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 257 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 222 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 185 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: 115
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP LEU TYR CYS TYR GLU GLN LEU ASN 1 1
2 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.592593 0.830189
3 ASP PHE GLU ASP TYR GLU PHE ASP 0.587156 0.811321
4 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.568 0.890909
5 ASP ALA ASP GLU TYR LEU 0.567568 0.830189
6 SER ASP TYR GLN ARG LEU 0.547826 0.783333
7 GLU ASN LEU TYR PHE GLN 0.543103 0.924528
8 ASP SEP TYR GLU VAL LEU ASP LEU 0.541985 0.714286
9 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.528 0.907407
10 THR ASN GLU TYR TYR VAL 0.527778 0.867925
11 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.527132 0.888889
12 GLU ASN GLN LYS GLU TYR PHE PHE 0.525424 0.803571
13 ASP ASP LEU TYR GLY 0.513761 0.818182
14 SER GLN TYR TYR TYR ASN SER LEU 0.508621 0.927273
15 THR ASN GLU TYR LYS VAL 0.508621 0.836364
16 THR ASN GLU PHE TYR PHE 0.504505 0.811321
17 THR ASN LEU TYR MET LEU 0.5 0.842105
18 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.49635 0.912281
19 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.496183 0.910714
20 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.496 0.810345
21 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.485294 0.927273
22 ASP GLU LEU GLU ILE LYS ALA TYR 0.484615 0.789474
23 THR ASN GLU PHE TYR ALA 0.483333 0.87037
24 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.479452 0.83871
25 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.474453 0.806452
26 GLU VAL TYR GLU SER 0.469565 0.781818
27 GLU LEU ASP LYS TYR ALA SER 0.468254 0.824561
28 LEU GLU PHE GLN GLY 0.465517 0.745455
29 ARG GLY TYR LEU TYR GLN GLY LEU 0.465116 0.786885
30 ALA GLU THR PHE TYR VAL ASP GLY 0.464 0.851852
31 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.463576 0.705882
32 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.460432 0.786885
33 CYS THR GLU LEU LYS LEU SER ASP TYR 0.459259 0.859649
34 ASP ALA ASP GLU FTY LEU NH2 0.457627 0.619048
35 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.457143 0.786885
36 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.455285 0.807018
37 THR TYR LYS PHE PHE GLU GLN 0.455285 0.807018
38 PRO GLU SEP LEU GLU SER CYS PHE 0.453125 0.698413
39 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.451327 0.830189
40 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.450704 0.758065
41 ASN LEU LEU GLN LYS LYS 0.45045 0.660714
42 GLU LEU ARG ARG LYS MET MET TYR MET 0.450382 0.738462
43 LEU ASP GLU PTR VAL ALA THR ARG 0.449153 0.688525
44 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.448276 0.735849
45 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.448276 0.765625
46 ASP PHE GLU GLU ILE 0.447368 0.703704
47 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.446809 0.847458
48 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.446667 0.786885
49 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.446154 0.636364
50 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.446043 0.774194
51 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.444444 0.753846
52 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.443609 0.688525
53 GLY GLY LYS LYS LYS TYR GLN LEU 0.443548 0.807018
54 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.442177 0.819672
55 GLU GLN TYR LYS PHE TYR SER VAL 0.44186 0.844828
56 ACE ILE TYR GLU SER LEU 0.441667 0.821429
57 ALA ARG THR GLU LEU TYR ARG SER LEU 0.441176 0.777778
58 SEP GLN GLU TYR NH2 0.439655 0.68254
59 SER SER ARG LYS GLU TYR TYR ALA 0.439024 0.741935
60 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.4375 0.710145
61 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.434783 0.657895
62 ACE ASP ALA ASP GLU FTY LEU NH2 0.434109 0.634921
63 TYR ALA GLY SEP TPO ASP GLU ASN 0.431507 0.712121
64 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.431373 0.724638
65 SER LEU LEU LYS LYS LEU LEU ASP 0.431193 0.706897
66 TYR ASP GLN ILE LEU 0.430894 0.814815
67 SER HIS PHE ASN GLU TYR GLU 0.428571 0.774194
68 SER GLN ASN TYR 0.428571 0.818182
69 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.428571 0.872727
70 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.428571 0.698413
71 ASP ALA GLU PHE ARG HIS ASP SER 0.427536 0.636364
72 ALA TRP LEU PHE GLU ALA 0.427481 0.677966
73 SER LEU SER GLN SER LEU SER GLN SER 0.427273 0.745455
74 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.425532 0.754098
75 THR LYS ASN TYR LYS GLN THR SER VAL 0.425373 0.844828
76 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.424051 0.68
77 ASP LEU LYS ILE ASP ASN LEU ASP 0.424 0.75
78 ASP PHE M3L THR ASP 0.424 0.692308
79 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.422819 0.761194
80 ALA ALA TRP LEU PHE GLU ALA 0.419118 0.677966
81 GLU GLU GLN GLU GLU TYR 0.419048 0.735849
82 PHE ARG TYR LEU GLY 0.418605 0.786885
83 TYR GLN SER LYS LEU 0.418033 0.842105
84 THR LYS ASN TYR LYS GLN PHE SER VAL 0.416667 0.894737
85 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.416058 0.803571
86 PHE LEU ALA TYR LYS 0.416 0.818182
87 PHE LEU SER TYR LYS 0.416 0.842105
88 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.415584 0.761905
89 THR ASN GLU PHE ALA PHE 0.415254 0.735849
90 SER ILE ILE ASN PHE GLU LYS LEU 0.414815 0.793103
91 GLY ASN PHE LEU GLN SER ARG 0.414815 0.730159
92 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.413793 0.637681
93 SER LEU TYR ASN THR ILE ALA THR LEU 0.413534 0.857143
94 GLU LEU ASN ARG LYS MET ILE TYR MET 0.413333 0.757576
95 GLU THR VAL ARG PHE GLN SER ASP 0.412587 0.725806
96 TYR SER THR CYS TYR PHE ILE MET 0.411765 0.79661
97 ALA LEU ASP LEU PHE 0.411215 0.679245
98 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.409449 0.833333
99 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.409396 0.731343
100 SER LEU LYS ILE ASP ASN GLU ASP 0.409091 0.758621
101 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.408805 0.720588
102 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.407692 0.733333
103 SER GLU LEU GLU ILE LYS ARG TYR 0.407143 0.738462
104 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.406897 0.710145
105 SER LEU TYR ASN THR VAL ALA THR LEU 0.406015 0.854545
106 TYR LEU PHE VAL GLN ARG ASP SER LYS GLU 0.40566 0.716981
107 LEU ALA SER LEU GLU SER GLN SER 0.405172 0.763636
108 GLU ILE ILE ASN PHE GLU LYS LEU 0.404412 0.754386
109 SER LEU TYR ASN VAL VAL ALA THR LEU 0.402985 0.854545
110 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.402878 0.890909
111 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.402439 0.7
112 GLU LEU LYS TPO GLU ARG TYR 0.401408 0.685714
113 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.401274 0.735294
114 GLU LEU LYS ARG LYS MET ILE TYR MET 0.4 0.712121
115 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.4 0.691176
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: 17
This union binding pocket(no: 1) in the query (biounit: 1gux.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1RL4 BL5 0.004703 0.41974 4.60526
2 3G9E RO7 0.01571 0.40974 4.60526
3 5B4B LP5 0.01614 0.40441 5.04587
4 1PNO NAP 0.004154 0.43354 8.55263
5 5CSD ACD 0.01921 0.40768 8.55263
6 4N70 2HX 0.03085 0.4066 9.21053
7 1E4I NFG 0.02705 0.41723 9.63303
8 5C1M 4VO 0.002883 0.40808 11.0092
9 2Z9I GLY ALA THR VAL 0.002938 0.44159 11.8421
10 1A8U BEZ 0.01053 0.41753 11.8421
11 1NM5 NAD 0.007195 0.44298 12.5
12 1NM5 NAP 0.006943 0.44298 12.5
13 3B9Z CO2 0.001667 0.47386 13.1579
14 3TDC 0EU 0.01519 0.42226 13.8158
15 1OCU PIB 0.02357 0.40786 13.8158
16 1A8S PPI 0.004961 0.4302 15.1376
17 1T0S BML 0.01377 0.41292 20.9302
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