Receptor
PDB id Resolution Class Description Source Keywords
1NU2 1.9 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE MURINE DISABLED-1 (DAB1) PTB DOMAIN PEPTIDE-PI-4,5P2 TERNARY COMPLEX MUS MUSCULUS BETA-SANDWICH SIGNALING PROTEIN
Ref.: ORIGINS OF PEPTIDE SELECTIVITY AND PHOSPHOINOSITIDE REVEALED BY STRUCTURES OF DISABLED-1 PTB DOMAIN COM STRUCTURE V. 11 569 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASN PHE ASP ASN PRO VAL TYR ARG LYS THR B:5;
 Valid;
 none;
 submit data
n/a n/a
I3P A:200;
 Valid;
 none;
 submit data
420.096 C6 H15 O15 P3 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NTV 1.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE DISABLED-1 (DAB1) PTB DOMAIN-APOER2 COMPLEX MUS MUSCULUS BETA-SANDWICH SIGNALING PROTEIN
Ref.: ORIGINS OF PEPTIDE SELECTIVITY AND PHOSPHOINOSITIDE REVEALED BY STRUCTURES OF DISABLED-1 PTB DOMAIN COM STRUCTURE V. 11 569 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 1NTV - ASN PHE ASP ASN PRO VAL TYR ARG LYS THR n/a n/a
2 1OQN - I3P C6 H15 O15 P3 [C@H]1([C@....
3 1NU2 - I3P C6 H15 O15 P3 [C@H]1([C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 1M7E - ASN GLY TYR GLU ASN PRO THR TYR LYS n/a n/a
2 1NTV - ASN PHE ASP ASN PRO VAL TYR ARG LYS THR n/a n/a
3 1OQN - I3P C6 H15 O15 P3 [C@H]1([C@....
4 1NU2 - I3P C6 H15 O15 P3 [C@H]1([C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 1M7E - ASN GLY TYR GLU ASN PRO THR TYR LYS n/a n/a
2 1NTV - ASN PHE ASP ASN PRO VAL TYR ARG LYS THR n/a n/a
3 1OQN - I3P C6 H15 O15 P3 [C@H]1([C@....
4 1NU2 - I3P C6 H15 O15 P3 [C@H]1([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASN PHE ASP ASN PRO VAL TYR ARG LYS THR; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: I3P; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 I3S 1 1
2 I3P 1 1
3 4IP 0.724138 0.966667
4 2IP 0.692308 1
5 I0P 0.678571 0.966667
6 ITP 0.655172 1
7 I4P 0.653846 0.933333
8 IP2 0.642857 1
9 5IP 0.6 0.933333
10 I5P 0.6 0.933333
11 IP5 0.6 0.933333
12 5MY 0.6 0.933333
13 I4D 0.566667 0.966667
14 IBS 0.511111 0.789474
15 I6P 0.481481 0.933333
16 IHP 0.481481 0.933333
Similar Ligands (3D)
Ligand no: 1; Ligand: ASN PHE ASP ASN PRO VAL TYR ARG LYS THR; Similar ligands found: 1
No: Ligand Similarity coefficient
1 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 1.0000
Ligand no: 2; Ligand: I3P; Similar ligands found: 1
No: Ligand Similarity coefficient
1 Y3 0.8807
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NTV; Ligand: ASN PHE ASP ASN PRO VAL TYR ARG LYS THR; 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: 1ntv.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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