Receptor
PDB id Resolution Class Description Source Keywords
1BWO 2.1 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF WHEAT NON-SPECIFIC TRANSFER PROTEIN WITH TWO MOLECULES OF PHOSPHOLIPID AT 2.1 A RESOLUTION TRITICUM AESTIVUM LIPID TRANSFER PROTEIN WHEAT LIPID BINDING
Ref.: THE CRYSTAL STRUCTURE OF A WHEAT NONSPECIFIC LIPID PROTEIN (NS-LTP1) COMPLEXED WITH TWO MOLECULES OF PHOSPHOLIPID AT 2.1 A RESOLUTION. EUR.J.BIOCHEM. V. 264 562 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LPC A:91;
A:92;
B:91;
B:92;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
468.585 C22 H47 N O7 P CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1BWO 2.1 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF WHEAT NON-SPECIFIC TRANSFER PROTEIN WITH TWO MOLECULES OF PHOSPHOLIPID AT 2.1 A RESOLUTION TRITICUM AESTIVUM LIPID TRANSFER PROTEIN WHEAT LIPID BINDING
Ref.: THE CRYSTAL STRUCTURE OF A WHEAT NONSPECIFIC LIPID PROTEIN (NS-LTP1) COMPLEXED WITH TWO MOLECULES OF PHOSPHOLIPID AT 2.1 A RESOLUTION. EUR.J.BIOCHEM. V. 264 562 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 1BWO - LPC C22 H47 N O7 P CCCCCCCCCC....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 186 families.
1 2B5S - HP6 C7 H16 CCCCCCC
2 2ALG - HP6 C7 H16 CCCCCCC
3 1UVB - PAM C16 H30 O2 CCCCCCC=C/....
4 1UVA - MYR C14 H28 O2 CCCCCCCCCC....
5 1UVC - STE C18 H36 O2 CCCCCCCCCC....
6 1FK1 - DAO C12 H24 O2 CCCCCCCCCC....
7 1FK2 - MYR C14 H28 O2 CCCCCCCCCC....
8 1FK3 - PAM C16 H30 O2 CCCCCCC=C/....
9 1MZM - PLM C16 H32 O2 CCCCCCCCCC....
10 1FK4 - STE C18 H36 O2 CCCCCCCCCC....
11 1FK0 - DKA C10 H20 O2 CCCCCCCCCC....
12 1FK7 - RCL C18 H34 O3 CCCCCC[C@H....
13 1FK5 - OLA C18 H34 O2 CCCCCCCCC=....
14 1FK6 - LNL C18 H30 O2 CCC=CCC=CC....
15 1BWO - LPC C22 H47 N O7 P CCCCCCCCCC....
16 1MID - LAP C20 H43 N O7 P CCCCCCCCCC....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 157 families.
1 2B5S - HP6 C7 H16 CCCCCCC
2 2ALG - HP6 C7 H16 CCCCCCC
3 1UVB - PAM C16 H30 O2 CCCCCCC=C/....
4 1UVA - MYR C14 H28 O2 CCCCCCCCCC....
5 1UVC - STE C18 H36 O2 CCCCCCCCCC....
6 1FK1 - DAO C12 H24 O2 CCCCCCCCCC....
7 1FK2 - MYR C14 H28 O2 CCCCCCCCCC....
8 1FK3 - PAM C16 H30 O2 CCCCCCC=C/....
9 1MZM - PLM C16 H32 O2 CCCCCCCCCC....
10 1FK4 - STE C18 H36 O2 CCCCCCCCCC....
11 1FK0 - DKA C10 H20 O2 CCCCCCCCCC....
12 1FK7 - RCL C18 H34 O3 CCCCCC[C@H....
13 1FK5 - OLA C18 H34 O2 CCCCCCCCC=....
14 1FK6 - LNL C18 H30 O2 CCC=CCC=CC....
15 6IWP - MYR C14 H28 O2 CCCCCCCCCC....
16 5TVI - O8N C28 H58 O CCCCCCCCCC....
17 6IWN - MYR C14 H28 O2 CCCCCCCCCC....
18 6IWO - MYR C14 H28 O2 CCCCCCCCCC....
19 1BWO - LPC C22 H47 N O7 P CCCCCCCCCC....
20 1MID - LAP C20 H43 N O7 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LPC; Similar ligands found: 86
No: Ligand ECFP6 Tc MDL keys Tc
1 LAP 1 1
2 LPC 1 1
3 LP3 1 1
4 42H 0.863636 0.982143
5 6PL 0.685714 0.963636
6 HGX 0.685714 0.963636
7 HGP 0.685714 0.963636
8 LIO 0.685714 0.963636
9 PC7 0.685714 0.963636
10 PX4 0.685714 0.963636
11 PLD 0.685714 0.963636
12 NKO 0.645161 0.732143
13 NKN 0.645161 0.732143
14 XP5 0.633803 0.963636
15 PCW 0.607595 0.946429
16 LPE 0.602941 0.945455
17 PCK 0.592593 0.913793
18 S12 0.584416 0.75
19 HXG 0.583333 0.963636
20 CD4 0.583333 0.763636
21 CN5 0.575342 0.781818
22 NKP 0.56338 0.719298
23 PSC 0.55814 0.946429
24 PGM 0.557143 0.719298
25 CN6 0.538462 0.763636
26 PTY 0.533333 0.827586
27 PEF 0.533333 0.827586
28 PEV 0.533333 0.827586
29 8PE 0.533333 0.827586
30 PEH 0.533333 0.827586
31 PGT 0.526316 0.736842
32 9PE 0.526316 0.827586
33 LHG 0.526316 0.736842
34 PCF 0.525641 0.890909
35 MC3 0.525641 0.890909
36 PC1 0.525641 0.890909
37 CN3 0.525 0.763636
38 PEE 0.506494 0.844828
39 OPC 0.494253 0.929825
40 SPU 0.487179 0.836066
41 CH5 0.483871 0.824561
42 PX8 0.479452 0.745455
43 PX2 0.479452 0.745455
44 3XU 0.477273 0.84127
45 6OU 0.47619 0.813559
46 LOP 0.47619 0.813559
47 L9Q 0.47619 0.813559
48 P5S 0.475 0.779661
49 CDL 0.474359 0.727273
50 L9R 0.471264 0.875
51 POV 0.471264 0.875
52 PGW 0.470588 0.724138
53 D3D 0.470588 0.724138
54 F57 0.465753 0.732143
55 7PH 0.465753 0.732143
56 LPP 0.465753 0.732143
57 6PH 0.465753 0.732143
58 3PH 0.465753 0.732143
59 PA8 0.465753 0.745455
60 DR9 0.465116 0.724138
61 ZPE 0.465116 0.813559
62 PGV 0.465116 0.724138
63 PGK 0.45977 0.7
64 P6L 0.45977 0.724138
65 7P9 0.459459 0.732143
66 OZ2 0.454545 0.724138
67 PEK 0.444444 0.813559
68 3PC 0.444444 0.872727
69 DGG 0.444444 0.7
70 44G 0.435897 0.736842
71 GP7 0.434783 0.813559
72 43Y 0.432432 0.927273
73 PII 0.428571 0.66129
74 PD7 0.418919 0.732143
75 PIF 0.418605 0.650794
76 PIZ 0.41573 0.66129
77 DLP 0.414894 0.875
78 D21 0.414634 0.719298
79 M7U 0.414634 0.732143
80 3PE 0.409639 0.758621
81 8ND 0.407895 0.62069
82 P50 0.406593 0.779661
83 AGA 0.404762 0.736842
84 PIO 0.404494 0.650794
85 IP9 0.404494 0.66129
86 52N 0.404494 0.650794
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1BWO; Ligand: LPC; 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: 1bwo.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1BWO; Ligand: LPC; 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: 1bwo.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1BWO; Ligand: LPC; 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: 1bwo.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1BWO; Ligand: LPC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1bwo.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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