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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 291 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 247 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 209 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: 103
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 ASP ALA ASP GLU TYR LEU 0.571429 0.849057
4 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.571429 0.909091
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 CYS THR GLU LEU LYS LEU SER ASP TYR 0.452555 0.877193
34 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.452555 0.821429
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 THR TYR LYS PHE PHE GLU GLN 0.448 0.824561
41 GLU ASN PRO 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 ASP ALA ASP GLU FTY LEU NH2 0.4375 0.650794
50 ACE 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 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.427632 0.786885
62 ASP GLU THR ASN LEU 0.42735 0.777778
63 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.425676 0.793651
64 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.425532 0.872727
65 SER HIS PHE ASN GLU TYR GLU 0.425532 0.774194
66 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.425 0.698413
67 SER GLN ASN TYR 0.424779 0.818182
68 SER LEU SER GLN SER LEU SER GLN SER 0.423423 0.745455
69 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.420732 0.710145
70 GLU GLU GLN GLU GLU TYR 0.420561 0.754717
71 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.420382 0.728571
72 SER LEU LEU LYS LYS LEU LEU ASP 0.419643 0.724138
73 SER SER ARG LYS GLU TYR TYR ALA 0.418605 0.741935
74 ASP ALA GLU PHE ARG HIS ASP SER 0.41844 0.636364
75 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.417391 0.759259
76 ASP LEU LYS ILE ASP ASN LEU ASP 0.417323 0.767857
77 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.416667 0.754098
78 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.416058 0.688525
79 GLU LEU ASN ARG LYS MET ILE TYR MET 0.415584 0.757576
80 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.415584 0.705882
81 PHE ARG TYR LEU GLY 0.415385 0.786885
82 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.415094 0.720588
83 TYR GLN SER LYS LEU 0.414634 0.842105
84 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.414013 0.735294
85 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.414013 0.73913
86 THR ASN GLU PHE ALA PHE 0.411765 0.754717
87 TYR SER THR CYS TYR PHE ILE MET 0.411765 0.813559
88 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.410596 0.761194
89 THR LYS ASN TYR LYS GLN THR SER VAL 0.410072 0.844828
90 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.409091 0.733333
91 ALA LEU ASP LEU PHE 0.407407 0.698113
92 PHE LEU ALA TYR LYS 0.40625 0.854545
93 PHE LEU SER TYR LYS 0.40625 0.859649
94 TYR LEU PHE VAL GLN ARG ASP SER LYS GLU 0.40566 0.735849
95 THR LYS ASN TYR LYS GLN PHE SER VAL 0.404412 0.894737
96 SER LEU LYS ILE ASP ASN GLU ASP 0.402985 0.758621
97 GLU LEU LYS ARG LYS MET ILE TYR MET 0.402685 0.712121
98 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.402685 0.652174
99 ASP ASP MET GLY PHE GLY LEU PHE ASP 0.401639 0.763636
100 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.401639 0.763636
101 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.401235 0.68
102 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.4 0.741379
103 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.4 0.725806
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: 57
This union binding pocket(no: 1) in the query (biounit: 1gux.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3RV5 DXC 2.24719
2 5M36 9SZ 2.75229
3 5LX9 OLB 4.12844
4 3O01 DXC 4.58716
5 1RL4 BL5 4.60526
6 3G9E RO7 4.60526
7 5B4B LP5 5.04587
8 2C49 ANP 5.26316
9 4QO5 NAG 5.92105
10 1HBK COA 6.74157
11 3PVT 3HC 6.88073
12 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 7.23684
13 3KO0 TFP 7.92079
14 4IA6 EIC 8.25688
15 1PNO NAP 8.55263
16 5CSD ACD 8.55263
17 4DE3 DN8 8.7156
18 4OB6 S2T 9.63303
19 1E4I NFG 9.63303
20 5CX6 CDP 9.86842
21 6H8S FSZ 9.86842
22 5FQK 6NT 10.0917
23 4EKQ NPO 10.1604
24 5LWY OLB 10.2804
25 5C1M 4VO 11.0092
26 3HUJ AGH 11.1111
27 4ARE FLC 11.1842
28 4XCP PLM 11.7647
29 2Z9I GLY ALA THR VAL 11.8421
30 1A8U BEZ 11.8421
31 1NM5 NAP 12.5
32 1NM5 NAD 12.5
33 2OOR TXP 12.5
34 6CS8 F9Y 12.5
35 3B9Z CO2 13.1579
36 2BCG GER 13.1579
37 1JLV GSH 13.1579
38 4RJD TFP 13.6364
39 3TDC 0EU 13.8158
40 4URX FK1 13.8158
41 6BVM EBV 13.8158
42 1OCU PIB 13.8158
43 6BVK EAV 13.8158
44 5KTQ DCP 14.6789
45 6CGN DA 15.1316
46 1A8S PPI 15.1376
47 3MPI GRA 16.8766
48 1ZEI CRS 16.9811
49 1D4O NAP 18.4211
50 1DJL NAP 18.4211
51 2GWH PCI 20.6422
52 1T0S BML 20.9302
53 5OSW DIU 23.0263
54 5NNT DPV 24.3243
55 2Y69 CHD 29.7297
56 5Z84 CHD 30.137
57 5ZCO CHD 30.137
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