Receptor
PDB id Resolution Class Description Source Keywords
2BNQ 1.7 Å NON-ENZYME: IMMUNE STRUCTURAL AND KINETIC BASIS FOR HEIGHTENED IMMUNOGENICITY OF T CELL VACCINES HOMO SAPIENS IMMUNE SYSTEM/RECEPTOR IMMUNE SYSTEM/RECEPTOR/COMPLEX TCR MHC IMMUNODOMINANCE FLU COMPLEX PEPTIDE TRANSMEMBRANE GLYCOPROTEIN SIGNAL POLYMORPHISM T-CELL RECEPTOR SUPERAGONIST PEPTIDE T-CELL VACCINES
Ref.: STRUCTURAL AND KINETIC BASIS FOR HEIGHTENED IMMUNOGENICITY OF T CELL VACCINES J.EXP.MED. V. 201 1243 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER LEU LEU MET TRP ILE THR GLN VAL C:1;
Valid;
none;
Kd = 5 uM
1075.36 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BNQ 1.7 Å NON-ENZYME: IMMUNE STRUCTURAL AND KINETIC BASIS FOR HEIGHTENED IMMUNOGENICITY OF T CELL VACCINES HOMO SAPIENS IMMUNE SYSTEM/RECEPTOR IMMUNE SYSTEM/RECEPTOR/COMPLEX TCR MHC IMMUNODOMINANCE FLU COMPLEX PEPTIDE TRANSMEMBRANE GLYCOPROTEIN SIGNAL POLYMORPHISM T-CELL RECEPTOR SUPERAGONIST PEPTIDE T-CELL VACCINES
Ref.: STRUCTURAL AND KINETIC BASIS FOR HEIGHTENED IMMUNOGENICITY OF T CELL VACCINES J.EXP.MED. V. 201 1243 2005
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 2F53 - SER LEU LEU MET TRP ILE THR GLN CYS 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
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: SER LEU LEU MET TRP ILE THR GLN VAL; Similar ligands found: 66
No: Ligand ECFP6 Tc MDL keys Tc
1 SER LEU LEU MET TRP ILE THR GLN VAL 1 1
2 SER LEU LEU MET TRP ILE THR GLN ALA 0.848 0.983607
3 SER LEU LEU MET TRP ILE THR GLN LEU 0.846774 0.983607
4 SER LEU LEU MET TRP ILE THR GLN SER 0.84 0.983607
5 SER LEU LEU MET TRP ILE THR GLN CYS 0.820312 0.983607
6 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.556962 0.811594
7 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.538961 0.888889
8 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.516129 0.818182
9 ALA SER ASN GLU ASN TRP GLU THR MET 0.5 0.935484
10 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.49375 0.875
11 ASP TRP GLU ILE VAL 0.492754 0.770492
12 MET LEU ILE TYR SER MET TRP GLY LYS 0.488235 0.867647
13 LEU LEU TRP ASN GLY PRO MET GLN VAL 0.488095 0.75
14 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.487654 0.797101
15 GLY LEU MET TRP LEU SER TYR PHE VAL 0.487179 0.863636
16 SER ARG TYR TRP ALA ILE ARG THR ARG 0.481707 0.75
17 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.474359 0.738462
18 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.473333 0.768116
19 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.473054 0.788732
20 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.46988 0.80597
21 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.468571 0.763889
22 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.465839 0.859375
23 ASP ASN TRP GLN ASN GLY THR SER 0.464052 0.796875
24 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.460606 0.785714
25 01W ARG TRP THR DAB MET LEU GLY 0.456647 0.678571
26 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.45283 0.78125
27 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.450704 0.734375
28 SER SER VAL ILE GLY VAL TRP TYR LEU 0.447205 0.830769
29 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.44586 0.771429
30 ALA TRP LEU PHE GLU ALA 0.445205 0.725806
31 LEU LEU TRP ALA GLY PRO MET ALA VAL 0.443114 0.722222
32 ARG LEU TRP SER 0.440559 0.735294
33 GLU LEU GLU LYS TRP ALA SER 0.437909 0.796875
34 GLU ALA THR GLN LEU MET ASN 0.435714 0.737705
35 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.433526 0.791045
36 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.431034 0.75
37 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.429448 0.822581
38 GLN GLU GLU TRP SEP THR VAL MET 0.428571 0.84058
39 FME ASP VAL GLU ALA TRP LEU 0.428571 0.836066
40 SER SER VAL VAL GLY VAL TRP TYR LEU 0.427673 0.815385
41 ALA ALA TRP LEU PHE GLU ALA 0.427632 0.725806
42 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.425926 0.857143
43 SER PRO LEU ASP SER LEU TRP TRP ILE 0.424242 0.763889
44 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.419753 0.8125
45 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.417143 0.708333
46 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.417143 0.820895
47 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.416667 0.708333
48 SER LEU LYS LEU MET THR THR VAL 0.416058 0.746032
49 GLU LEU ASP ORN TRP ALA SER 0.414013 0.854839
50 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.4125 0.828125
51 GLU LEU ASP LYS TRP ALA SER 0.411392 0.84127
52 GLU ALA ASP LYS TRP GLN SER 0.411392 0.78125
53 MET HIS PRO ALA GLN THR SER GLN TRP 0.409836 0.794521
54 LEU LEU TRP ASN GLY PRO ILE ALA VAL 0.409357 0.708333
55 GLU LEU ASP LYS TRP ALA ASN 0.408805 0.796875
56 GLU GLN ASP LYS TRP ALA SER 0.408805 0.78125
57 GLU LEU ASP HOX TRP ALA SER 0.40625 0.8125
58 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.405714 0.777778
59 ACE ASN TRP GLU THR PHE 0.405229 0.765625
60 MET ASP TRP ASN MET HIS ALA ALA 0.404908 0.828125
61 GLU LEU ASP NRG TRP ALA SER 0.404762 0.679487
62 ALA THR ILE MET MET GLN ARG GLY 0.402985 0.65
63 SER LEU LYS ILE ASP ASN MET ASP 0.401316 0.765625
64 GLU LEU ASP LYS TRP ALA GLY 0.401274 0.765625
65 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.401099 0.782609
66 ALA LEU ASP LYS TRP ALA SER 0.4 0.84127
Similar Ligands (3D)
Ligand no: 1; Ligand: SER LEU LEU MET TRP ILE 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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