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 1443 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 175 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 (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 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....
17 5TVI - O8N C28 H58 O CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LPC; Similar ligands found: 83
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 PLD 0.685714 0.963636
6 6PL 0.685714 0.963636
7 LIO 0.685714 0.963636
8 HGP 0.685714 0.963636
9 HGX 0.685714 0.963636
10 PC7 0.685714 0.963636
11 NKN 0.645161 0.732143
12 NKO 0.645161 0.732143
13 XP5 0.633803 0.963636
14 PCW 0.607595 0.946429
15 LPE 0.602941 0.945455
16 PCK 0.592593 0.913793
17 S12 0.584416 0.75
18 CD4 0.583333 0.763636
19 CN5 0.575342 0.781818
20 NKP 0.56338 0.719298
21 PSC 0.55814 0.946429
22 PGM 0.557143 0.719298
23 CN6 0.538462 0.763636
24 8PE 0.533333 0.827586
25 PEF 0.533333 0.827586
26 PTY 0.533333 0.827586
27 PEV 0.533333 0.827586
28 PEH 0.533333 0.827586
29 9PE 0.526316 0.827586
30 PGT 0.526316 0.736842
31 LHG 0.526316 0.736842
32 PCF 0.525641 0.890909
33 PC1 0.525641 0.890909
34 MC3 0.525641 0.890909
35 CN3 0.525 0.763636
36 PEE 0.506494 0.844828
37 OPC 0.494253 0.929825
38 SPU 0.487179 0.836066
39 CH5 0.483871 0.824561
40 PX2 0.479452 0.745455
41 PX8 0.479452 0.745455
42 3XU 0.477273 0.84127
43 6OU 0.47619 0.813559
44 LOP 0.47619 0.813559
45 L9Q 0.47619 0.813559
46 P5S 0.475 0.779661
47 CDL 0.474359 0.727273
48 POV 0.471264 0.875
49 L9R 0.471264 0.875
50 D3D 0.470588 0.724138
51 PGW 0.470588 0.724138
52 LPP 0.465753 0.732143
53 F57 0.465753 0.732143
54 6PH 0.465753 0.732143
55 3PH 0.465753 0.732143
56 7PH 0.465753 0.732143
57 ZPE 0.465116 0.813559
58 PGV 0.465116 0.724138
59 DR9 0.465116 0.724138
60 PGK 0.45977 0.7
61 P6L 0.45977 0.724138
62 7P9 0.459459 0.732143
63 OZ2 0.454545 0.724138
64 PEK 0.444444 0.813559
65 3PC 0.444444 0.872727
66 DGG 0.444444 0.7
67 44G 0.435897 0.736842
68 GP7 0.434783 0.813559
69 43Y 0.432432 0.927273
70 PII 0.428571 0.66129
71 PD7 0.418919 0.732143
72 PIF 0.418605 0.650794
73 PIZ 0.41573 0.66129
74 DLP 0.414894 0.875
75 D21 0.414634 0.719298
76 M7U 0.414634 0.732143
77 3PE 0.409639 0.758621
78 8ND 0.407895 0.62069
79 P50 0.406593 0.779661
80 AGA 0.404762 0.736842
81 IP9 0.404494 0.66129
82 PIO 0.404494 0.650794
83 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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