Receptor
PDB id Resolution Class Description Source Keywords
5JHD 2.46 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF LS10-TCR/M1-HLA-A*02 COMPLEX HOMO SAPIENS TCR-HLA*A2 M1 INFLUENZA MATRIX PROTEIN IMMUNE SYSTEM
Ref.: BROAD TCR REPERTOIRE AND DIVERSE STRUCTURAL SOLUTIO RECOGNITION OF AN IMMUNODOMINANT CD8(+) T CELL EPIT NAT. STRUCT. MOL. BIOL. V. 24 395 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDT J:301;
E:301;
Invalid;
Invalid;
none;
none;
submit data
292.243 C10 H16 N2 O8 C(CN(...
GLY ILE LEU GLY PHE VAL PHE THR LEU H:1;
C:1;
Valid;
Valid;
none;
none;
Kd = 37 nM
951.2 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JHD 2.46 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF LS10-TCR/M1-HLA-A*02 COMPLEX HOMO SAPIENS TCR-HLA*A2 M1 INFLUENZA MATRIX PROTEIN IMMUNE SYSTEM
Ref.: BROAD TCR REPERTOIRE AND DIVERSE STRUCTURAL SOLUTIO RECOGNITION OF AN IMMUNODOMINANT CD8(+) T CELL EPIT NAT. STRUCT. MOL. BIOL. V. 24 395 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 5JHD Kd = 37 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 2F53 - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
2 6BJ8 - VAL PRO LEU THR GLU ASP ALA GLU LEU n/a n/a
3 6BJ3 Kd = 17 uM ILE PRO LEU THR GLU GLU ALA GLU LEU n/a n/a
4 5JHD Kd = 37 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
5 5C09 - TYR LEU GLY GLY PRO ASP PHE PRO THR ILE n/a n/a
6 5C0A - MET VAL TRP GLY PRO ASP PRO LEU TYR VAL n/a n/a
7 5C08 - ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL n/a n/a
8 5C0B - ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 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 PHE VAL PHE THR LEU; Similar ligands found: 58
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY ILE LEU GLY PHE VAL PHE THR LEU 1 1
2 GLY ILE LEU GLY LEU VAL PHE THR LEU 0.768519 0.938776
3 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.615385 0.857143
4 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.6 0.94
5 SER LEU PHE ASN THR ILE ALA VAL LEU 0.546154 0.862745
6 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.530973 0.877551
7 ASP ASP MET GLY PHE GLY LEU PHE ASP 0.530973 0.877551
8 LEU VAL THR LEU VAL PHE VAL 0.526316 0.8125
9 PHE LEU THR GLY ILE GLY ILE ILE THR VAL 0.504065 0.9
10 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.503759 0.886792
11 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.496183 0.867925
12 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.481203 0.886792
13 ALA PHE THR SER 0.476636 0.795918
14 VAL GLY ILE THR ASN VAL ASP LEU 0.475806 0.807692
15 ALA LEU GLY ILE GLY ILE LEU THR VAL 0.465517 0.877551
16 LYS VAL ILE THR PHE ILE ASP LEU 0.458647 0.849057
17 ARG ILE PHE SER 0.45082 0.701754
18 LEU SER PRO ASP SER PHE LEU ASN ASP 0.448598 0.816327
19 PHE LEU SER THR LYS 0.447154 0.811321
20 ALA VAL GLY ILE GLY ALA VAL PHE LEU 0.447154 0.795918
21 ALA VAL GLY ILE GLY ALA VAL PHE 0.447154 0.795918
22 CYS VAL ASN GLY SER CYS PHE THR VAL 0.444444 0.830189
23 ALA GLU THR PHE TYR VAL ASP GLY 0.440678 0.784314
24 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.439716 0.814815
25 LYS ILE LEU GLY PRV VAL PHE PRQ VAL 0.43949 0.642857
26 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.438017 0.8
27 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.435374 0.721311
28 GLN VAL ASN PHE LEU GLY LYS 0.433824 0.777778
29 MSE ILE LEU GLY PRV VAL PHE PRQ VAL 0.433121 0.616438
30 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.428571 0.605263
31 TYR SER THR CYS TYR PHE ILE MET 0.426471 0.758621
32 GLU THR PHE TYR VAL ASP GLY 0.424242 0.851852
33 ASP SER GLY PHE SER PHE GLY SER LYS 0.422018 0.836735
34 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.421429 0.836364
35 LEU ALA GLY ILE GLY ILE LEU THR VAL 0.419355 0.84
36 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.41791 0.846154
37 GLY ARG PHE GLN VAL THR 0.416667 0.75
38 ALA ALA GLY ILE GLY ILE LEU THR VAL 0.414634 0.84
39 SER ILE ILE GLY PHE GLU LYS LEU 0.414286 0.849057
40 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.414062 0.836735
41 SER LEU PHE ASN THR VAL ALA THR LEU 0.411765 0.807692
42 GLU THR VAL ARG PHE GLN SER ASP 0.409722 0.741379
43 THR TYR PHE ALA VAL LEU MET VAL SER 0.409722 0.77193
44 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.409091 0.737705
45 ALA LEU ALA GLY ILE GLY ILE LEU THR VAL 0.408 0.84
46 FME TYR PHE ILE ASN ILE LEU THR LEU 0.406897 0.762712
47 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.405594 0.796296
48 GLU LEU ALA GLY ILE GLY ILE LEU THR VAL 0.40458 0.823529
49 LYS VAL LEU PHE LEU ASP GLY 0.40458 0.788462
50 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.404255 0.730159
51 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.40411 0.763636
52 ASP PHE M3L THR ASP 0.403101 0.68254
53 ARG GLN ALA ASN PHE LEU GLY LYS 0.403101 0.823529
54 GLY ASP GLU VAL LYS VAL PHE ARG 0.402778 0.677966
55 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.401639 0.84
56 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.401316 0.676923
57 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.401316 0.676923
58 TYR GLY GLY PHE LEU 0.4 0.830189
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JHD; 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: 5jhd.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5JHD; 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: 2) in the query (biounit: 5jhd.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
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