Receptor
PDB id Resolution Class Description Source Keywords
1GUX 1.85 Å NON-ENZYME: TRANSCRIPT_TRANSLATE RB POCKET BOUND TO E7 LXCXE MOTIF HOMO SAPIENS COMPLEX (TRANSCRIPTION REGULATION/PEPTIDE) TUMOR SUPPRESSOR PROTEIN RETINOBLASTOMA COMPLEX (TRANSCRIPTION REG/PEPTIDE) COMPLEX
Ref.: STRUCTURE OF THE RETINOBLASTOMA TUMOUR-SUPPRESSOR POCKET DOMAIN BOUND TO A PEPTIDE FROM HPV E7. NATURE V. 391 859 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP LEU TYR CYS TYR GLU GLN LEU ASN E:1;
Valid;
none;
Kd = 110 nM
1143.26 n/a SCC(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GUX 1.85 Å NON-ENZYME: TRANSCRIPT_TRANSLATE RB POCKET BOUND TO E7 LXCXE MOTIF HOMO SAPIENS COMPLEX (TRANSCRIPTION REGULATION/PEPTIDE) TUMOR SUPPRESSOR PROTEIN RETINOBLASTOMA COMPLEX (TRANSCRIPTION REG/PEPTIDE) COMPLEX
Ref.: STRUCTURE OF THE RETINOBLASTOMA TUMOUR-SUPPRESSOR POCKET DOMAIN BOUND TO A PEPTIDE FROM HPV E7. NATURE V. 391 859 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 309 families.
1 1GUX Kd = 110 nM ASP LEU TYR CYS TYR GLU GLN LEU ASN 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 263 families.
1 1GUX Kd = 110 nM ASP LEU TYR CYS TYR GLU GLN LEU ASN 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 221 families.
1 1GUX Kd = 110 nM ASP LEU TYR CYS TYR GLU GLN LEU ASN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP LEU TYR CYS TYR GLU GLN LEU ASN; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP LEU TYR CYS TYR GLU GLN LEU ASN 1 1
2 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.575 0.907407
3 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.571429 0.909091
4 ASP ALA ASP GLU TYR LEU 0.571429 0.849057
5 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.570248 0.833333
6 SER ASP TYR GLN ARG LEU 0.555556 0.783333
7 ASP SEP TYR GLU VAL LEU ASP LEU 0.545455 0.730159
8 GLU ASN LEU TYR PHE GLN 0.542373 0.924528
9 ASP PHE GLU ASP TYR GLU PHE ASP 0.539823 0.818182
10 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.526718 0.888889
11 THR ASN GLU TYR TYR VAL 0.522936 0.886792
12 ASP ASP LEU TYR GLY 0.522936 0.836364
13 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.507353 0.912281
14 GLU ASN GLN LYS GLU TYR PHE PHE 0.504132 0.839286
15 THR ASN GLU PHE TYR PHE 0.5 0.830189
16 SER GLN TYR TYR TYR ASN SER LEU 0.5 0.927273
17 THR ASN GLU TYR LYS VAL 0.495798 0.872727
18 SER LEU ARG PHE LEU TYR GLU GLY 0.492424 0.793651
19 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.488722 0.910714
20 ASP GLU LEU GLU ILE LYS ALA TYR 0.484848 0.824561
21 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.484375 0.827586
22 THR ASN GLU PHE TYR ALA 0.483333 0.87037
23 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.481752 0.927273
24 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.476821 0.720588
25 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.469799 0.83871
26 GLU VAL TYR GLU SER 0.465517 0.8
27 GLU LEU ASP LYS TYR ALA SER 0.465116 0.842105
28 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.464286 0.806452
29 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.461538 0.651515
30 LEU GLU PHE GLN GLY 0.461538 0.745455
31 ASP PHE GLU GLU ILE 0.460177 0.722222
32 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.457746 0.786885
33 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.452555 0.821429
34 CYS THR GLU LEU LYS LEU SER ASP TYR 0.452555 0.877193
35 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.451389 0.786885
36 ARG GLY TYR LEU TYR GLN GLY LEU 0.451128 0.786885
37 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.45082 0.849057
38 PRO GLU SEP LEU GLU SER CYS PHE 0.449612 0.714286
39 GLU LEU ARG ARG LYS MET MET TYR MET 0.448529 0.738462
40 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.448 0.824561
41 THR TYR LYS PHE PHE GLU GLN 0.448 0.824561
42 ASN LEU LEU GLN LYS LYS 0.447368 0.696429
43 ACE ILE TYR GLU SER LEU 0.446281 0.821429
44 LEU ASP GLU PTR VAL ALA THR ARG 0.445378 0.704918
45 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.442953 0.819672
46 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.441558 0.753846
47 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.439189 0.765625
48 TYR ASP GLN ILE LEU 0.438017 0.814815
49 ACE ASP ALA ASP GLU FTY LEU NH2 0.4375 0.650794
50 ASP ALA ASP GLU FTY LEU NH2 0.4375 0.650794
51 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.43662 0.774194
52 GLU GLN TYR LYS PHE TYR SER VAL 0.43609 0.844828
53 SEP GLN GLU TYR NH2 0.435897 0.68254
54 TYR ALA GLY SEP TPO ASP GLU ASN 0.434483 0.712121
55 ASP ALA GLU PHE ARG HIS ASP 0.434109 0.666667
56 GLY GLY LYS LYS LYS TYR GLN LEU 0.433071 0.807018
57 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.432099 0.671053
58 ASP PHE M3L THR ASP 0.432 0.707692
59 ALA ARG THR GLU LEU TYR ARG SER LEU 0.431655 0.777778
60 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.431507 0.758065
61 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.429577 0.847458
62 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.427632 0.786885
63 ASP GLU THR ASN LEU 0.42735 0.777778
64 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.425676 0.793651
65 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.425532 0.872727
66 SER HIS PHE ASN GLU TYR GLU 0.425532 0.774194
67 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.425 0.698413
68 SER GLN ASN TYR 0.424779 0.818182
69 SER LEU SER GLN SER LEU SER GLN SER 0.423423 0.745455
70 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.420732 0.710145
71 GLU GLU GLN GLU GLU TYR 0.420561 0.754717
72 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.420382 0.728571
73 SER LEU LEU LYS LYS LEU LEU ASP 0.419643 0.724138
74 SER SER ARG LYS GLU TYR TYR ALA 0.418605 0.741935
75 ASP ALA GLU PHE ARG HIS ASP SER 0.41844 0.636364
76 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.417391 0.759259
77 ASP LEU LYS ILE ASP ASN LEU ASP 0.417323 0.767857
78 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.416667 0.754098
79 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.416058 0.688525
80 GLU LEU ASN ARG LYS MET ILE TYR MET 0.415584 0.757576
81 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.415584 0.705882
82 PHE ARG TYR LEU GLY 0.415385 0.786885
83 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.415094 0.720588
84 TYR GLN SER LYS LEU 0.414634 0.842105
85 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.414013 0.73913
86 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.414013 0.735294
87 THR ASN GLU PHE ALA PHE 0.411765 0.754717
88 TYR SER THR CYS TYR PHE ILE MET 0.411765 0.813559
89 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.410596 0.761194
90 THR LYS ASN TYR LYS GLN THR SER VAL 0.410072 0.844828
91 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.409091 0.733333
92 ALA LEU ASP LEU PHE 0.407407 0.698113
93 PHE LEU ALA TYR LYS 0.40625 0.854545
94 PHE LEU SER TYR LYS 0.40625 0.859649
95 TYR LEU PHE VAL GLN ARG ASP SER LYS GLU 0.40566 0.735849
96 THR LYS ASN TYR LYS GLN PHE SER VAL 0.404412 0.894737
97 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.404412 0.872727
98 SER LEU LYS ILE ASP ASN GLU ASP 0.402985 0.758621
99 GLU LEU LYS ARG LYS MET ILE TYR MET 0.402685 0.712121
100 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.402685 0.652174
101 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.401639 0.763636
102 ASP ASP MET GLY PHE GLY LEU PHE ASP 0.401639 0.763636
103 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.401235 0.68
104 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.4 0.725806
105 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.4 0.741379
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GUX; Ligand: ASP LEU TYR CYS TYR GLU GLN LEU ASN; 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: 1gux.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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