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...
View in 3D viewer
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 1610 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 197 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 165 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 (2D)
Ligand no: 1; Ligand: LPC; Similar ligands found: 93
No: Ligand ECFP6 Tc MDL keys Tc
1 LAP 1 1
2 K6G 1 1
3 LPC 1 1
4 LP3 1 1
5 42H 0.863636 0.982143
6 LPX 0.790323 0.810345
7 HGP 0.685714 0.963636
8 6PL 0.685714 0.963636
9 HGX 0.685714 0.963636
10 LIO 0.685714 0.963636
11 PC7 0.685714 0.963636
12 PX4 0.685714 0.963636
13 PLD 0.685714 0.963636
14 NKO 0.645161 0.732143
15 NKN 0.645161 0.732143
16 XP5 0.633803 0.963636
17 PCW 0.607595 0.946429
18 LPE 0.602941 0.945455
19 PCK 0.592593 0.913793
20 S12 0.584416 0.75
21 CD4 0.583333 0.763636
22 HXG 0.583333 0.963636
23 CN5 0.575342 0.781818
24 NKP 0.56338 0.719298
25 PSC 0.55814 0.946429
26 PGM 0.557143 0.719298
27 CN6 0.538462 0.763636
28 PEF 0.533333 0.827586
29 PTY 0.533333 0.827586
30 3PE 0.533333 0.827586
31 PEV 0.533333 0.827586
32 PEH 0.533333 0.827586
33 8PE 0.533333 0.827586
34 LHG 0.526316 0.736842
35 9PE 0.526316 0.827586
36 PGT 0.526316 0.736842
37 PCF 0.525641 0.890909
38 PC1 0.525641 0.890909
39 MC3 0.525641 0.890909
40 CN3 0.525 0.763636
41 PQJ 0.507937 0.854545
42 PEE 0.506494 0.844828
43 OPC 0.494253 0.929825
44 SPU 0.487179 0.836066
45 CH5 0.483871 0.824561
46 PX8 0.479452 0.745455
47 PX2 0.479452 0.745455
48 3XU 0.477273 0.84127
49 6OU 0.47619 0.813559
50 LOP 0.47619 0.813559
51 L9Q 0.47619 0.813559
52 P5S 0.475 0.779661
53 CDL 0.474359 0.727273
54 POV 0.471264 0.875
55 LBN 0.471264 0.875
56 L9R 0.471264 0.875
57 PGW 0.470588 0.724138
58 RXY 0.470588 0.813559
59 D3D 0.470588 0.724138
60 6PH 0.465753 0.732143
61 LPP 0.465753 0.732143
62 F57 0.465753 0.732143
63 PA8 0.465753 0.745455
64 7PH 0.465753 0.732143
65 3PH 0.465753 0.732143
66 DR9 0.465116 0.724138
67 ZPE 0.465116 0.813559
68 PGV 0.465116 0.724138
69 8SP 0.4625 0.779661
70 PGK 0.45977 0.7
71 P6L 0.45977 0.724138
72 7P9 0.459459 0.732143
73 OZ2 0.454545 0.724138
74 3PC 0.444444 0.872727
75 PEK 0.444444 0.813559
76 DGG 0.444444 0.7
77 44G 0.435897 0.736842
78 GP7 0.434783 0.813559
79 43Y 0.432432 0.927273
80 PG8 0.432099 0.736842
81 PII 0.428571 0.66129
82 PD7 0.418919 0.732143
83 PIF 0.418605 0.650794
84 PIZ 0.41573 0.66129
85 DLP 0.414894 0.875
86 M7U 0.414634 0.732143
87 D21 0.414634 0.719298
88 8ND 0.407895 0.62069
89 P50 0.406593 0.779661
90 AGA 0.404762 0.736842
91 IP9 0.404494 0.66129
92 52N 0.404494 0.650794
93 PIO 0.404494 0.650794
Similar Ligands (3D)
Ligand no: 1; Ligand: LPC; 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 : 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
APoc FAQ
Feedback