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 = 0.345;
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 225 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 (2D)
Ligand no: 1; Ligand: 44G; Similar ligands found: 107
No: Ligand ECFP6 Tc MDL keys Tc
1 44G 1 1
2 LHG 0.868852 1
3 PGT 0.868852 1
4 PGW 0.757143 0.977778
5 D3D 0.757143 0.977778
6 CD4 0.75 0.954545
7 DR9 0.746479 0.977778
8 PGV 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 8SP 0.642857 0.843137
18 CN6 0.638889 0.954545
19 PEH 0.637681 0.826923
20 PTY 0.637681 0.826923
21 3PE 0.637681 0.826923
22 PEF 0.637681 0.826923
23 8PE 0.637681 0.826923
24 PEV 0.637681 0.826923
25 P5S 0.633803 0.843137
26 XP5 0.628571 0.701754
27 PG8 0.628571 0.955556
28 PEE 0.628571 0.811321
29 9PE 0.628571 0.826923
30 PC7 0.611111 0.701754
31 PLD 0.611111 0.701754
32 LIO 0.611111 0.701754
33 PX4 0.611111 0.701754
34 HGX 0.611111 0.701754
35 6PL 0.611111 0.701754
36 HGP 0.611111 0.701754
37 PD7 0.609375 0.911111
38 7PH 0.590909 0.911111
39 3PH 0.590909 0.911111
40 LPP 0.590909 0.911111
41 6PH 0.590909 0.911111
42 PA8 0.590909 0.888889
43 F57 0.590909 0.911111
44 AGA 0.589041 0.955556
45 PX2 0.58209 0.888889
46 PX8 0.58209 0.888889
47 7P9 0.58209 0.911111
48 L9Q 0.564103 0.811321
49 6OU 0.564103 0.811321
50 LOP 0.564103 0.811321
51 RXY 0.556962 0.811321
52 P50 0.555556 0.807692
53 PII 0.552632 0.84
54 CDL 0.547945 0.866667
55 PCW 0.54321 0.689655
56 PIF 0.538462 0.823529
57 ZPE 0.530864 0.811321
58 PCK 0.53012 0.666667
59 P3A 0.52381 0.934783
60 M7U 0.52 0.911111
61 D21 0.52 0.891304
62 IP9 0.518519 0.803922
63 PIO 0.518519 0.823529
64 52N 0.518519 0.823529
65 TGL 0.516129 0.659091
66 PIZ 0.512195 0.803922
67 GP7 0.511628 0.811321
68 PEK 0.505882 0.811321
69 PSC 0.5 0.689655
70 B7N 0.494118 0.823529
71 DGA 0.484848 0.704545
72 1EM 0.484848 0.704545
73 FAW 0.484848 0.704545
74 L2C 0.484848 0.704545
75 DDR 0.484848 0.704545
76 PDK 0.463158 0.716667
77 PCF 0.4625 0.660714
78 PC1 0.4625 0.660714
79 MC3 0.4625 0.660714
80 EPH 0.457447 0.811321
81 LPX 0.453333 0.807692
82 T7X 0.44086 0.823529
83 LBR 0.438356 0.652174
84 PIE 0.438202 0.769231
85 K6G 0.435897 0.736842
86 LAP 0.435897 0.736842
87 LPC 0.435897 0.736842
88 LP3 0.435897 0.736842
89 1QW 0.430769 0.727273
90 GYM 0.430769 0.727273
91 EKG 0.430769 0.727273
92 PGM 0.426667 0.933333
93 I35 0.423077 0.745098
94 DB4 0.423077 0.764706
95 3PC 0.419753 0.642857
96 PBU 0.419753 0.764706
97 LBN 0.41573 0.649123
98 POV 0.41573 0.649123
99 L9R 0.41573 0.649123
100 S12 0.411765 0.807692
101 NKN 0.408451 0.911111
102 NKO 0.408451 0.911111
103 43Y 0.405405 0.666667
104 SQD 0.404494 0.640625
105 5P5 0.402439 0.764706
106 PIB 0.402439 0.764706
107 GSE 0.4 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: 44G; Similar ligands found: 0
No: Ligand Similarity coefficient
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