Receptor
PDB id Resolution Class Description Source Keywords
2UWE 2.4 Å NON-ENZYME: IMMUNE LARGE CDR3A LOOP ALTERATION AS A FUNCTION OF MHC MUTATION HOMO SAPIENS HOST-VIRUS INTERACTION PYRROLIDONE CARBOXYLIC ACID GLYCOPRTRANSMEMBRANE IMMUNE SYSTEM MHC I MEMBRANE RECEPTOR CLMHC HYPOTHETICAL PROTEIN IMMUNOGLOBULIN DOMAIN IMMUNOGLOIMMUNE RESPONSE TCR-PMHC COMPLEX T CELL SIGNALING DISEASMUTATION
Ref.: SINGLE MHC MUTATION ELIMINATES ENTHALPY ASSOCIATED CELL RECEPTOR BINDING. J.MOL.BIOL. V. 373 315 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA LEU TRP GLY PHE PHE PRO VAL LEU C:1;
J:1;
Valid;
Valid;
none;
none;
submit data
1049.28 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LP9 2 Å NON-ENZYME: IMMUNE XENOREACTIVE COMPLEX AHIII 12.2 TCR BOUND TO P1049/HLA-A2.1 HOMO SAPIENS IMMUNOREGULATORY COMPLEX CLASS I MHC:TCR CO-CRYSTAL IMMUNE
Ref.: A CORRELATION BETWEEN TCR VALPHA DOCKING ON MHC AND DEPENDENCE: IMPLICATIONS FOR T CELL SELECTION. IMMUNITY V. 19 595 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 2JCC - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
2 2UWE - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
3 1LP9 - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
70% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 4JFF Kd = 600 pM GLU LEU ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
2 4JFD Kd = 36 uM GLU LEU ALA ALA ILE GLY ILE LEU THR VAL n/a n/a
3 2F53 - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
4 2P5E - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
5 2BNQ Kd = 5 uM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
6 2BNR Kd = 13.3 uM SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
7 2PYE - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
8 2P5W - SER LEU LEU MET TRP ILE THR GLN CYS 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 5IVX Kd ~ 0.54 uM ARG GLY PRO GLY ARG ALA PHE VAL THR ILE n/a n/a
17 5EU6 - TYR LEU GLU PRO GLY PRO VAL THR VAL n/a n/a
18 1BD2 - LEU LEU PHE GLY TYR PRO VAL TYR VAL n/a n/a
19 5JHD Kd = 37 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
20 2UWE - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
21 3QDJ - ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
22 5C09 - TYR LEU GLY GLY PRO ASP PHE PRO THR ILE n/a n/a
23 5C0A - MET VAL TRP GLY PRO ASP PRO LEU TYR VAL n/a n/a
24 5C08 - ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL n/a n/a
25 5C0B - ARG GLN PHE GLY PRO ASP PHE PRO THR ILE n/a n/a
26 5C07 - TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA n/a n/a
27 5C0C - ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA n/a n/a
28 5BS0 Kd = 76.7 nM GLU SER ASP PRO ILE VAL ALA GLN TYR n/a n/a
29 1MI5 Kd ~ 10 uM PHE LEU ARG GLY ARG ALA TYR GLY LEU n/a n/a
30 3VXS - ARG TYR PRO LEU THR LEU GLY TRP CYS PHE n/a n/a
31 3VXR - ARG TYR PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
32 4G9F - LYS ARG TRP ILE ILE MET GLY LEU ASN LYS n/a n/a
33 4G8G - LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS n/a n/a
50% Homology Family (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 4JFF Kd = 600 pM GLU LEU ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
2 4JFD Kd = 36 uM GLU LEU ALA ALA ILE GLY ILE LEU THR VAL n/a n/a
3 2F53 - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
4 2P5E - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
5 2BNQ Kd = 5 uM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
6 2BNR Kd = 13.3 uM SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
7 2PYE - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
8 2P5W - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
9 3VXM - ARG PHE PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
10 5JZI - LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL n/a n/a
11 5HHM - GLY ILE LEU GLY LEU VAL PHE THR LEU n/a n/a
12 2VLK - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
13 2VLJ - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
14 1OGA - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
15 2VLR - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
16 5ISZ Kd = 27 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
17 3QFJ - LEU LEU PHE GLY PHE PRO VAL TYR VAL n/a n/a
18 5IVX Kd ~ 0.54 uM ARG GLY PRO GLY ARG ALA PHE VAL THR ILE n/a n/a
19 5EU6 - TYR LEU GLU PRO GLY PRO VAL THR VAL n/a n/a
20 1BD2 - LEU LEU PHE GLY TYR PRO VAL TYR VAL n/a n/a
21 5JHD Kd = 37 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
22 4NQD - 2LJ C12 H18 N4 O7 CC(=O)/C=N....
23 4LCW - 1VY C12 H16 N4 O7 CC1=C(N(C2....
24 4L4V Kd = 1.65 uM 1VY C12 H16 N4 O7 CC1=C(N(C2....
25 2JCC - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
26 2UWE - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
27 1LP9 - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
28 3QDJ - ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
29 5C09 - TYR LEU GLY GLY PRO ASP PHE PRO THR ILE n/a n/a
30 5C0A - MET VAL TRP GLY PRO ASP PRO LEU TYR VAL n/a n/a
31 5C08 - ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL n/a n/a
32 5C0B - ARG GLN PHE GLY PRO ASP PHE PRO THR ILE n/a n/a
33 5C07 - TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA n/a n/a
34 5C0C - ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA n/a n/a
35 5BS0 Kd = 76.7 nM GLU SER ASP PRO ILE VAL ALA GLN TYR n/a n/a
36 1MI5 Kd ~ 10 uM PHE LEU ARG GLY ARG ALA TYR GLY LEU n/a n/a
37 3VXS - ARG TYR PRO LEU THR LEU GLY TRP CYS PHE n/a n/a
38 3VXR - ARG TYR PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
39 1MWA - GLU GLN TYR LYS PHE TYR SER VAL n/a n/a
40 4G9F - LYS ARG TRP ILE ILE MET GLY LEU ASN LYS n/a n/a
41 4G8G - LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA LEU TRP GLY PHE PHE PRO VAL LEU; Similar ligands found: 130
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA LEU TRP GLY PHE PHE PRO VAL LEU 1 1
2 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.887218 1
3 ARG PHE PRO LEU THR PHE GLY TRP 0.6375 0.830986
4 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.617647 0.808219
5 ARG TYR PRO LEU THR PHE GLY TRP 0.614458 0.808219
6 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.612121 0.867647
7 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.598684 0.888889
8 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.598684 0.888889
9 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.587571 0.786667
10 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.577381 0.835821
11 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.566879 0.95082
12 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.566667 0.773333
13 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.565789 0.753846
14 LEU PHE GLY TYR PRO VAL TYR VAL 0.562914 0.888889
15 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.56 0.783784
16 SER TRP PHE PRO 0.550725 0.84375
17 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.55 0.875
18 ALA PRO ALA TRP LEU PHE GLU ALA 0.54375 0.966667
19 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.542857 0.855072
20 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.541667 0.893939
21 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.538961 0.876923
22 PHE SER ASP PRO TRP GLY GLY 0.538462 0.846154
23 MET TYR TRP TYR PRO TYR 0.532895 0.820895
24 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.529412 0.826087
25 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.521472 0.808824
26 ALA VAL PRO TRP 0.518248 0.915254
27 SER PRO LEU ASP SER LEU TRP TRP ILE 0.5125 0.893939
28 ASN ASP TRP LEU LEU PRO SER TYR 0.502959 0.842857
29 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.496732 0.883333
30 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.494186 0.84058
31 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.491429 0.820895
32 PRO GLN PRO VAL ASP SER TRP VAL 0.491124 0.863636
33 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.491124 0.903226
34 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.490566 0.791667
35 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.487654 0.75
36 MDL 0.486111 0.735294
37 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.48538 0.863636
38 PHE ALA PRO GLY ASN TYI PRO ALA LEU 0.479042 0.77027
39 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.477528 0.828571
40 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.477419 0.983051
41 THR LEU PRO TRP ASP LEU TRP THR THR 0.475309 0.892308
42 GLY SER ASP PRO TRP LYS 0.474026 0.830769
43 ALA TRP LEU PHE GLU ALA 0.472973 0.779661
44 SER SER VAL VAL GLY VAL TRP TYR LEU 0.471698 0.705882
45 ARG PRO MET THR PHE LYS GLY ALA LEU 0.471591 0.710526
46 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.471338 0.691176
47 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.470899 0.867647
48 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.469945 0.763158
49 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.46988 0.826087
50 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.468208 0.876923
51 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.466292 0.828571
52 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.465517 0.835821
53 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.465116 0.764706
54 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.461538 0.876923
55 GLY LEU MET TRP LEU SER TYR PHE VAL 0.460606 0.704225
56 TRP PRO TRP 0.459854 0.881356
57 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.458101 0.742857
58 ILE ASP TRP PHE ASP GLY LYS ASP 0.45625 0.822581
59 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.45614 0.887097
60 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.45509 0.726027
61 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.453988 0.833333
62 PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.453552 0.919355
63 SER SER VAL ILE GLY VAL TRP TYR LEU 0.451807 0.695652
64 ILE ASP TRP PHE GLU GLY LYS GLU 0.451219 0.852459
65 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.449704 0.848485
66 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.448649 0.838235
67 VAL MET ALA PRO ARG THR LEU PHE LEU 0.447674 0.697368
68 MET LEU ILE TYR SER MET TRP GLY LYS 0.446328 0.736111
69 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.445652 0.80597
70 ALA ALA TRP LEU PHE GLU ALA 0.445161 0.779661
71 PHE PRO THR LYS ASP VAL ALA LEU 0.445122 0.815385
72 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.44382 0.68
73 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.443787 0.835821
74 SER ASP ILE LEU PHE PRO ALA ASP SER 0.44375 0.80303
75 ILE ASP TRP PHE ASP GLY LYS GLU 0.442424 0.822581
76 ACE TRP ARG VAL PRO 0.442308 0.835821
77 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.440476 0.675325
78 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.440476 0.69697
79 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.439153 0.721519
80 GLU PRO GLN ALA PRO TRP MET GLU 0.438596 0.848485
81 ALA LEU ASP LYS TRP ASP 0.438356 0.803279
82 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.438202 0.721519
83 DHI PRO PHE HIS LEU LEU VAL TYR 0.438202 0.861538
84 MET TRP ARG PRO TRP 0.436364 0.771429
85 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.436047 0.767123
86 LEU SER SER PRO VAL THR LYS SER PHE 0.435583 0.80303
87 TRP GLU TYR ILE PRO ASN VAL 0.434286 0.852941
88 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.431953 0.735294
89 ALA LEU ASP LYS TRP ALA SER 0.431373 0.78125
90 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.430168 0.736842
91 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.428571 0.734177
92 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.427835 0.734177
93 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.427778 0.838235
94 LEU ASN PHE PRO ILE SER PRO 0.426752 0.808824
95 ILE SER PRO ARG THR LEU ASP ALA TRP 0.426316 0.783784
96 ARG PRO MET THR TYR LYS GLY ALA LEU 0.42623 0.705128
97 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.426136 0.814286
98 PRO ALA TRP LEU PHE GLU ALA 0.42515 0.881356
99 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.425 0.728571
100 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.422619 0.84375
101 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.422222 0.835821
102 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.42069 0.68254
103 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.419162 0.859375
104 ARG LEU TRP SER 0.418919 0.695652
105 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.416216 0.746667
106 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.416185 0.794118
107 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.41573 0.730769
108 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.415205 0.80597
109 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.414773 0.861538
110 LEU PRO PHE GLU LYS SER THR VAL MET 0.414773 0.771429
111 ASP SER TRP LYS ASP GLY CYS TYR 0.41358 0.757576
112 ACE PHE HIS PRO ALA NH2 0.413333 0.822581
113 PRO HIS PRO PHE HIS STA VAL ILE HIS LYS 0.412371 0.835821
114 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.412088 0.716216
115 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.410714 0.671053
116 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.409836 0.739726
117 ASP ARG VAL TYR ILE HIS PRO PHE 0.409574 0.794521
118 SER SER GLY LYS VAL PRO LEU SER 0.409091 0.8
119 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.407609 0.72973
120 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.407407 0.723684
121 GLY ILE LEU GLY PHE VAL PHE THR LEU 0.406452 0.646154
122 MET HIS PRO ALA GLN THR SER GLN TRP 0.406417 0.780822
123 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.405556 0.811594
124 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.403727 0.641791
125 ARG SEP PRO VAL PHE SER 0.403509 0.649351
126 GLY SER ASP PRO PHE LYS 0.402597 0.769231
127 IPF 0.402439 0.830769
128 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.4 0.633803
129 GLU LEU ASP HOX TRP ALA SER 0.4 0.716418
130 TYR GLY GLY PHE LEU 0.4 0.698413
Similar Binding Sites (Proteins are less than 50% similar to leader)
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