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Receptor
PDB id Resolution Class Description Source Keywords
3TL0 2.05 Å EC: 3.1.3.48 STRUCTURE OF SHP2 N-SH2 DOMAIN IN COMPLEX WITH RLNPYAQLWHR P HOMO SAPIENS SH2 DOMAIN PROTEIN-PROTEIN INTERACTIONS PHOSPHORYLATED TYRHYDROLASE-PEPTIDE COMPLEX
Ref.: SIMULTANEOUS BINDING OF TWO PEPTIDYL LIGANDS BY A S HOMOLOGY 2 DOMAIN. BIOCHEMISTRY V. 50 7637 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG B:200;
Valid;
none;
Kd = 0.26 uM
797.824 n/a P(=O)...
SO4 A:107;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TL0 2.05 Å EC: 3.1.3.48 STRUCTURE OF SHP2 N-SH2 DOMAIN IN COMPLEX WITH RLNPYAQLWHR P HOMO SAPIENS SH2 DOMAIN PROTEIN-PROTEIN INTERACTIONS PHOSPHORYLATED TYRHYDROLASE-PEPTIDE COMPLEX
Ref.: SIMULTANEOUS BINDING OF TWO PEPTIDYL LIGANDS BY A S HOMOLOGY 2 DOMAIN. BIOCHEMISTRY V. 50 7637 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 3TL0 Kd = 0.26 uM ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG n/a n/a
2 3TKZ Kd = 1.2 uM ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 3TL0 Kd = 0.26 uM ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG n/a n/a
2 3TKZ Kd = 1.2 uM ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 3TL0 Kd = 0.26 uM ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG n/a n/a
2 3TKZ Kd = 1.2 uM ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG; Similar ligands found: 30
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG 1 1
2 LEU PTR LEU 0.505263 0.921569
3 PHE SER ALA PTR VAL SER GLU GLU ASP 0.47541 0.827586
4 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.473214 0.660714
5 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.457627 0.796296
6 ARG GLN ALA ASN PHE LEU GLY LYS 0.457627 0.655172
7 LEU ASP GLU PTR VAL ALA THR ARG 0.447368 0.888889
8 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.441176 0.704918
9 ACE ASP ASP PTR VAL ASN VAL 0.435897 0.943396
10 ACE PTR VAL ASN VAL 0.428571 0.943396
11 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.427481 0.7
12 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.426471 0.741379
13 LYS ALA LEU TYR ASN PHE ALA THR MET 0.425532 0.641791
14 SER PTR VAL ASN VAL GLN ASN 0.424 0.847458
15 GLU ASN LEU TYR PHE GLN 0.422764 0.724138
16 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.418605 0.6875
17 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.417808 0.68
18 LEU THR GLU PTR VAL ALA THR ARG 0.417391 0.875
19 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.414815 0.66129
20 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.414815 0.688525
21 GLY ASN TYR SER PHE TYR ALA LEU 0.41129 0.704918
22 ACE PRO ASP PTR GLU ASN LEU 0.410448 0.728571
23 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.409836 0.660714
24 SER LEU TYR ASN THR VAL ALA THR LEU 0.407692 0.754386
25 SER PHE ALA ASN GLY 0.40708 0.610169
26 TYR LEU PHE VAL GLN ARG ASP SER LYS GLU 0.405941 0.730769
27 SER LEU TYR ASN THR ILE ALA THR LEU 0.40458 0.728814
28 SER LEU TYR ASN VAL VAL ALA THR LEU 0.40458 0.754386
29 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.403974 0.647059
30 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.403361 0.616667
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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