Receptor
PDB id Resolution Class Description Source Keywords
2DXP 2.1 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF THE COMPLEX OF THE ARCHAEAL SULFOLOBUS PTP-FOLD PHOSPHATASE WITH PHOSPHOPEPTIDES A-(P)Y-R SULFOLOBUS SOLFATARICUS PTP DOMAIN HYDROLASE
Ref.: ENZYME-SUBSTRATE INTERACTIONS REVEALED BY THE CRYSTAL STRUCTURES OF THE ARCHAEAL SULFOLOBUS PTP-FOLD PHOSPHATASE AND ITS PHOSPHOPEPTIDE COMPLEXES PROTEINS V. 66 996 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA PTR ARG B:170;
 Valid;
 none;
 submit data
487.43 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2I6O 1.9 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF THE COMPLEX OF THE ARCHAEAL SULFOLOBUS PTP-FOLD PHOSPHATASE WITH PHOSPHOPEPTIDES N-G-(P)Y-K-N SULFOLOBUS SOLFATARICUS PTP DOMAIN TYROSINE PHOSPHATASE HYDROLASE
Ref.: ENZYME-SUBSTRATE INTERACTIONS REVEALED BY THE CRYSTAL STRUCTURES OF THE ARCHAEAL SULFOLOBUS PTP-FOLD PHOSPHATASE AND ITS PHOSPHOPEPTIDE COMPLEXES PROTEINS V. 66 996 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 2DXP - ALA PTR ARG n/a n/a
2 2I6P - 4NP C6 H6 N O6 P c1cc(ccc1[....
3 2I6O - ASN LYS PTR GLY ASN CA n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 2DXP - ALA PTR ARG n/a n/a
2 2I6P - 4NP C6 H6 N O6 P c1cc(ccc1[....
3 2I6O - ASN LYS PTR GLY ASN CA n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 2DXP - ALA PTR ARG n/a n/a
2 2I6P - 4NP C6 H6 N O6 P c1cc(ccc1[....
3 2I6O - ASN LYS PTR GLY ASN CA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA PTR ARG; Similar ligands found: 36
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA PTR ARG 1 1
2 PTR LEU ARG VAL ALA 0.528302 0.949153
3 ALA GLN PHE SER ALA SER ALA SER ARG 0.52381 0.714286
4 ALA TYR ARG 0.494624 0.824561
5 ALA ARG TPO LYS 0.464646 0.819672
6 ASN LYS PTR GLY ASN CA 0.462963 0.806452
7 ACE PTR GLU DIP 0.46 0.720588
8 ALA ARG 0.448718 0.714286
9 ACE PTR GLU GLU GLY 0.443299 0.847458
10 ALA ARG THR GLU LEU TYR ARG SER LEU 0.442623 0.742424
11 ARG SER ARG 0.44186 0.672131
12 ACE PTR GLU GLU ILE GLU 0.441176 0.770492
13 LEU THR GLU PTR VAL ALA THR ARG 0.436893 0.746032
14 LEU ASP GLU PTR VAL ALA THR ARG 0.432692 0.783333
15 ALA LYS PHE ARG HIS ASP 0.432203 0.671642
16 SER ASP TYR GLN ARG LEU 0.431193 0.774194
17 GLY ASN PHE LEU GLN SER ARG 0.428571 0.671642
18 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.426966 0.719298
19 GLY GLY ARG LYS LYS TYR LYS LEU 0.426087 0.75
20 GLY GLY LYS LYS LYS TYR ARG LEU 0.426087 0.75
21 GLY GLY LYS LYS ARG TYR LYS LEU 0.426087 0.75
22 CYS ASP PTR ALA ASN PHE LYS 0.42268 0.622951
23 SER PTR VAL ASN VAL GLN ASN 0.421053 0.753846
24 ASP GLU PTR GLU ASN VAL ASP 0.419643 0.774194
25 ALA ARG 9AT 0.418605 0.672131
26 ALA PHE ARG ILE PRO LEU THR ARG 0.41791 0.618421
27 PHE TYR ARG ALA LEU MET 0.414634 0.727273
28 GLU LEU ARG ARG LYS MET MET TYR MET 0.414634 0.731343
29 SEP GLN GLU PTR 0.413462 0.8
30 LYS ARG ARG LYS SEP VAL 0.413462 0.777778
31 PHE ARG TYR LEU GLY 0.412281 0.75
32 ALA MET TYR LYS 0.411765 0.65625
33 ACE PTR GLU GLU ILE ACE 0.407767 0.783333
34 LYS ARG LYS 0.406593 0.689655
35 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.405172 0.738462
36 SER SER ARG LYS GLU TYR TYR ALA 0.403509 0.761905
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA PTR ARG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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