Receptor
PDB id Resolution Class Description Source Keywords
6WAY 1.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE C-TERMINAL SH2 DOMAIN OF P120RASGAP IN COMPLEX WITH P190RHOG PHOSPHOTYROSINE PEPTIDE HOMO SAPIENS SH2 DOMAIN RASGAP PHOSPHOPEPTIDE PHOSPHOTYROSINE SIGNALIPROTEIN
Ref.: THE GTPASE-ACTIVATING PROTEIN P120RASGAP HAS AN EVOLUTIONARILY CONSERVED "FLVR-UNIQUE" SH2 DOMAIN. J.BIOL.CHEM. V. 295 10511 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE ASP PTR ALA GLU PRO MET ASP ALA NH2 V:1085;
 Valid;
 none;
 Kd = 0.15 uM
1027.96 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6WAY 1.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE C-TERMINAL SH2 DOMAIN OF P120RASGAP IN COMPLEX WITH P190RHOG PHOSPHOTYROSINE PEPTIDE HOMO SAPIENS SH2 DOMAIN RASGAP PHOSPHOPEPTIDE PHOSPHOTYROSINE SIGNALIPROTEIN
Ref.: THE GTPASE-ACTIVATING PROTEIN P120RASGAP HAS AN EVOLUTIONARILY CONSERVED "FLVR-UNIQUE" SH2 DOMAIN. J.BIOL.CHEM. V. 295 10511 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 6WAY Kd = 0.15 uM ACE ASP PTR ALA GLU PRO MET ASP ALA NH2 n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 6WAY Kd = 0.15 uM ACE ASP PTR ALA GLU PRO MET ASP ALA NH2 n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 6WAY Kd = 0.15 uM ACE ASP PTR ALA GLU PRO MET ASP ALA NH2 n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE ASP PTR ALA GLU PRO MET ASP ALA NH2; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE ASP PTR ALA GLU PRO MET ASP ALA NH2 1 1
2 SER ASP PTR MET ASN MET THR PRO 0.519481 0.907895
3 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.512821 0.861111
4 PTR VAL PRO MET LEU 0.510345 0.943662
5 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.503145 0.835443
6 ASP GLY PTR MET PRO 0.489655 0.957747
7 GLU VAL PTR GLU SER PRO 0.46 0.853333
8 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.458904 0.774648
9 PHE SER ALA PTR PRO SER GLU GLU ASP 0.458065 0.792208
10 GLN MET PRO THR GLU ASP GLU TYR 0.45679 0.837838
11 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.453488 0.831169
12 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.453416 0.844156
13 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.45 0.84
14 PRO GLN PTR GLU PTR ILE PRO ALA 0.447853 0.853333
15 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.446429 0.773333
16 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.44375 0.783784
17 PRO GLN PTR GLU GLU ILE PRO ILE 0.441718 0.876712
18 ACE MET GLN SER SEP PRO LEU NH2 0.437909 0.828947
19 LYS PRO PHE PTR VAL ASN VAL NH2 0.436364 0.818182
20 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.431034 0.866667
21 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.431034 0.794872
22 LEU PRO PHE GLU ARG ALA THR VAL MET 0.426966 0.728395
23 THR PRO TYR ASP ILE ASN GLN MET LEU 0.426901 0.815789
24 PRO GLN PTR ILE PTR VAL PRO ALA 0.426829 0.842105
25 GLN ILE MET TYR ASN TYR PRO ALA MET 0.423529 0.792208
26 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.422078 0.716216
27 ILE MET ASP GLN VAL PRO PHE SER VAL 0.421053 0.753247
28 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.418182 0.734177
29 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.417647 0.818182
30 LEU PRO PHE GLU ARG ALA THR ILE MET 0.414365 0.719512
31 SER MET PRO GLU LEU SER PRO VAL LEU 0.411765 0.74026
32 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.411429 0.679012
33 LEU PRO SER PHE GLU THR ALA LEU 0.411043 0.723684
34 LEU PRO PHE ASP LYS THR THR ILE MET 0.410405 0.766234
35 SER PRO ILE VAL PRO SER PHE ASP MET 0.408284 0.75641
36 LEU PRO PHE ASP ARG THR THR ILE MET 0.40678 0.731707
37 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.406061 0.847222
38 THR PRO GLN ASP LEU ASN THR MET LEU 0.403727 0.773333
39 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.403509 0.726027
40 ACE PTR GLU DIY 0.402685 0.837838
41 LEU PRO PHE ASP LYS SER THR ILE MET 0.402235 0.75641
42 GLY GLU ALA TPO VAL PTR ALA 0.401316 0.726027
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE ASP PTR ALA GLU PRO MET ASP ALA NH2; 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 : 6WAY; Ligand: ACE ASP PTR ALA GLU PRO MET ASP ALA NH2; 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: 6way.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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