB id Resolution Class Description Source Keywords
4MZF 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN SPINDLIN1 BOUND TO HISTONE H3(K4M PEPTIDE HOMO SAPIENS WNT SIGNAL HISTONE H3 NUCLEAR GENE REGULATION
Ref.: MOLECULAR BASIS UNDERLYING HISTONE H3 LYSINE-ARGINI METHYLATION PATTERN READOUT BY SPIN/SSTY REPEATS OF SPINDLIN1 GENES DEV. V. 28 622 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:303;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
CL B:301;
B:302;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
ALA ARG THR M3L GLN THR ALA DA2 LYS A:1;
Valid;
none;
submit data
1117.41 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JSJ 2.35 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SPINDLIN1 BOUND TO COMPOUND EML631 HOMO SAPIENS TUDOR DOMAIN CELL CYCLE
Ref.: DEVELOPING SPINDLIN1 SMALL-MOLECULE INHIBITORS BY U PROTEIN MICROARRAYS NAT. CHEM. BIOL. V. 13 750 2017
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5JSJ Kd = 3 uM 6PD C41 H60 N6 O3 c1cc(ccc1N....
2 4MZF - ALA ARG THR M3L GLN THR ALA DA2 LYS n/a n/a
3 4MZH - ALA ARG THR M3L GLN THR ALA 2MR LYS n/a n/a
4 5JSG Kd = 15 uM 6P9 C36 H51 N5 O2 c1ccc(cc1)....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5JSJ Kd = 3 uM 6PD C41 H60 N6 O3 c1cc(ccc1N....
2 4MZF - ALA ARG THR M3L GLN THR ALA DA2 LYS n/a n/a
3 4MZH - ALA ARG THR M3L GLN THR ALA 2MR LYS n/a n/a
4 5JSG Kd = 15 uM 6P9 C36 H51 N5 O2 c1ccc(cc1)....
5 4H75 - ALA ARG THR M3L GLN THR ALA ARG n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5JSJ Kd = 3 uM 6PD C41 H60 N6 O3 c1cc(ccc1N....
2 4MZF - ALA ARG THR M3L GLN THR ALA DA2 LYS n/a n/a
3 4MZH - ALA ARG THR M3L GLN THR ALA 2MR LYS n/a n/a
4 5JSG Kd = 15 uM 6P9 C36 H51 N5 O2 c1ccc(cc1)....
5 4H75 - ALA ARG THR M3L GLN THR ALA ARG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA ARG THR M3L GLN THR ALA DA2 LYS; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG THR M3L GLN THR ALA DA2 LYS 1 1
2 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.8 1
3 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.710744 0.983871
4 ALA ARG THR LYS GLN THR ALA ARG LYS 0.692308 0.819672
5 ALA ARG THR LYS GLN THR ALA ARG 0.692308 0.819672
6 ALA ARG THR M3L GLN THR ALA ARG 0.666667 0.983871
7 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.628788 1
8 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.628099 0.819672
9 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.625 1
10 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.625 1
11 ALA ARG THR M3L GLN THR ALA 0.625 1
12 ALA ARG THR MLY GLN THR ALA ARG LYS 0.624 0.967213
13 ALA ARG THR M3L GLN THR ALA ARG LYS 0.619835 1
14 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.576923 0.887097
15 GLN THR ALA ARG M3L SER THR GLY 0.555556 0.983871
16 ALA ARG M3L SER 0.516949 0.919355
17 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.515873 0.95082
18 ALA ARG THR ALY GLN THR ALA 0.515625 0.852459
19 ALA ARG THR MLY GLN THR ALA 0.511628 0.967213
20 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.511628 0.967213
21 LYS GLN THR ALA ARG M3L SER THR GLY 0.511278 0.983871
22 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.507692 0.885246
23 ALA 2MR THR MLY GLN THR ALA ALA 0.5 0.951613
24 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.495935 0.758065
25 ALA GLN THR ALA ARG ALY SER THR 0.492754 0.83871
26 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.483051 0.741935
27 ALA ARG THR MLY GLN THR ALA ARG TYR 0.482759 0.867647
28 LYS ALA ALA ARG M3L SER ALA 0.481203 0.951613
29 ACE ALA ARG THR LYS GLN 0.48 0.786885
30 GLU ALA GLN THR ARG LEU 0.470149 0.790323
31 ACE GLN THR ALA ARG KCR SER THR 0.468966 0.809524
32 THR ALA ARG M3L SER THR GLY GLY LYS ALA 0.466216 0.983871
33 ALA ARG THR MLY GLN 0.465116 0.935484
34 ALA THR PRK ALA ALA ARG LYS SER 0.449612 0.68254
35 ALA ALA LEU THR ARG ALA 0.446154 0.786885
36 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.44186 0.854839
37 ALA ARG M3L SER CYS GLY GLY LYS 08P 0.43871 0.869565
38 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.428571 0.777778
39 GLN ARG ALA THR LYS MET NH2 0.42446 0.854839
40 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.42446 0.822581
41 ALA ARG M3L SER THR GLY GLY ALY 0.422819 0.953125
42 THR ARG ARG GLU THR GLN LEU 0.422222 0.822581
43 ALA ARG LYS SEP THR GLY GLY LYS 0.421769 0.764706
44 ALA LYS ALA SER GLN ALA ALA 0.417323 0.66129
45 ALA ALA THR M3L GLN THR ALA ARG 0.416667 0.836066
46 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.408451 0.8125
47 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.408046 0.824324
48 GLU THR VAL ARG PHE GLN SER ASP 0.407643 0.742424
49 ALA ARG THR GLU LEU TYR ARG SER LEU 0.405229 0.73913
50 THR ALA ARG M3L SER THR 0.404762 0.919355
51 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.401361 0.746032
52 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.401361 0.746032
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JSJ; Ligand: 6PD; 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: 5jsj.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5JSJ; Ligand: 6PD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5jsj.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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