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 208 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 (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 5IVX Kd ~ 0.54 uM ARG GLY PRO GLY ARG ALA PHE VAL THR ILE n/a n/a
2 2JCC - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
3 2UWE - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
4 1LP9 - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
5 1MWA - GLU GLN TYR LYS PHE TYR SER VAL n/a n/a
50% Homology Family (43)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 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 6BJ8 - VAL PRO LEU THR GLU ASP ALA GLU LEU n/a n/a
22 6BJ3 Kd = 17 uM ILE PRO LEU THR GLU GLU ALA GLU LEU n/a n/a
23 5JHD Kd = 37 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
24 4NQD - 2LJ C12 H20 N4 O6 CC/C=N/C1=....
25 4LCW - 1VY C12 H16 N4 O7 CC1=C(N(C2....
26 4L4V Kd = 1.65 uM 1VY C12 H16 N4 O7 CC1=C(N(C2....
27 2JCC - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
28 2UWE - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
29 1LP9 - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
30 3QDJ - ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
31 5C09 - TYR LEU GLY GLY PRO ASP PHE PRO THR ILE n/a n/a
32 5C0A - MET VAL TRP GLY PRO ASP PRO LEU TYR VAL n/a n/a
33 5C08 - ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL n/a n/a
34 5C0B - ARG GLN PHE GLY PRO ASP PHE PRO THR ILE n/a n/a
35 5C07 - TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA n/a n/a
36 5C0C - ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA n/a n/a
37 5BS0 Kd = 76.7 nM GLU SER ASP PRO ILE VAL ALA GLN TYR 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
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA LEU TRP GLY PHE PHE PRO VAL LEU; Similar ligands found: 123
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 0.888889 1
3 ARG PHE PRO LEU THR PHE GLY TRP 0.652174 0.84507
4 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.631579 0.821918
5 ARG TYR PRO LEU THR PHE GLY TRP 0.625 0.821918
6 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.601124 0.8
7 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.6 0.882353
8 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.588235 0.890625
9 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.588235 0.890625
10 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.571429 0.786667
11 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.56875 0.951613
12 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.568627 0.757576
13 LEU PHE GLY TYR PRO VAL TYR VAL 0.54902 0.890625
14 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.546448 0.797297
15 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.54375 0.863636
16 SER TRP PHE PRO 0.539007 0.846154
17 PHE SER ASP PRO TRP GLY GLY 0.537975 0.848485
18 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.534884 0.84058
19 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.522222 0.857143
20 ALA VAL PRO TRP 0.517986 0.933333
21 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.51462 0.797297
22 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.514286 0.909091
23 ASN ASP TRP LEU LEU PRO SER TYR 0.508772 0.857143
24 SER PRO LEU ASP SER LEU TRP TRP ILE 0.503067 0.895522
25 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.5 0.823529
26 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.491329 0.855072
27 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.488372 0.919355
28 ARG THR PHE SER PRO THR TYR GLY LEU 0.488235 0.76
29 PRO GLN PRO VAL ASP SER TRP VAL 0.488095 0.878788
30 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.480874 0.842857
31 MDL 0.479452 0.724638
32 PHE ALA PRO GLY ASN TYI PRO ALA LEU 0.47929 0.783784
33 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.47644 0.882353
34 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.475904 0.764706
35 THR LEU PRO TRP ASP LEU TRP THR THR 0.47561 0.893939
36 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.475 0.695652
37 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.474359 0.901639
38 SER SER VAL VAL GLY VAL TRP TYR LEU 0.47205 0.710145
39 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.470238 0.84058
40 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.465969 0.776316
41 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.465409 0.983333
42 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.464286 0.739726
43 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.463277 0.880597
44 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.461538 0.712121
45 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.460227 0.850746
46 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.45977 0.779412
47 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.457831 0.863636
48 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.457627 0.865672
49 GLY SER ASP PRO TRP LYS 0.45625 0.833333
50 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.456044 0.757143
51 SER SER VAL ILE GLY VAL TRP TYR LEU 0.45509 0.7
52 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.452128 0.852941
53 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.452128 0.763158
54 PRO GLY LEU TRP 0.452055 0.883333
55 TRP PRO TRP 0.45 0.883333
56 GLY LEU MET TRP LEU SER TYR PHE VAL 0.449102 0.708333
57 ILE ASP TRP PHE ASP GLY LYS ASP 0.448485 0.825397
58 SER ASP ILE LEU PHE PRO ALA ASP SER 0.447205 0.80597
59 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.447205 0.878788
60 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.446927 0.878788
61 LEU PRO SER PHE GLU THR ALA LEU 0.445122 0.80597
62 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.445055 0.693333
63 PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.44385 0.936508
64 ILE ASP TRP PHE GLU GLY LYS GLU 0.443787 0.854839
65 SER TRP PHE GLN THR ASP LEU 0.442424 0.731343
66 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.441989 0.734177
67 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.44186 0.780822
68 PRO GLY LEU TRP LYS SER 0.440994 0.883333
69 TRP GLU TYR ILE PRO ASN VAL 0.440678 0.867647
70 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.440217 0.842857
71 ARG LEU TRP SER 0.44 0.710145
72 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.438596 0.75
73 ARG PRO MET THR PHE LYS GLY ALA LEU 0.437838 0.723684
74 VAL MET ALA PRO ARG THR LEU PHE LEU 0.4375 0.710526
75 MET LEU ILE TYR SER MET TRP GLY LYS 0.437158 0.739726
76 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.436842 0.823529
77 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.436842 0.753247
78 LEU ASN PHE PRO ILE SER PRO 0.435897 0.823529
79 ILE ASP TRP PHE ASP GLY LYS GLU 0.435294 0.825397
80 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.435294 0.688312
81 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.435233 0.734177
82 ALA LEU ASP LYS TRP ASP 0.434211 0.822581
83 ALA PHE ARG ILE PRO LEU THR ARG 0.432749 0.739726
84 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.432584 0.716049
85 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.429379 0.816901
86 ILE SER PRO ARG THR LEU ASP ALA TRP 0.429319 0.797297
87 ALA LEU ASP LYS TRP ALA SER 0.427673 0.784615
88 DHI PRO PHE HIS LEU LEU VAL TYR 0.426966 0.863636
89 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.426136 0.888889
90 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.425414 0.84058
91 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.425 0.746835
92 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.424242 0.746835
93 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.422619 0.892308
94 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.422222 0.850746
95 MET TRP ARG PRO TRP 0.421053 0.785714
96 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.418919 0.6875
97 MET HIS PRO ALA GLN THR SER GLN TRP 0.417989 0.794521
98 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.417647 0.846154
99 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.417647 0.875
100 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.417178 0.694444
101 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.417143 0.863636
102 GLU PRO GLN ALA PRO TRP MET GLU 0.417143 0.863636
103 ASN GLN DPR TRP GLN 0.416149 0.825397
104 GLU LEU ASP HOX TRP ALA SER 0.415663 0.731343
105 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.415094 0.78125
106 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.414634 0.742857
107 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.41358 0.75
108 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.412791 0.808824
109 ARG SEP PRO VAL PHE SER 0.412791 0.662338
110 PHE PRO THR LYS ASP VAL ALA LEU 0.410405 0.833333
111 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.40884 0.892308
112 PRO GLN PHE SER LEU TRP LYS ARG 0.408284 0.815385
113 ACE PHE HIS PRO ALA NH2 0.407895 0.825397
114 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.40678 0.808824
115 HIS SER ILE THR TYR LEU LEU PRO VAL 0.405556 0.791667
116 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.403409 0.75
117 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.402367 0.764706
118 ACE PRO TRP ALA THR CYS ASP SER NH2 0.402299 0.814286
119 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.402299 0.808824
120 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.402174 0.791045
121 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.401163 0.753623
122 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.401163 0.684211
123 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.4 0.838235
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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