Receptor
PDB id Resolution Class Description Source Keywords
3ERY 1.95 Å NON-ENZYME: IMMUNE DIFFERENT THERMODYNAMIC BINDING MECHANISMS AND PEPTIDE FINE SPECIFICITIES ASSOCIATED WITH A PANEL OF STRUCTURALLY S IMILAR HIGH-AFFINITY T CELL RECEPTORS HOMO SAPIENS IMMUNE SYSTEM MHC PEPTIDE RECOGNITION
Ref.: DIFFERENT THERMODYNAMIC BINDING MECHANISMS AND PEPTIDE FINE SPECIFICITIES ASSOCIATED WITH A PANEL OF STRUCTURALLY SIMILAR HIGH-AFFINITY T CELL RECEPTORS BIOCHEMISTRY V. 47 12398 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLN LEU SER PRO PHE PRO PHE ASP LEU P:1;
Q:1;
Valid;
Valid;
none;
none;
submit data
1047.22 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ERY 1.95 Å NON-ENZYME: IMMUNE DIFFERENT THERMODYNAMIC BINDING MECHANISMS AND PEPTIDE FINE SPECIFICITIES ASSOCIATED WITH A PANEL OF STRUCTURALLY S IMILAR HIGH-AFFINITY T CELL RECEPTORS HOMO SAPIENS IMMUNE SYSTEM MHC PEPTIDE RECOGNITION
Ref.: DIFFERENT THERMODYNAMIC BINDING MECHANISMS AND PEPTIDE FINE SPECIFICITIES ASSOCIATED WITH A PANEL OF STRUCTURALLY SIMILAR HIGH-AFFINITY T CELL RECEPTORS BIOCHEMISTRY V. 47 12398 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 3ERY - GLN LEU SER PRO PHE PRO PHE 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 67 families.
1 3ERY - GLN LEU SER PRO PHE PRO PHE ASP LEU 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 45 families.
1 3ERY - GLN LEU SER PRO PHE PRO PHE ASP LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLN LEU SER PRO PHE PRO PHE ASP LEU; Similar ligands found: 137
No: Ligand ECFP6 Tc MDL keys Tc
1 GLN LEU SER PRO PHE PRO PHE ASP LEU 1 1
2 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.620438 0.9375
3 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.557143 0.984375
4 GLU PHE SER PRO 0.545455 0.857143
5 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.544218 0.880597
6 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.541667 0.882353
7 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.527027 0.897059
8 LEU ASN PHE PRO ILE SER PRO 0.525547 0.924242
9 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.521472 0.830986
10 ILE THR ASP GLN VAL PRO PHE SER VAL 0.509804 0.893939
11 TYR ASP LEU SEP LEU PRO PHE PRO 0.509677 0.849315
12 ILE MET ASP GLN VAL PRO PHE SER VAL 0.50641 0.855072
13 ASP LEU PRO PHE 0.503876 0.857143
14 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.503106 0.924242
15 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.49359 0.821918
16 GLY SER ASP PRO PHE LYS 0.489051 0.875
17 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.487654 0.819444
18 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 0.484076 0.850746
19 ALA THR PRO PHE GLN GLU 0.482269 0.84375
20 LEU PRO PHE ASP LYS SER THR ILE MET 0.481707 0.857143
21 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.481481 0.895522
22 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.480519 0.878788
23 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.480519 0.878788
24 LEU SER SER PRO VAL THR LYS SER PHE 0.480263 0.892308
25 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.478528 0.895522
26 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.477419 0.707317
27 GLN ASN TYR PRO ILE VAL GLN 0.47619 0.811594
28 PHE ASN PHE PRO GLN ILE THR 0.47619 0.865672
29 PHE SER HIS PRO GLN ASN THR 0.474026 0.867647
30 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.473373 0.826667
31 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.473054 0.772152
32 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.468354 0.855072
33 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.467532 0.863636
34 LEU PRO PHE ASP LYS THR THR ILE MET 0.465839 0.842857
35 SER PRO ILE VAL PRO SER PHE ASP MET 0.464968 0.884058
36 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.464789 0.820895
37 PHE SER ALA PTR PRO SER GLU GLU ASP 0.463087 0.77027
38 SER THR SEP PRO THR PHE ASN LYS 0.462963 0.780822
39 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.461988 0.719512
40 ARG SEP PRO VAL PHE SER 0.461538 0.746667
41 LEU PRO SER PHE GLU THR ALA LEU 0.460526 0.907692
42 ARG THR PHE SER PRO THR TYR GLY LEU 0.460123 0.849315
43 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.459459 0.723077
44 THR THR ALA PRO PHE LEU SER GLY LYS 0.459119 0.909091
45 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.459119 0.859375
46 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.458065 0.863636
47 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.45283 0.830986
48 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.452703 0.888889
49 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.450292 0.847222
50 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.45 0.852941
51 PHE PRO THR LYS ASP VAL ALA LEU 0.449367 0.907692
52 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.446541 0.893939
53 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.446429 0.911765
54 ASN ASP TRP LEU LEU PRO SER TYR 0.446429 0.9
55 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.44586 0.835821
56 LEU PRO PHE ASP ARG THR THR ILE MET 0.443114 0.776316
57 TYR PRO PHE PHE NH2 0.442748 0.772727
58 SER SER PHE TYR PRO SEP ALA GLU GLY 0.442308 0.794521
59 LEU PHE GLY TYR PRO VAL TYR VAL 0.441558 0.878788
60 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.441341 0.814286
61 THR PRO PRO SER PRO PHE 0.440298 0.890625
62 BOC HIS PRO PHE HIS STA LEU PHE 0.440252 0.808219
63 SER HIS SEP SER PRO ALA SER LEU GLN 0.439759 0.797297
64 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.439759 0.884058
65 THR PRO TYR ASP ILE ASN GLN MET LEU 0.439024 0.794521
66 GLY ASP CYS PHE SER LYS PRO ARG 0.438272 0.788732
67 SER PRO LEU ASP SER LEU TRP TRP ILE 0.4375 0.940298
68 PHE CYS HIS PRO GLN ASN THR NH2 0.436709 0.826087
69 SER HIS SEP SER PRO ALA SER LEU 0.436709 0.783784
70 SER MET PRO GLU LEU SER PRO VAL LEU 0.434483 0.867647
71 GLN MET PRO THR GLU ASP GLU TYR 0.433962 0.816901
72 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.433735 0.913043
73 ILE SER PRO ARG THR LEU ASP ALA TRP 0.433333 0.837838
74 PHE ALA PRO GLY ASN TYI PRO ALA LEU 0.432927 0.824324
75 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.432432 0.893939
76 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.432099 0.884058
77 GLU ASN LEU TYR PHE GLN 0.431655 0.647059
78 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.42953 0.890625
79 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.428571 0.880597
80 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.428571 0.867647
81 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.428571 0.69697
82 LEU PRO PHE GLU LYS SER THR VAL MET 0.427711 0.869565
83 ASP PHE ALA ASN THR PHE LEU PRO 0.427632 0.909091
84 MET PHE SER ILE ASP ASN ILE LEU ALA 0.427632 0.657143
85 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.426901 0.813333
86 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.426829 0.882353
87 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.426752 0.8
88 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.426136 0.75641
89 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.426035 0.884058
90 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.423841 0.938462
91 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.422619 0.892308
92 ARG SER ALA SEP GLU PRO SER LEU 0.42236 0.763158
93 LYS PRO PHE PTR VAL ASN VAL NH2 0.42236 0.773333
94 PRO ALA PRO PHE ALA SER ALA 0.421769 0.861538
95 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.41954 0.802817
96 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.419355 0.8
97 ALA CYS SEP PRO GLN PHE GLY 0.419355 0.75
98 GLN ILE MET TYR ASN TYR PRO ALA MET 0.418182 0.794521
99 ALA PRO ALA TRP LEU PHE GLU ALA 0.418182 0.863636
100 SIN ALA LEU PRO PHE NIT 0.417219 0.746667
101 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.417143 0.819444
102 PIV HIS PRO PHE HIS LPL TYR TYR SER 0.416185 0.805556
103 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.416149 0.739726
104 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.416149 0.880597
105 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.415663 0.880597
106 ACE GLY LYS SER PHE SER LYS PRO ARG 0.415584 0.878788
107 THR PRO GLN ASP LEU ASN THR MET LEU 0.415584 0.8
108 SER SER CYS PRO LEU SER LYS 0.415493 0.861538
109 TRP ASP ILE PRO PHE 0.414815 0.828125
110 1IP CYS PHE SER LYS PRO ARG 0.414634 0.780822
111 TYR LEU ASP SER GLY ILE HIS SER GLY ALA 0.414062 0.651515
112 ARG VAL SER PRO SER THR SER TYR THR PRO 0.413793 0.835821
113 SER LEU PHE ASN THR ILE ALA VAL LEU 0.411765 0.641791
114 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.411765 0.731707
115 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.411392 0.855072
116 ACE PHE HIS PRO ALA NH2 0.411348 0.761194
117 ALA PHE ARG ILE PRO LEU THR ARG 0.411043 0.805556
118 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.411043 0.850746
119 ARG PHE PRO LEU THR PHE GLY TRP 0.410112 0.835616
120 PHE ASN ARG PRO VAL 0.409396 0.760563
121 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.409357 0.797297
122 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.409357 0.821918
123 MET GLN SER TPO PRO LEU 0.409091 0.736842
124 GLY THR SER SER PRO SER ALA ASP 0.407143 0.830769
125 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.40625 0.78125
126 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.405882 0.816901
127 DHI PRO PHE HIS LEU LEU VAL TYR 0.405882 0.826087
128 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.405405 0.765625
129 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.405063 0.739726
130 GLU LYS PRO SER SER SER 0.404412 0.84375
131 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.404145 0.802632
132 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.40411 0.80303
133 PRO ALA PRO PHE ALA ALA ALA 0.402778 0.796875
134 ASN ASP THR SER GLN THR SER SER PRO SER OPE 0.402439 0.756757
135 ARG TYR PRO LEU THR PHE GLY TRP 0.402174 0.813333
136 LYS THR PHE PRO PRO THR GLU PRO LYS 0.401235 0.892308
137 MAA LYS PRO PHE 0.4 0.78125
Similar Ligands (3D)
Ligand no: 1; Ligand: GLN LEU SER PRO PHE PRO PHE ASP LEU; 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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