Receptor
PDB id Resolution Class Description Source Keywords
6L1F 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PHF20L1 TUDOR1 IN COMPLEX WITH K142ME1 HOMO SAPIENS PHF20L1 TUDOR APO METAL BINDING PROTEIN-PEPTIDE COMPLEX
Ref.: CONFORMATIONAL SELECTION IN LIGAND RECOGNITION BY T TUDOR DOMAIN OF PHF20L1. J PHYS CHEM LETT V. 11 7932 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG SER MLZ SER ASP GLY A:140;
 Valid;
 Atoms found LESS than expected: % Diff = 0.022;
 Kd = 0.67 mM
648.719 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6L1P 1.23 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PHF20L1 IN COMPLEX WITH HIT 1 HOMO SAPIENS PHF20L1 TUDOR HIT1 METAL BINDING PROTEIN
Ref.: CONFORMATIONAL SELECTION IN LIGAND RECOGNITION BY T TUDOR DOMAIN OF PHF20L1. J PHYS CHEM LETT V. 11 7932 2020
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6L1P Kd = 0.31 mM E3X C12 H15 N O CN1CCC(=CC....
2 6L1F Kd = 0.67 mM ARG SER MLZ SER ASP GLY n/a n/a
3 6L0X - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6L1P Kd = 0.31 mM E3X C12 H15 N O CN1CCC(=CC....
2 6L1F Kd = 0.67 mM ARG SER MLZ SER ASP GLY n/a n/a
3 6L0X - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6L1P Kd = 0.31 mM E3X C12 H15 N O CN1CCC(=CC....
2 6L1F Kd = 0.67 mM ARG SER MLZ SER ASP GLY n/a n/a
3 6L0X - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ARG SER MLZ SER ASP GLY; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG SER MLZ SER ASP GLY 1 1
2 LEU LYS SER MLZ LYS GLY GLN SER THR TYR 0.556701 0.827586
3 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.540816 0.912281
4 SER LYS SER MLZ ASP ARG LYS TYR THR LEU 0.514852 0.842105
5 ARG SER ARG 0.511364 0.821429
6 ARG ASP ALA ALA 0.505495 0.767857
7 ARG LEU GLY GLU SER 0.488889 0.706897
8 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.486239 0.813559
9 ALA ARG MLZ SER THR GLY GLY ALY 0.467742 0.965517
10 THR PRO ARG ARG SER MLZ SER ALA 0.462185 0.782609
11 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.435374 0.736111
12 GLN THR ALA ARG M3L SER THR GLY 0.432 0.84375
13 ALA THR ARG ASN PHE SER GLY 0.422764 0.774194
14 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.422414 0.896552
15 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.417323 0.777778
16 ALA ARG MLZ SER ALA PRO ALA THR 0.416667 0.797101
17 LYS GLN THR ALA ARG M3L SER THR GLY 0.411765 0.84375
18 ARG ARG ALA ALA 0.408163 0.736842
19 VAL ARG SER ARG ARG ABA LEU ARG LEU 0.40708 0.830508
20 LYS ALA ALA ARG M3L SER ALA 0.403361 0.84127
21 THR ALA ARG MYK SER THR GLY 0.403101 0.898305
22 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.4 0.839286
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG SER MLZ SER ASP GLY; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6L1P; Ligand: E3X; 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: 6l1p.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6L1P; Ligand: E3X; 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: 6l1p.bio4) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6L1P; Ligand: E3X; 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: 6l1p.bio3) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6L1P; Ligand: E3X; 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: 6l1p.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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