Receptor
PDB id Resolution Class Description Source Keywords
5UWA 1.5 Å NON-ENZYME: BINDING STRUCTURE OF E. COLI PHOSPHOLIPID BINDING PROTEIN MLAC ESCHERICHIA COLI (STRAIN K12) PHOSPHOLIPID-BINDING PROTEIN BACTERIAL LIPID TRANSPORT TRAPROTEIN
Ref.: ARCHITECTURES OF LIPID TRANSPORT SYSTEMS FOR THE BA OUTER MEMBRANE. CELL V. 169 273 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8ND A:301;
B:301;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.07;
Atoms found LESS than expected: % Diff = 0.07;
submit data
611.979 C37 H73 N O5 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5UWA 1.5 Å NON-ENZYME: BINDING STRUCTURE OF E. COLI PHOSPHOLIPID BINDING PROTEIN MLAC ESCHERICHIA COLI (STRAIN K12) PHOSPHOLIPID-BINDING PROTEIN BACTERIAL LIPID TRANSPORT TRAPROTEIN
Ref.: ARCHITECTURES OF LIPID TRANSPORT SYSTEMS FOR THE BA OUTER MEMBRANE. CELL V. 169 273 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 5UWA - 8ND C37 H73 N O5 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 5UWA - 8ND C37 H73 N O5 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5UWA - 8ND C37 H73 N O5 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 8ND; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 8ND 1 1
2 TGL 0.745098 0.7
3 PEV 0.636364 0.730769
4 PEH 0.636364 0.730769
5 PEF 0.636364 0.730769
6 PTY 0.636364 0.730769
7 8PE 0.636364 0.730769
8 3PE 0.636364 0.730769
9 9PE 0.626866 0.730769
10 L2C 0.603448 0.707317
11 1EM 0.603448 0.707317
12 FAW 0.603448 0.707317
13 DGA 0.603448 0.707317
14 DDR 0.603448 0.707317
15 PC7 0.56338 0.614035
16 HGP 0.56338 0.614035
17 HGX 0.56338 0.614035
18 PLD 0.56338 0.614035
19 LIO 0.56338 0.614035
20 6PL 0.56338 0.614035
21 PX4 0.56338 0.614035
22 6OU 0.56 0.716981
23 L9Q 0.56 0.716981
24 LOP 0.56 0.716981
25 PEE 0.557143 0.716981
26 PC1 0.555556 0.62963
27 MC3 0.555556 0.62963
28 PCF 0.555556 0.62963
29 RXY 0.552632 0.716981
30 P5S 0.541667 0.648148
31 LBR 0.538462 0.651163
32 8SP 0.527778 0.648148
33 ZPE 0.525641 0.716981
34 XP5 0.513889 0.614035
35 GP7 0.506024 0.716981
36 PCW 0.5 0.603448
37 PEK 0.5 0.716981
38 2JT 0.5 0.627907
39 G2A 0.5 0.627907
40 POV 0.493827 0.618182
41 L9R 0.493827 0.618182
42 LBN 0.493827 0.618182
43 P50 0.47561 0.648148
44 EKG 0.466667 0.651163
45 GYM 0.466667 0.651163
46 1QW 0.466667 0.651163
47 HXG 0.465753 0.614035
48 LPX 0.464789 0.711538
49 PSC 0.45977 0.603448
50 BQ9 0.447368 0.690476
51 PSF 0.445946 0.648148
52 PCJ 0.4375 0.734694
53 T80 0.4375 0.65
54 DLP 0.431818 0.618182
55 DAO FTT 0.424242 0.6
56 EPH 0.419355 0.716981
57 NTK 0.410714 0.625
58 PDK 0.410526 0.633333
59 3PC 0.410256 0.611111
60 LPC 0.407895 0.62069
61 K6G 0.407895 0.62069
62 LAP 0.407895 0.62069
63 LP3 0.407895 0.62069
64 OLC 0.405797 0.636364
65 OLB 0.405797 0.636364
66 OCB 0.402985 0.66
67 O18 0.4 0.731707
Similar Ligands (3D)
Ligand no: 1; Ligand: 8ND; 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 : 5UWA; Ligand: 8ND; 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: 5uwa.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5UWA; Ligand: 8ND; 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: 5uwa.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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