-->
Receptor
PDB id Resolution Class Description Source Keywords
5YZC 2.33 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE PREFUSION FORM OF MEASLES VIRUS FUS PROTEIN IN COMPLEX WITH A FUSION INHIBITOR COMPOUND (AS-48) MEASLES VIRUS (STRAIN ICHINOSE-B95A) GLYCOPROTEIN VIRAL PROTEIN FUSION PROTEIN PARAMYXOVIRUS INHIBITOR CHEMICAL COMPOUND
Ref.: STRUCTURES OF THE PREFUSION FORM OF MEASLES VIRUS F PROTEIN IN COMPLEX WITH INHIBITORS. PROC. NATL. ACAD. SCI. V. 115 2496 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
95C B:601;
Valid;
none;
submit data
299.281 C15 H13 N3 O4 c1ccc...
NAG NAG A:201;
Invalid;
none;
submit data
408.404 n/a O=C(N...
NAG A:203;
Valid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5YZC 2.33 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE PREFUSION FORM OF MEASLES VIRUS FUS PROTEIN IN COMPLEX WITH A FUSION INHIBITOR COMPOUND (AS-48) MEASLES VIRUS (STRAIN ICHINOSE-B95A) GLYCOPROTEIN VIRAL PROTEIN FUSION PROTEIN PARAMYXOVIRUS INHIBITOR CHEMICAL COMPOUND
Ref.: STRUCTURES OF THE PREFUSION FORM OF MEASLES VIRUS F PROTEIN IN COMPLEX WITH INHIBITORS. PROC. NATL. ACAD. SCI. V. 115 2496 2018 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5YZC - NAG C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5YZC - NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5YZC - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 95C; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 95C 1 1
Ligand no: 2; Ligand: NAG; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA 1 1
2 NAG 1 1
3 A2G 1 1
4 BM3 1 1
5 HSQ 1 1
6 NDG 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 STZ 0.612245 0.65
11 4QY 0.591837 0.735849
12 BMX 0.591837 0.735849
13 16G 0.591837 0.735849
14 9C1 0.58 0.886364
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NDG NAG 0.54386 0.833333
18 CBS 0.54386 0.833333
19 NAG GDL 0.54386 0.833333
20 CBS CBS 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 MAG 0.530612 0.909091
24 2F8 0.530612 0.909091
25 NDG GAL 0.517857 0.888889
26 NLC 0.517857 0.888889
27 GAL NDG 0.517857 0.888889
28 NAG A2G 0.517241 0.833333
29 4V5 0.517241 0.829787
30 NAG NGA 0.517241 0.833333
31 4UZ 0.508475 0.808511
32 NAG NAG NAG NAG NDG 0.508197 0.816327
33 NDG NAG NAG NAG 0.508197 0.816327
34 NAG NAG NDG 0.508197 0.816327
35 NAG NAG NDG NAG 0.508197 0.816327
36 CTO 0.508197 0.816327
37 NDG NAG NAG NDG 0.508197 0.816327
38 NAG NAG NAG NDG 0.508197 0.816327
39 NDG NAG NAG 0.508197 0.816327
40 NAG NAG NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 MQG 0.5 0.698113
44 NBG 0.5 0.951219
45 GAL NGA 0.491228 0.888889
46 A2G GAL 0.491228 0.888889
47 GAL A2G 0.491228 0.888889
48 AMU 0.490909 0.930233
49 NG1 0.490566 0.754717
50 GN1 0.490566 0.754717
51 NAG GAL 0.474576 0.888889
52 GAL NAG 0.474576 0.888889
53 NAG FUC 0.474576 0.866667
54 NAG GAL NAG 0.455882 0.833333
55 3YW 0.448276 0.930233
56 GLA GAL NAG 0.446154 0.888889
57 MAN BMA NAG 0.446154 0.888889
58 NGA GAL 0.428571 0.869565
59 FUC GAL NAG 0.426471 0.869565
60 GAL NAG FUC 0.426471 0.869565
61 DR2 0.426471 0.869565
62 NAG GAL FUC 0.426471 0.869565
63 NDG GAL FUC 0.426471 0.869565
64 FUC GAL NDG 0.426471 0.869565
65 FUL GAL NAG 0.426471 0.869565
66 G6S NAG 0.426471 0.645161
67 TNR 0.42623 0.833333
68 GYU 0.42623 0.740741
69 GAL NGA A2G 0.424242 0.833333
70 NAG BDP 0.421875 0.851064
71 NAG MBG 0.419355 0.851064
72 NGA GAL BGC 0.41791 0.888889
73 NAG NDG 0.415385 0.784314
74 NAG NAG 0.415385 0.784314
75 AZC 0.415094 0.795918
76 SN5 SN5 0.412698 0.705882
77 A2G MBG 0.412698 0.851064
78 MBG A2G 0.412698 0.851064
79 HS2 0.411765 0.8125
80 5AX 0.411765 0.866667
81 NAG MAN BMA 0.411765 0.888889
82 6ZC 0.409091 0.655738
83 LEC 0.409091 0.655738
84 TCG 0.408451 0.689655
85 GAL BGC NAG GAL 0.408451 0.888889
86 NAG MAN 0.40625 0.851064
87 WOO 0.404762 0.7
88 MAN 0.404762 0.7
89 GAL 0.404762 0.7
90 BGC 0.404762 0.7
91 BMA 0.404762 0.7
92 GLA 0.404762 0.7
93 ALL 0.404762 0.7
94 GLC 0.404762 0.7
95 GXL 0.404762 0.7
96 GIV 0.404762 0.7
97 NAG AMU 0.402778 0.8
98 NAG MUB 0.402778 0.8
99 NAG A2G GAL 0.402778 0.833333
100 A2G GAL FUC 0.4 0.869565
101 FUC GLA A2G 0.4 0.869565
102 DR3 0.4 0.869565
103 A2G GLA FUC 0.4 0.869565
104 NGA GAL FUC 0.4 0.869565
105 FUC GAL A2G 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5YZC; Ligand: 95C; Similar sites found with APoc: 58
This union binding pocket(no: 1) in the query (biounit: 5yzc.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2I0G I0G 1.55642
2 5UR6 8KM 1.65746
3 2H7C COA 1.67064
4 4I67 G G G RPC 2.29885
5 2AX9 BHM 2.73438
6 4EIL FOL 2.86396
7 2P1C GG3 3.07692
8 4OIV XX9 3.09735
9 4OAS 2SW 3.125
10 5UC1 486 3.15315
11 5AZC PGT 3.33333
12 3KDU NKS 3.61011
13 2QE4 JJ3 4.25532
14 3B9Z CO2 4.25532
15 5AAV GW5 4.25532
16 2BJ4 OHT 4.7619
17 1M26 GAL A2G 5.26316
18 5F1R 42O 5.31915
19 2E2R 2OH 6.38298
20 5C1M OLC 6.4
21 5W7B MYR 7.44681
22 6BMS POV 7.44681
23 4IA6 EIC 7.8759
24 5WL1 D3D 8.08081
25 5WL1 CUY 8.08081
26 1NU4 MLA 8.24742
27 5EW9 5VC 8.51064
28 1FM9 570 8.51064
29 2P4Y C03 8.51064
30 3FUR Z12 8.51064
31 4FDV 0UK 9.09091
32 1NHZ 486 9.64286
33 5LX9 OLB 10.9155
34 3SCM LGN 11.1111
35 1H9G COA MYR 11.5226
36 3LN0 52B 11.7021
37 5LWY OLB 11.7647
38 1NF8 BOG 12.0773
39 3KV8 FAH 12.766
40 5IBE 69M 12.766
41 3KP6 SAL 13.8298
42 4LPG 1MV 14.8936
43 1RDT 570 17.3913
44 2NNQ T4B 17.5573
45 5W97 CHD 17.8082
46 5ZCO CHD 17.8082
47 5Z84 CHD 17.8082
48 5B4B LP5 18.0851
49 5IXK 6EW 18.0851
50 3W54 RNB 18.0851
51 4OGQ SQD 18.9189
52 4OGQ 2WD 18.9189
53 5NTP 98E 19.1489
54 3TDC 0EU 19.1489
55 2Y69 CHD 20.6349
56 1ZED PNP 22.3404
57 1T8U UAP SGN IDS SGN 24.4681
58 6CGN DA 26.5957
Pocket No.: 2; Query (leader) PDB : 5YZC; Ligand: 95C; 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: 5yzc.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5YZC; Ligand: 95C; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5yzc.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5YZC; Ligand: NAG; Similar sites found with APoc: 31
This union binding pocket(no: 4) in the query (biounit: 5yzc.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 2H7C SIA 1.67064
2 4HAQ CTR 3.57995
3 2RFZ CTR 4.05728
4 5MBX FAD 5.01193
5 5MBX SP5 5.01193
6 5F3I 5UJ 5.31915
7 3H8C NSZ 5.31915
8 4UXU MLK 5.50459
9 1DJ9 KAM 6.38298
10 1WD4 AHR 6.38298
11 5CJ3 52G 7.40741
12 5I60 67W 7.44681
13 1RPN NDP 7.44681
14 4ZAC 4LU 8.11456
15 4JF5 FLC 9.57447
16 1U1F 183 10.6383
17 5UGH 8AJ 11.7021
18 2BNF UTP 12.0332
19 3ML1 MGD 12.5926
20 2E0N SAH 14.6718
21 2XCG XCG 14.8936
22 6GEH FAD 17.0213
23 5ZCO TGL 17.8082
24 5Z84 TGL 17.8082
25 1MUU SUC 18.0851
26 2BNE U5P 18.0851
27 2V3V MGD 20.2128
28 2QPU QPS 28.7234
29 2QPU QPU 28.7234
30 1BHX ASP PHE GLU GLU ILE 30
31 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 33.3333
Pocket No.: 5; Query (leader) PDB : 5YZC; Ligand: NAG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5yzc.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5YZC; Ligand: NAG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5yzc.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback