Receptor
PDB id Resolution Class Description Source Keywords
2I0L 2.31 Å NON-ENZYME: OTHER X-RAY CRYSTAL STRUCTURE OF SAP97 PDZ2 BOUND TO THE C- TERMINAL PEPTIDE OF HPV18 E6. RATTUS NORVEGICUS SAP97 PDZ2 HPV18 E6 TUMOR SUPPRESSOR CARCINOMA PEPTIDE BINDING PROTEIN
Ref.: STRUCTURES OF A HUMAN PAPILLOMAVIRUS (HPV) E6 POLYPEPTIDE BOUND TO MAGUK PROTEINS: MECHANISMS OF TARGETING TUMOR SUPPRESSORS BY A HIGH-RISK HPV ONCOPROTEIN. J.VIROL. V. 81 3618 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG ARG ARG GLU THR GLN VAL C:2001;
D:2002;
 Valid;
Valid;
 none;
none;
 submit data
859.964 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2I0L 2.31 Å NON-ENZYME: OTHER X-RAY CRYSTAL STRUCTURE OF SAP97 PDZ2 BOUND TO THE C- TERMINAL PEPTIDE OF HPV18 E6. RATTUS NORVEGICUS SAP97 PDZ2 HPV18 E6 TUMOR SUPPRESSOR CARCINOMA PEPTIDE BINDING PROTEIN
Ref.: STRUCTURES OF A HUMAN PAPILLOMAVIRUS (HPV) E6 POLYPEPTIDE BOUND TO MAGUK PROTEINS: MECHANISMS OF TARGETING TUMOR SUPPRESSORS BY A HIGH-RISK HPV ONCOPROTEIN. J.VIROL. V. 81 3618 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 2I0L - ARG ARG ARG GLU THR GLN VAL n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2AWX - HIS HIS n/a n/a
2 2AWU - ALA HIS HIS n/a n/a
3 2I0L - ARG ARG ARG GLU THR GLN VAL n/a n/a
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6MS1 Kd = 5970 nM GLY SER TYR LEU VAL THR SER VAL n/a n/a
2 3DIW Kd = 0.19 uM ASN GLN LEU ALA TRP PHE ASP THR ASP LEU n/a n/a
3 2AWX - HIS HIS n/a n/a
4 2AWU - ALA HIS HIS n/a n/a
5 6Q0U - TYR TYR GLU SER GLY TRP LEU n/a n/a
6 1MFL Kd ~ 128 uM GLU PTR LEU GLY LEU ASP VAL PRO VAL n/a n/a
7 6Q0M - TYR TYR GLU SER ASP TRP LEU n/a n/a
8 6Q0N - THR GLY TYR GLU THR TRP VAL n/a n/a
9 1MFG Kd ~ 50 uM GLU TYR LEU GLY LEU ASP VAL PRO VAL n/a n/a
10 5WOU Kd = 664 nM LEU PRO SER PHE GLU THR ALA LEU n/a n/a
11 6MTU Kd = 6083 nM PRO HIS THR ASN GLU THR SEP LEU n/a n/a
12 5VWK - PRO ALA TRP ASP GLU THR ASN LEU n/a n/a
13 5VWI - PRO ALA TRP ASP GLU THR ASN LEU n/a n/a
14 2I0L - ARG ARG ARG GLU THR GLN VAL n/a n/a
15 1N7F - ALA THR VAL ARG THR TYR SER CYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ARG ARG ARG GLU THR GLN VAL; Similar ligands found: 133
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG ARG ARG GLU THR GLN VAL 1 1
2 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.8 0.980769
3 THR ARG ARG GLU THR GLN LEU 0.722222 0.980769
4 ALA ARG THR MLY GLN 0.663043 0.833333
5 ALA ARG THR M3L GLN THR ALA ARG 0.653061 0.822581
6 ALA ARG THR ALY GLN THR ALA 0.642105 0.907407
7 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.642105 0.806452
8 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.635417 0.806452
9 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.628866 0.833333
10 ACE GLU ALA GLN THR ARG LEU 0.626263 0.924528
11 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.622449 0.842105
12 ALA ARG THR MLY GLN THR ALA ARG LYS 0.622449 0.816667
13 LYS GLN THR SER VAL 0.621951 0.807692
14 GLU ALA GLN THR ARG LEU 0.62 0.942308
15 ALA ARG 9AT 0.602564 0.901961
16 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.598131 0.822581
17 ALA ARG THR LYS GLN THR ALA ARG LYS 0.598039 0.942308
18 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.597826 0.903846
19 ILE GLN GLN SER ILE GLU ARG ILE 0.584158 0.888889
20 SAC ARG GLY THR GLN THR GLU 0.582524 0.907407
21 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.575472 0.859649
22 ALA ARG THR LYS GLN THR ALA ARG 0.572917 0.923077
23 ALA ARG THR GLU LEU TYR ARG SER LEU 0.556522 0.864407
24 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.555556 0.816667
25 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.551724 0.822581
26 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.537736 0.924528
27 LYS ARG ARG LYS SEP VAL 0.530612 0.783333
28 ASN ASN LEU GLN ASP GLY THR GLU VAL 0.53012 0.823529
29 ACE ALA ARG THR GLU VAL TYR NH2 0.522523 0.859649
30 ARG GLU ARG SER PRO THR ARG 0.519608 0.707692
31 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.516393 0.796875
32 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.514019 0.867925
33 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.510417 0.921569
34 THR ILE MET MET GLN ARG GLY 0.509434 0.844828
35 ALA 2MR THR MLY GLN THR ALA ALA 0.508929 0.85
36 GLU THR VAL ARG PHE GLN SER ASP 0.508333 0.890909
37 ALA ARG THR M3L GLN THR ALA ARG LYS 0.504854 0.790323
38 GLN ARG SER THR SEP THR 0.5 0.830508
39 HIS MET THR GLU VAL VAL ARG ARG CYS 0.5 0.784615
40 ARG GLU ASP GLN GLU THR ALA VAL 0.49505 0.803922
41 ALA GLU THR PHE 0.494624 0.703704
42 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.487805 0.757576
43 ARG ARG GLU VAL HIS THR TYR TYR 0.484375 0.784615
44 ALA ARG THR MLY GLN THR ALA ARG TYR 0.483333 0.772727
45 ALA ASN SER ARG VAL GLN ASP SER ILE ILE 0.482456 0.875
46 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.477273 0.823529
47 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.474138 0.785714
48 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.472868 0.806452
49 ALA ALA LEU THR ARG ALA 0.470588 0.903846
50 ACE GLN GLU ARG GLU VAL PRO CYS 0.470085 0.681818
51 GLU ARG GLY MET THR 0.466667 0.807018
52 HIS MET THR GLU VAL VAL ARG HIS CYS 0.465649 0.772727
53 PRO SER ARG VAL 0.464646 0.79661
54 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.463636 0.827586
55 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.463235 0.784615
56 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.463235 0.742424
57 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.463235 0.784615
58 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.461538 0.867925
59 ASN ARG LEU LEU LEU THR GLY 0.460784 0.943396
60 VAL THR THR ASP ILE GLN VAL LYS VAL 0.459459 0.814815
61 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.455285 0.793651
62 ALA ARG LYS LEU ASP 0.454545 0.867925
63 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.453846 0.783333
64 ACE GLN THR ALA ARG PRK SER THR 0.452174 0.857143
65 ALA SER ASN GLU ASN MET GLU THR MET 0.451923 0.711864
66 ALA ARG TPO LYS 0.45098 0.79661
67 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.449541 0.846154
68 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.449275 0.784615
69 ALA GLN THR ALA ARG ALY SER THR 0.448276 0.890909
70 ARG GLU ALA ALA 0.446809 0.843137
71 GLN ILE LYS VAL ARG VAL ASP MET VAL 0.446281 0.793103
72 ALA GLN PHE SER ALA SER ALA SER ARG 0.442478 0.872727
73 ALA ARG M3L SER 0.438776 0.730159
74 ALA MET ARG VAL 0.4375 0.732143
75 ACE GLN THR ALA ARG KCR SER THR 0.436975 0.872727
76 ALA SER ASN GLU ASP MET GLU THR MET 0.435185 0.711864
77 ACE GLN THR ALA ARG BTK SER THR 0.434783 0.857143
78 ALA ARG M3L SER THR GLY GLY ALY 0.434426 0.796875
79 LYS LEU VAL GLN LEU LEU THR THR THR 0.433962 0.830189
80 ALA ILE GLU THR ASA 0.43299 0.735849
81 SER ASP TYR GLN ARG LEU 0.432432 0.810345
82 ASN ARG LEU MET LEU THR GLY 0.432432 0.877193
83 GLN ARG ALA THR LYS MET NH2 0.431034 0.842105
84 GLN THR ALA ARG M3L SER 0.431034 0.793651
85 MET ABA LEU ARG MET THR ALA VAL MET 0.429752 0.859649
86 ALA ILE ARG SER 0.428571 0.796296
87 ARG ARG ARG VAL ARG 00S 0.428571 0.767857
88 ALA SER ASN GLU ASN ILE GLU THR MET 0.428571 0.7
89 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.426357 0.844828
90 PHE GLU ASP LEU ARG VAL SER SER PHE 0.426357 0.844828
91 ACE LYS ARG ARG LYS SEP VAL 0.425926 0.783333
92 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.425373 0.790323
93 SER GLU LEU GLU ILE LYS ARG TYR 0.425197 0.819672
94 ACE ILE GLU SER THR GLU ILE 0.424242 0.759259
95 ALA SER ASN GLU ASN ALA GLU THR MET 0.423423 0.711864
96 VAL ALA ARG SER 0.421053 0.865385
97 SER GLU ILE GLU PHE ALA ARG LEU 0.420635 0.842105
98 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.420635 0.816667
99 ALA THR ARG ASN PHE SER GLY 0.420168 0.842105
100 ALA ARG MLY SER THR GLY GLY ALY 0.419355 0.822581
101 MET CYS LEU ARG MET THR ALA VAL MET 0.419355 0.892857
102 ALA ARG MLZ SER THR GLY GLY ALY 0.419355 0.847458
103 ALA GLU ASP ASP VAL GLU 0.419355 0.711538
104 ACE ALA ARG THR LYS GLN 0.419048 0.903846
105 GLN THR ALA ARG M3L SER THR GLY 0.418033 0.793651
106 PRO THR GLU PUK ARG GLU 0.41791 0.774194
107 SER SER ARG LYS GLU TYR TYR ALA 0.417391 0.766667
108 LYS PRO VAL LEU ARG THR ALA 0.417323 0.753846
109 LEU GLU LYS ALA ARG GLY SER THR TYR 0.417266 0.836066
110 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.415385 0.830508
111 ARG ILE MET GLU NH2 0.415094 0.754386
112 THR ASN GLU TYR LYS VAL 0.414414 0.711864
113 PRO THR SER SER GLU GLN ILE 0.414414 0.704918
114 2NC 0.413793 0.857143
115 ALA ARG LYS ILE ASP ASN LEU ASP 0.413223 0.857143
116 ACE PRO VAL GLN GLU THR NH2 0.412844 0.636364
117 ARG ARG ALA THR LYS MET NH2 0.412281 0.842105
118 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.412214 0.79661
119 ARG VAL 0.409639 0.823529
120 ACE VAL LYS GLU SER LEU VAL 0.409524 0.777778
121 MET CYS LEU ARG NLE THR ALA VAL MET 0.409449 0.877193
122 GLU LEU LYS TPO GLU ARG TYR 0.409091 0.757576
123 THR LYS ASN TYR LYS GLN THR SER VAL 0.404762 0.75
124 ARG ARG ALA ALA 0.404255 0.843137
125 ALA ARG MLZ SER ALA PRO ALA THR 0.403101 0.7
126 ARG GLN ALA SEP LEU SER ILE SER VAL 0.403101 0.803279
127 ALA MET ALA PRO ARG THR LEU LEU LEU 0.403101 0.7
128 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.402778 0.73913
129 LEU PRO PHE GLU ARG ALA THR VAL MET 0.402685 0.704225
130 ALA GLU THR PHE TYR VAL ASP GLY 0.401709 0.677966
131 ALA ARG LYS SEP THR GLY GLY LYS 0.4 0.803279
132 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.4 0.746269
133 SER SER ILE GLU PHE ALA ARG LEU 0.4 0.859649
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG ARG ARG GLU THR GLN VAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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