Receptor
PDB id Resolution Class Description Source Keywords
2R7G 1.67 Å NON-ENZYME: OTHER STRUCTURE OF THE RETINOBLASTOMA PROTEIN POCKET DOMAIN IN COM ADENOVIRUS E1A CR1 DOMAIN HOMO SAPIENS RETINOBLASTOMA PROTEIN E1A E2F DISPLACEMENT TRANSCRIPTIONREPRESSOR CELL CYCLE
Ref.: STRUCTURE OF THE RETINOBLASTOMA PROTEIN BOUND TO AD E1A REVEALS THE MOLECULAR BASIS FOR VIRAL ONCOPROTE INACTIVATION OF A TUMOR SUPPRESSOR GENES DEV. V. 21 2711 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO PRO THR LEU HIS GLU LEU TYR ASP LEU B:40;
D:40;
E:40;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
1067.19 n/a O=C(N...
SO4 A:902;
C:901;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2R7G 1.67 Å NON-ENZYME: OTHER STRUCTURE OF THE RETINOBLASTOMA PROTEIN POCKET DOMAIN IN COM ADENOVIRUS E1A CR1 DOMAIN HOMO SAPIENS RETINOBLASTOMA PROTEIN E1A E2F DISPLACEMENT TRANSCRIPTIONREPRESSOR CELL CYCLE
Ref.: STRUCTURE OF THE RETINOBLASTOMA PROTEIN BOUND TO AD E1A REVEALS THE MOLECULAR BASIS FOR VIRAL ONCOPROTE INACTIVATION OF A TUMOR SUPPRESSOR GENES DEV. V. 21 2711 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2R7G - PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 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 1331 families.
1 2R7G - PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 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 1144 families.
1 4YOZ - ASP LEU TYR CYS TYR GLU GLN LEU ASN n/a n/a
2 2R7G - PRO PRO THR LEU HIS GLU LEU TYR ASP LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO PRO THR LEU HIS GLU LEU TYR ASP LEU; Similar ligands found: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 1 1
2 ACE ASP PRO PRO LEU HIS SER TPO ALA NH2 0.5125 0.815789
3 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.505882 0.913043
4 HIS SER ILE THR TYR LEU LEU PRO VAL 0.494118 0.957143
5 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.48503 0.851351
6 PRO HIS THR ASN GLU THR SEP LEU 0.484663 0.776316
7 PRO PRO HIS SER TPO 0.48366 0.789474
8 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.480447 0.820513
9 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.477273 0.941176
10 LEU PRO PRO GLU GLU ARG LEU ILE 0.474359 0.743243
11 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.465517 0.928571
12 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.460674 0.88
13 DHI PRO PHE HIS LEU LEU VAL TYR 0.457143 0.898551
14 PRO SER TYR SEP PRO THR SEP PRO SER 0.45679 0.789474
15 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.455056 0.927536
16 ARG LEU TYR HIS SEP LEU PRO ALA 0.452514 0.8125
17 GLU ALA ASP PRO THR GLY HIS SER TYR 0.452514 0.956522
18 SER LEU PHE HIS 22G THR PRO 0.446927 0.957143
19 ARG ARG GLU VAL HIS THR TYR TYR 0.446429 0.797297
20 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.444444 0.823529
21 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.438356 0.705882
22 TYR TYR SER ILE ILE PRO HIS SER ILE 0.43787 0.929577
23 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.437158 0.821918
24 TYR TYR SER ILE ALA PRO HIS SER ILE 0.436047 0.902778
25 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.435484 0.873239
26 PIV HIS PRO PHE HIS LPL TYR TYR SER 0.434066 0.849315
27 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.432749 0.929577
28 GLU PRO VAL GLU THR THR ASP TYR 0.432099 0.897059
29 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.431818 0.913043
30 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.428571 0.813333
31 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.428571 0.819444
32 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.427027 0.863014
33 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.427027 0.842857
34 GLN MET PRO THR GLU ASP GLU TYR 0.426901 0.861111
35 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.423729 0.821918
36 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.423729 0.84058
37 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.42236 0.84058
38 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.422222 0.885714
39 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.421348 0.821918
40 PRO GLN PTR GLU GLU ILE PRO ILE 0.421053 0.776316
41 PCA PHE ARG HIS ASP SER 0.420732 0.69863
42 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.420382 0.728571
43 PRO GLN PTR GLU PTR ILE PRO ALA 0.418605 0.779221
44 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.418605 0.898551
45 ALA GLU THR PHE TYR VAL ASP GLY 0.418301 0.681159
46 PRO THR SER TYR ALA GLY ASP ASP SER GLY 0.416667 0.785714
47 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.415205 0.882353
48 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.414894 0.84507
49 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.414013 0.685714
50 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.413408 0.942857
51 VAL TYR ILE HIS PRO PHE 0.4125 0.884058
52 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.410714 0.913043
53 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.410405 0.702703
54 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.409938 0.84058
55 SER HIS PHE ASN GLU TYR GLU 0.409639 0.785714
56 PRO ALA TRP LEU PHE GLU ALA 0.409357 0.742857
57 LEU PRO SER PHE GLU THR ALA LEU 0.408284 0.869565
58 PHE ASN GLU LEU SER HIS LEU 0.408163 0.753623
59 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.407821 0.797297
60 PRO HIS PRO PHE HIS STA VAL ILE HIS LYS 0.405882 0.84058
61 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.405714 0.842857
62 ALA PRO ALA TRP LEU PHE GLU ALA 0.404494 0.802817
63 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.404494 0.805195
64 HIS SER LEU PHE HIS PUK THR PRO 0.404372 0.928571
65 ACE TYR PRO ILE GLN GLU THR 0.403614 0.828571
66 N7P THR SEP PRO SER TYR SET 0.403614 0.769231
67 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.403409 0.716216
68 ASP SEP TYR GLU VAL LEU ASP LEU 0.402367 0.631579
69 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.402235 0.871429
70 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.402174 0.885714
71 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.4 0.705882
72 ALA ARG SER HIS SEP TYR PRO ALA 0.4 0.8
73 ACE PRO LEU HIS SER TPO 0.4 0.794872
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO PRO THR LEU HIS GLU LEU TYR ASP LEU; 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 : 2R7G; Ligand: PRO PRO THR LEU HIS GLU LEU TYR ASP LEU; 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: 2r7g.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2R7G; Ligand: PRO PRO THR LEU HIS GLU LEU TYR ASP LEU; 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: 2r7g.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback