Receptor
PDB id Resolution Class Description Source Keywords
5EU6 2.02 Å NON-ENZYME: IMMUNE HLA CLASS I ANTIGEN HOMO SAPIENS IMMUNO HLA-A02 1E6-TCR CROSS-REACTIVITY IMMUNE SYSTEM
Ref.: A MOLECULAR SWITCH ABROGATES GLYCOPROTEIN 100 (GP10 RECEPTOR (TCR) TARGETING OF A HUMAN MELANOMA ANTIGE J.BIOL.CHEM. V. 291 8951 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 E:303;
A:308;
A:310;
A:309;
B:302;
B:304;
A:311;
B:303;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
EDO D:302;
A:301;
E:301;
A:304;
A:303;
A:302;
D:301;
B:301;
A:305;
A:306;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
GOL D:303;
A:307;
E:302;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
TYR LEU GLU PRO GLY PRO VAL THR VAL C:1;
 Valid;
 none;
 submit data
973.115 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EU6 2.02 Å NON-ENZYME: IMMUNE HLA CLASS I ANTIGEN HOMO SAPIENS IMMUNO HLA-A02 1E6-TCR CROSS-REACTIVITY IMMUNE SYSTEM
Ref.: A MOLECULAR SWITCH ABROGATES GLYCOPROTEIN 100 (GP10 RECEPTOR (TCR) TARGETING OF A HUMAN MELANOMA ANTIGE J.BIOL.CHEM. V. 291 8951 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 5EU6 - TYR LEU GLU PRO GLY PRO VAL THR VAL n/a n/a
70% Homology Family (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 6ULN - GLY ALA ASP GLY VAL GLY LYS SER ALA n/a n/a
2 2P5E - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
3 2BNQ Kd = 5 uM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
4 2BNR Kd = 13.3 uM SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
5 2PYE - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
6 2P5W - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
7 3VXM - ARG PHE PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
8 5JZI - LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL n/a n/a
9 5HHM - GLY ILE LEU GLY LEU VAL PHE THR LEU n/a n/a
10 2VLK - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
11 2VLJ - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
12 1OGA - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
13 2VLR - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
14 5ISZ Kd = 27 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
15 3QFJ - LEU LEU PHE GLY PHE PRO VAL TYR VAL n/a n/a
16 5EU6 - TYR LEU GLU PRO GLY PRO VAL THR VAL n/a n/a
17 1BD2 - LEU LEU PHE GLY TYR PRO VAL TYR VAL n/a n/a
18 6BJ3 Kd = 17 uM ILE PRO LEU THR GLU GLU ALA GLU LEU n/a n/a
19 5C0B - ARG GLN PHE GLY PRO ASP PHE PRO THR ILE n/a n/a
20 5C07 - TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA n/a n/a
21 5C0C - ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA n/a n/a
22 6TMO Kd = 0.75 nM GLU ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
23 4JFF Kd = 600 pM GLU LEU ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
24 4JFD Kd = 36 uM GLU LEU ALA ALA ILE GLY ILE LEU THR VAL n/a n/a
25 5BS0 Kd = 76.7 nM GLU SER ASP PRO ILE VAL ALA GLN TYR n/a n/a
26 6D78 - ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
27 3QDJ - ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
28 1MI5 Kd ~ 10 uM PHE LEU ARG GLY ARG ALA TYR GLY LEU n/a n/a
29 3VXS - ARG TYR PRO LEU THR LEU GLY TRP CYS PHE n/a n/a
30 3VXR - ARG TYR PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
31 4G9F - LYS ARG TRP ILE ILE MET GLY LEU ASN LYS n/a n/a
32 4G8G - LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS n/a n/a
33 6VRN - HIS MET THR GLU VAL VAL ARG HIS CYS n/a n/a
34 6RPB - SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
50% Homology Family (50)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 6ULN - GLY ALA ASP GLY VAL GLY LYS SER ALA n/a n/a
2 2F53 - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
3 2P5E - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
4 2BNQ Kd = 5 uM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
5 2BNR Kd = 13.3 uM SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
6 2PYE - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
7 2P5W - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
8 3VXM - ARG PHE PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
9 5JZI - LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL n/a n/a
10 5HHM - GLY ILE LEU GLY LEU VAL PHE THR LEU n/a n/a
11 2VLK - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
12 2VLJ - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
13 1OGA - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
14 2VLR - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
15 5ISZ Kd = 27 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
16 3QFJ - LEU LEU PHE GLY PHE PRO VAL TYR VAL n/a n/a
17 5IVX Kd ~ 0.54 uM ARG GLY PRO GLY ARG ALA PHE VAL THR ILE n/a n/a
18 5EU6 - TYR LEU GLU PRO GLY PRO VAL THR VAL n/a n/a
19 1BD2 - LEU LEU PHE GLY TYR PRO VAL TYR VAL n/a n/a
20 6BJ8 - VAL PRO LEU THR GLU ASP ALA GLU LEU n/a n/a
21 6BJ3 Kd = 17 uM ILE PRO LEU THR GLU GLU ALA GLU LEU n/a n/a
22 5JHD Kd = 37 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
23 2JCC - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
24 2UWE - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
25 1LP9 - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
26 5C09 - TYR LEU GLY GLY PRO ASP PHE PRO THR ILE n/a n/a
27 5C0A - MET VAL TRP GLY PRO ASP PRO LEU TYR VAL n/a n/a
28 5C08 - ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL n/a n/a
29 5C0B - ARG GLN PHE GLY PRO ASP PHE PRO THR ILE n/a n/a
30 5C07 - TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA n/a n/a
31 5C0C - ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA n/a n/a
32 6TMO Kd = 0.75 nM GLU ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
33 4JFF Kd = 600 pM GLU LEU ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
34 4JFD Kd = 36 uM GLU LEU ALA ALA ILE GLY ILE LEU THR VAL n/a n/a
35 5BS0 Kd = 76.7 nM GLU SER ASP PRO ILE VAL ALA GLN TYR n/a n/a
36 6D78 - ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
37 3QDJ - ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
38 1MI5 Kd ~ 10 uM PHE LEU ARG GLY ARG ALA TYR GLY LEU n/a n/a
39 3VXS - ARG TYR PRO LEU THR LEU GLY TRP CYS PHE n/a n/a
40 3VXR - ARG TYR PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
41 1MWA - GLU GLN TYR LYS PHE TYR SER VAL n/a n/a
42 4G9F - LYS ARG TRP ILE ILE MET GLY LEU ASN LYS n/a n/a
43 4G8G - LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS n/a n/a
44 6VRN - HIS MET THR GLU VAL VAL ARG HIS CYS n/a n/a
45 6PVD Kd = 200 uM N18 C9 H11 N3 O5 COC(=O)CCN....
46 4NQD - 2LJ C12 H20 N4 O6 CC/C=N/C1=....
47 4LCW - 1VY C12 H16 N4 O7 CC1=C(N(C2....
48 4L4V Kd = 1.65 uM 1VY C12 H16 N4 O7 CC1=C(N(C2....
49 6PVC Kd = 172 uM P1J C8 H9 N3 O5 C1=C(NC(=O....
50 6RPB - SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TYR LEU GLU PRO GLY PRO VAL THR VAL; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR LEU GLU PRO GLY PRO VAL THR VAL 1 1
2 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.917355 1
3 TYR LEU ALA PRO GLY PRO VAL THR ALA 0.777778 0.984615
4 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.744186 0.969231
5 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.61039 0.882353
6 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.573248 0.955224
7 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.56129 0.927536
8 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.552632 0.867647
9 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.536424 0.893939
10 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.536424 0.893939
11 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.535484 0.969231
12 GLU PRO VAL GLU THR THR ASP TYR 0.517241 0.953125
13 HIS SER ILE THR TYR LEU LEU PRO VAL 0.5125 0.9
14 TYR SEP PRO THR SEP PRO SER 0.510791 0.833333
15 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.496774 0.953846
16 LEU PHE GLY TYR PRO VAL TYR VAL 0.496689 0.893939
17 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.493902 0.910448
18 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.493506 0.9375
19 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.485915 0.876923
20 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.485876 0.861111
21 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.481481 0.808824
22 VAL PRO LEU ARG PRO MET THR TYR 0.469136 0.851351
23 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.463855 0.926471
24 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.4625 0.865672
25 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.462025 0.771429
26 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.46 0.876923
27 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.458824 0.851351
28 ASN LEU VAL PRO THR VAL ALA THR VAL 0.458333 0.876923
29 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.455621 0.910448
30 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.451389 0.875
31 ILE LEU GLY PRO PRO GLY SER VAL TYR 0.450617 0.969697
32 GLN MET PRO THR GLU ASP GLU TYR 0.45 0.911765
33 ASP ILE ASN TYR TYR THR SER GLU PRO 0.449367 0.898551
34 LEU PRO SER PHE GLU THR ALA LEU 0.448718 0.923077
35 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.447853 0.926471
36 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.446667 0.907692
37 ASP ILE ALA TYR TYR THR SER GLU PRO 0.444444 0.911765
38 TYR ASP LEU SEP LEU PRO PHE PRO 0.442424 0.837838
39 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.442424 0.954545
40 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.442177 0.876923
41 ARG THR PHE SER PRO THR TYR GLY LEU 0.440476 0.863014
42 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.439759 0.895522
43 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.43787 0.9
44 ASN LEU VAL PRO SER VAL ALA THR VAL 0.436242 0.878788
45 ACE TYR PRO ILE GLN GLU THR 0.435065 0.878788
46 LYS THR PHE PRO PRO THR GLU PRO LYS 0.434783 0.9375
47 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.434286 0.849315
48 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.434066 0.864865
49 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.433333 0.890625
50 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.431818 0.835616
51 LEU SER SER PRO VAL THR LYS SER PHE 0.43125 0.907692
52 LYS LEU THR PRO LEU CYS VAL THR LEU 0.430464 0.892308
53 LEU LEU TRP ASN GLY PRO ILE ALA VAL 0.428571 0.84058
54 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.428571 0.910448
55 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.428571 0.898551
56 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.427746 0.869565
57 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.427673 0.909091
58 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.426966 0.851351
59 PHE ASN ARG PRO VAL 0.426667 0.774648
60 LEU PRO PHE GLU LYS SER THR VAL MET 0.426035 0.884058
61 GLN ASN TYR PRO ILE VAL GLN 0.425806 0.909091
62 ASN LEU VAL PRO MET VAL ALA THR VAL 0.425806 0.826087
63 TYR LEU VAL VAL VAL GLY ALA VAL GLY VAL 0.42446 0.692308
64 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.424419 0.808219
65 ASP TYR ILE ASN THR ASN VAL LEU PRO 0.424051 0.939394
66 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.423729 0.835616
67 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.423313 0.953846
68 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.423077 0.910448
69 ARG VAL SER PRO SER THR SER TYR THR PRO 0.421769 0.907692
70 PHE PRO THR LYS ASP VAL ALA LEU 0.420732 0.953125
71 LEU LEU TRP ALA GLY PRO MET ALA VAL 0.420118 0.777778
72 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.419162 0.861111
73 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.418994 0.756757
74 TRP GLU TYR ILE PRO ASN VAL 0.418605 0.871429
75 SER GLU CYS THR THR PRO CYS 0.416667 0.848485
76 PHE ASN PHE PRO GLN ILE THR 0.416667 0.852941
77 LYS PRO VAL LEU ARG THR ALA 0.416667 0.814286
78 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.416185 0.808219
79 PRO ARG GLY TYR PRO GLY GLN VAL 0.415094 0.907692
80 LEU LEU TRP ASN GLY PRO MET GLN VAL 0.414773 0.805556
81 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.413408 0.84
82 GLU TYR GLY PRO LYS TRP ASN LYS 0.413333 0.875
83 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.412791 0.830986
84 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.412698 0.780488
85 LEU PRO PHE GLU ARG ALA THR VAL MET 0.412429 0.810811
86 MET THR SER ALA ILE GLY ILE LEU PRO VAL 0.411043 0.828571
87 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.411043 0.940298
88 GLU ALA ASP PRO THR GLY HIS SER TYR 0.409091 0.898551
89 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.408537 0.895522
90 PHE LEU THR GLY ILE GLY ILE ILE THR VAL 0.406897 0.707692
91 DTY ILE ARG LEU LPD 0.405229 0.802817
92 GLY SER TYR LEU VAL THR SER VAL 0.404255 0.753846
93 SER MET PRO GLU LEU SER PRO VAL LEU 0.403974 0.855072
94 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.403614 0.830986
95 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.402367 0.788732
96 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.402299 0.910448
97 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.402299 0.910448
98 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.402235 0.767123
99 ALA THR PRO PHE GLN GLU 0.401316 0.859375
100 ARG TYR PRO LEU THR PHE GLY TRP 0.40107 0.851351
101 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.4 0.892308
102 LYS GLY PRO PRO ALA ALA LEU THR LEU 0.4 0.9375
103 PHE SER HIS PRO GLN ASN THR 0.4 0.855072
104 TYR TYR SER ILE ILE PRO HIS SER ILE 0.4 0.873239
105 PRO SER TYR SEP PRO THR SEP PRO SER 0.4 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: TYR LEU GLU PRO GLY PRO VAL THR 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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