Receptor
PDB id Resolution Class Description Source Keywords
5T85 2.37 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF 10E8 FAB IN COMPLEX WITH THE MPER EPITO SCAFFOLD T117V2 AND PHOSPHATIDYLGLYCEROL (06:0 PG) HOMO SAPIENS HIV-1 GP41 MPER 10E8 FAB LIPID MEMBRANE IMMUNE SYSTEM
Ref.: LIPID INTERACTIONS AND ANGLE OF APPROACH TO THE HIV MEMBRANE OF BROADLY NEUTRALIZING ANTIBODY 10E8: INS VACCINE AND THERAPEUTIC DESIGN. PLOS PATHOG. V. 13 06212 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
44G L:301;
Valid;
Atoms found LESS than expected: % Diff = 0;
submit data
442.438 C18 H35 O10 P CCCCC...
PGE L:302;
G:201;
Invalid;
Invalid;
none;
none;
submit data
150.173 C6 H14 O4 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T85 2.37 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF 10E8 FAB IN COMPLEX WITH THE MPER EPITO SCAFFOLD T117V2 AND PHOSPHATIDYLGLYCEROL (06:0 PG) HOMO SAPIENS HIV-1 GP41 MPER 10E8 FAB LIPID MEMBRANE IMMUNE SYSTEM
Ref.: LIPID INTERACTIONS AND ANGLE OF APPROACH TO THE HIV MEMBRANE OF BROADLY NEUTRALIZING ANTIBODY 10E8: INS VACCINE AND THERAPEUTIC DESIGN. PLOS PATHOG. V. 13 06212 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 5T85 - 44G C18 H35 O10 P CCCCCC(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 5T85 - 44G C18 H35 O10 P CCCCCC(=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 5T85 - 44G C18 H35 O10 P CCCCCC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 44G; Similar ligands found: 99
No: Ligand ECFP6 Tc MDL keys Tc
1 44G 1 1
2 PGT 0.868852 1
3 LHG 0.868852 1
4 D3D 0.757143 0.977778
5 PGW 0.757143 0.977778
6 CD4 0.75 0.954545
7 PGV 0.746479 0.977778
8 DR9 0.746479 0.977778
9 PGK 0.736111 0.93617
10 P6L 0.736111 0.977778
11 OZ2 0.726027 0.977778
12 PSF 0.723077 0.843137
13 DGG 0.706667 0.93617
14 HXG 0.69697 0.701754
15 44E 0.683333 0.911111
16 CN3 0.666667 0.954545
17 CN6 0.638889 0.954545
18 PEH 0.637681 0.826923
19 PEF 0.637681 0.826923
20 PEV 0.637681 0.826923
21 8PE 0.637681 0.826923
22 PTY 0.637681 0.826923
23 P5S 0.633803 0.843137
24 PEE 0.628571 0.811321
25 9PE 0.628571 0.826923
26 XP5 0.628571 0.701754
27 HGX 0.611111 0.701754
28 PLD 0.611111 0.701754
29 HGP 0.611111 0.701754
30 PC7 0.611111 0.701754
31 PX4 0.611111 0.701754
32 6PL 0.611111 0.701754
33 LIO 0.611111 0.701754
34 PD7 0.609375 0.911111
35 PA8 0.590909 0.888889
36 3PH 0.590909 0.911111
37 F57 0.590909 0.911111
38 6PH 0.590909 0.911111
39 LPP 0.590909 0.911111
40 7PH 0.590909 0.911111
41 AGA 0.589041 0.955556
42 7P9 0.58209 0.911111
43 PX8 0.58209 0.888889
44 PX2 0.58209 0.888889
45 LOP 0.564103 0.811321
46 6OU 0.564103 0.811321
47 L9Q 0.564103 0.811321
48 P50 0.555556 0.807692
49 PII 0.552632 0.84
50 CDL 0.547945 0.866667
51 PCW 0.54321 0.689655
52 PIF 0.538462 0.823529
53 ZPE 0.530864 0.811321
54 PCK 0.53012 0.666667
55 P3A 0.52381 0.934783
56 M7U 0.52 0.911111
57 D21 0.52 0.891304
58 PIO 0.518519 0.823529
59 IP9 0.518519 0.803922
60 52N 0.518519 0.823529
61 TGL 0.516129 0.659091
62 PIZ 0.512195 0.803922
63 GP7 0.511628 0.811321
64 PEK 0.505882 0.811321
65 PSC 0.5 0.689655
66 B7N 0.494118 0.823529
67 1EM 0.484848 0.704545
68 DDR 0.484848 0.704545
69 DGA 0.484848 0.704545
70 FAW 0.484848 0.704545
71 L2C 0.484848 0.704545
72 3PE 0.474359 0.75
73 PDK 0.463158 0.716667
74 PCF 0.4625 0.660714
75 MC3 0.4625 0.660714
76 PC1 0.4625 0.660714
77 EPH 0.457447 0.811321
78 T7X 0.44086 0.823529
79 LBR 0.438356 0.652174
80 PIE 0.438202 0.769231
81 LPC 0.435897 0.736842
82 LAP 0.435897 0.736842
83 LP3 0.435897 0.736842
84 1QW 0.430769 0.727273
85 GYM 0.430769 0.727273
86 PGM 0.426667 0.933333
87 DB4 0.423077 0.764706
88 3PC 0.419753 0.642857
89 PBU 0.419753 0.764706
90 POV 0.41573 0.649123
91 L9R 0.41573 0.649123
92 S12 0.411765 0.807692
93 NKO 0.408451 0.911111
94 NKN 0.408451 0.911111
95 43Y 0.405405 0.666667
96 SQD 0.404494 0.640625
97 PIB 0.402439 0.764706
98 5P5 0.402439 0.764706
99 GSE 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5T85; Ligand: 44G; 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: 5t85.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback