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;
Atoms found LESS than expected: % Diff = 0;
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 510 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 391 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 298 families.
1 5UWA - 8ND C37 H73 N O5 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8ND; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 8ND 1 1
2 TGL 0.745098 0.7
3 PEF 0.636364 0.730769
4 8PE 0.636364 0.730769
5 PTY 0.636364 0.730769
6 PEV 0.636364 0.730769
7 PEH 0.636364 0.730769
8 9PE 0.626866 0.730769
9 DGA 0.603448 0.707317
10 FAW 0.603448 0.707317
11 DDR 0.603448 0.707317
12 L2C 0.603448 0.707317
13 3PE 0.571429 0.755102
14 PC7 0.56338 0.614035
15 HGP 0.56338 0.614035
16 LIO 0.56338 0.614035
17 6PL 0.56338 0.614035
18 PLD 0.56338 0.614035
19 HGX 0.56338 0.614035
20 6OU 0.56 0.716981
21 L9Q 0.56 0.716981
22 LOP 0.56 0.716981
23 PEE 0.557143 0.716981
24 PC1 0.555556 0.62963
25 PCF 0.555556 0.62963
26 MC3 0.555556 0.62963
27 P5S 0.541667 0.648148
28 LBR 0.538462 0.651163
29 ZPE 0.525641 0.716981
30 XP5 0.513889 0.614035
31 GP7 0.506024 0.716981
32 PCW 0.5 0.603448
33 PEK 0.5 0.716981
34 2JT 0.5 0.627907
35 G2A 0.5 0.627907
36 POV 0.493827 0.618182
37 L9R 0.493827 0.618182
38 P50 0.47561 0.648148
39 GYM 0.466667 0.651163
40 1QW 0.466667 0.651163
41 PSC 0.45977 0.603448
42 PSF 0.445946 0.648148
43 T80 0.4375 0.65
44 PCJ 0.4375 0.734694
45 DLP 0.431818 0.618182
46 DAO FTT 0.424242 0.6
47 EPH 0.419355 0.716981
48 PDK 0.410526 0.633333
49 3PC 0.410256 0.611111
50 LP3 0.407895 0.62069
51 LPC 0.407895 0.62069
52 LAP 0.407895 0.62069
53 OLC 0.405797 0.636364
54 OLB 0.405797 0.636364
55 OCB 0.402985 0.66
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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