Receptor
PDB id Resolution Class Description Source Keywords
5HHM 2.5 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE JM22 TCR IN COMPLEX WITH HLA-A*0201 COMPLEX WITH M1-F5L HOMO SAPIENS HLA A*0201 INFLUENZA M1 TCR T CELL IMMUNE SYSTEM
Ref.: MOLECULAR BASIS FOR UNIVERSAL HLA-A*0201-RESTRICTED T-CELL IMMUNITY AGAINST INFLUENZA VIRUSES. PROC.NATL.ACAD.SCI.USA V. 113 4440 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY ILE LEU GLY LEU VAL PHE THR LEU C:1;
H:1;
Valid;
Valid;
none;
none;
submit data
932.174 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OGA 1.4 Å NON-ENZYME: IMMUNE A STRUCTURAL BASIS FOR IMMUNODOMINANT HUMAN T-CELL RECEPTOR RECOGNITION. HOMO SAPIENS IMMUNE SYSTEM/RECEPTOR IMMUNE SYSTEM/RECEPTOR/COMPLEX TCR MHC IMMUNODOMINANCE FLU COMPLEX PEPTIDE TRANSMEMBRANE GLYCOPROTEIN SIGNAL POLYMORPHISM T-CELL RECEPTOR
Ref.: A STRUCTURAL BASIS FOR IMMUNODOMINANT HUMAN T CELL RECEPTOR RECOGNITION NAT.IMMUNOL. V. 4 657 2003
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 5HHM - GLY ILE LEU GLY LEU VAL PHE THR LEU n/a n/a
2 2VLK - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
3 2VLJ - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
4 1OGA - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
5 2VLR - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
70% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 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 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 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 3QDJ - ALA ALA GLY ILE GLY ILE LEU THR VAL 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 5BS0 Kd = 76.7 nM GLU SER ASP PRO ILE VAL ALA GLN TYR n/a n/a
23 1MI5 Kd ~ 10 uM PHE LEU ARG GLY ARG ALA TYR GLY LEU n/a n/a
24 3VXS - ARG TYR PRO LEU THR LEU GLY TRP CYS PHE n/a n/a
25 3VXR - ARG TYR PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
26 4G9F - LYS ARG TRP ILE ILE MET GLY LEU ASN LYS n/a n/a
27 4G8G - LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 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: GLY ILE LEU GLY LEU VAL PHE THR LEU; Similar ligands found: 95
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY ILE LEU GLY LEU VAL PHE THR LEU 1 1
2 GLY ILE LEU GLY PHE VAL PHE THR LEU 0.768519 0.938776
3 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.733945 0.92
4 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.710744 0.839286
5 PHE LEU THR GLY ILE GLY ILE ILE THR VAL 0.568965 0.958333
6 LYS VAL ILE THR PHE ILE ASP LEU 0.552846 0.901961
7 ALA LEU GLY ILE GLY ILE LEU THR VAL 0.53211 0.93617
8 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.527132 0.867925
9 LEU VAL THR LEU VAL PHE VAL 0.526786 0.829787
10 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.526786 0.854167
11 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.519685 0.849057
12 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.518248 0.704918
13 ASP ASP MET GLY PHE GLY LEU PHE ASP 0.517857 0.857143
14 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.517857 0.857143
15 SER LEU PHE ASN THR VAL ALA THR LEU 0.512 0.86
16 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.503876 0.867925
17 CYS VAL ASN GLY SER CYS PHE THR VAL 0.5 0.882353
18 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.5 0.82
19 GLY ILE ILE ASN THR LEU 0.490566 0.877551
20 FME TYR PHE ILE ASN ILE LEU THR LEU 0.488889 0.745763
21 GLN VAL ASN PHE LEU GLY LYS 0.488372 0.826923
22 LEU ALA GLY ILE GLY ILE LEU THR VAL 0.478632 0.895833
23 LYS ILE LEU GLY PRV VAL PHE PRQ VAL 0.476821 0.628571
24 ALA ALA GLY ILE GLY ILE LEU THR VAL 0.474138 0.895833
25 MSE ILE LEU GLY PRV VAL PHE PRQ VAL 0.470199 0.60274
26 SER ILE ILE GLY PHE GLU LYS LEU 0.466165 0.901961
27 ALA LEU ALA GLY ILE GLY ILE LEU THR VAL 0.466102 0.895833
28 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.465753 0.721311
29 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.465116 0.92
30 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.463768 0.811321
31 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.462687 0.818182
32 TYR GLY GLY PHE LEU 0.457627 0.811321
33 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.457143 0.75
34 GLU THR PHE TYR VAL ASP GLY 0.456693 0.833333
35 ARG GLY TYR VAL TYR GLN GLY LEU 0.448529 0.716667
36 GLU LEU ALA GLY ILE GLY ILE LEU THR VAL 0.448 0.877551
37 SER LEU TYR LEU THR VAL ALA THR LEU 0.448 0.807692
38 ARG THR PHE SER PRO THR TYR GLY LEU 0.447368 0.630137
39 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.438356 0.661538
40 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.438356 0.661538
41 ILE LEU SER ALA LEU VAL GLY ILE LEU 0.438017 0.875
42 LYS VAL LEU PHE LEU ASP GLY 0.436508 0.84
43 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.436242 0.666667
44 SER LEU PHE ASN THR ILE ALA VAL LEU 0.434783 0.88
45 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.433824 0.770492
46 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.430894 0.735849
47 GLU LEU ALA ALA ILE GLY ILE LEU THR VAL 0.429688 0.895833
48 GLU ALA ALA GLY ILE GLY ILE LEU THR VAL 0.429688 0.877551
49 SER LEU TYR ASN VAL VAL ALA THR LEU 0.428571 0.811321
50 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.428571 0.746032
51 SER SER VAL ILE GLY VAL TRP TYR LEU 0.428571 0.766667
52 ALA GLU THR PHE TYR VAL ASP GLY 0.42735 0.730769
53 LEU PHE GLY TYR PRO VAL TYR VAL 0.426573 0.661538
54 LYS LYS SER LYS THR LYS CYS VAL ILE PHE 0.42623 0.897959
55 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.425676 0.741379
56 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.425373 0.796296
57 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.424658 0.646154
58 CYS THR PHE LYS THR LYS THR ASN 0.424 0.796296
59 ARG GLN ALA ASN PHE LEU GLY LYS 0.424 0.877551
60 SER LEU TYR ASN THR VAL ALA THR LEU 0.421053 0.811321
61 SER LEU TYR ASN THR ILE ALA THR LEU 0.41791 0.849057
62 SER ILE ILE ASN PHE GLU LYS LEU 0.416058 0.849057
63 ARG ARG LEU ILE PHE NH2 0.416 0.678571
64 TYS ILE TYS THR GLN 0.416 0.6
65 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.414966 0.745763
66 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.414815 0.833333
67 ALA ILE PHE GLN SER SER MET THR LYS 0.414286 0.789474
68 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.414286 0.704918
69 CYS LEU GLY GLY LEU LEU THR MET VAL 0.414062 0.796296
70 GLY ASN TYR SER PHE TYR ALA LEU 0.414062 0.818182
71 CYS VAL PHE MET 0.413793 0.730769
72 ALA PHE ARG ILE PRO LEU THR ARG 0.413333 0.676471
73 ARG TYR GLY PHE VAL ALA ASN PHE 0.412587 0.721311
74 ILE LYS LEU GLU THR LYS LYS THR LYS LEU 0.412281 0.846154
75 ARG PRO MET THR PHE LYS GLY ALA LEU 0.412121 0.638889
76 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.411765 0.736842
77 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.411348 0.777778
78 GLU ILE ILE ASN PHE GLU LYS LEU 0.408759 0.826923
79 PHE GLU ALA ASN GLY ASN LEU ILE 0.408759 0.862745
80 GRN NVA ALA GLY ILE GLY ILE LEU THR LPH 0.408163 0.867925
81 THR LYS CYS VAL PHE MET 0.407692 0.8
82 LYS ALA VAL PHE ASN PHE ALA THR MET 0.407143 0.775862
83 THR PHE LYS LYS THR ASN 0.406504 0.811321
84 ILE ASN PHE ASP PHE ASN THR ILE 0.406504 0.807692
85 ILE ILE SER ALA VAL VAL GLY ILE LEU 0.406504 0.875
86 VAL GLY ILE THR ASN VAL ASP LEU 0.40625 0.86
87 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.406015 0.792453
88 SER SER ILE GLU PHE ALA ARG LEU 0.405594 0.789474
89 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.405063 0.621212
90 SER GLU ILE GLU PHE ALA ARG LEU 0.404255 0.803571
91 ARG PHE PRO LEU THR PHE GLY TRP 0.403614 0.638889
92 ARG ABA VAL ILE PHE ALA ASN ILE 0.402878 0.767857
93 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.401575 0.854167
94 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.401361 0.745763
95 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.4 0.733333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OGA; Ligand: GLY ILE LEU GLY PHE VAL PHE THR LEU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1oga.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback