Receptor
PDB id Resolution Class Description Source Keywords
1BWO 2.1 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF WHEAT NON-SPECIFIC TRANSFER PROTEIN COMPLEXED WITH TWO MOLECULES OF PHOSPHOLIPID AT 2 .1 A RESOLUTION TRITICUM AESTIVUM LIPID TRANSFER PROTEIN WHEAT LIPID BINDING CRYSTALLOGRAPHY
Ref.: THE CRYSTAL STRUCTURE OF A WHEAT NONSPECIFIC LIPID TRANSFER 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 COMPLEXED WITH TWO MOLECULES OF PHOSPHOLIPID AT 2 .1 A RESOLUTION TRITICUM AESTIVUM LIPID TRANSFER PROTEIN WHEAT LIPID BINDING CRYSTALLOGRAPHY
Ref.: THE CRYSTAL STRUCTURE OF A WHEAT NONSPECIFIC LIPID TRANSFER 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 1256 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 166 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 141 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: 74
No: Ligand ECFP6 Tc MDL keys Tc
1 LAP 1 1
2 LP3 1 1
3 LPC 1 1
4 42H 0.863636 0.982143
5 LIO 0.685714 0.963636
6 HGX 0.685714 0.963636
7 PC7 0.685714 0.963636
8 HGP 0.685714 0.963636
9 6PL 0.685714 0.963636
10 PLD 0.685714 0.963636
11 NKN 0.645161 0.732143
12 XP5 0.633803 0.963636
13 PCW 0.607595 0.946429
14 LPE 0.602941 0.945455
15 PCK 0.592593 0.913793
16 S12 0.584416 0.75
17 CD4 0.583333 0.763636
18 CN5 0.575342 0.781818
19 NKP 0.56338 0.719298
20 PSC 0.55814 0.946429
21 PGM 0.557143 0.719298
22 CN6 0.538462 0.763636
23 PEH 0.533333 0.827586
24 PEV 0.533333 0.827586
25 8PE 0.533333 0.827586
26 PEF 0.533333 0.827586
27 PTY 0.533333 0.827586
28 9PE 0.526316 0.827586
29 LHG 0.526316 0.736842
30 PGT 0.526316 0.736842
31 PCF 0.525641 0.890909
32 PC1 0.525641 0.890909
33 MC3 0.525641 0.890909
34 CN3 0.525 0.763636
35 PEE 0.506494 0.844828
36 OPC 0.494253 0.929825
37 SPU 0.487179 0.836066
38 CH5 0.483871 0.824561
39 PX2 0.479452 0.745455
40 3XU 0.477273 0.84127
41 LOP 0.47619 0.813559
42 L9Q 0.47619 0.813559
43 P5S 0.475 0.779661
44 CDL 0.474359 0.727273
45 L9R 0.471264 0.875
46 PGW 0.470588 0.724138
47 7PH 0.465753 0.732143
48 6PH 0.465753 0.732143
49 3PH 0.465753 0.732143
50 LPP 0.465753 0.732143
51 DR9 0.465116 0.724138
52 PGV 0.465116 0.724138
53 ZPE 0.465116 0.813559
54 PGK 0.45977 0.7
55 P6L 0.45977 0.724138
56 7P9 0.459459 0.732143
57 OZ2 0.454545 0.724138
58 PEK 0.444444 0.813559
59 3PC 0.444444 0.872727
60 DGG 0.444444 0.7
61 44G 0.435897 0.736842
62 GP7 0.434783 0.813559
63 PII 0.428571 0.66129
64 PD7 0.418919 0.732143
65 PIF 0.418605 0.650794
66 PIZ 0.41573 0.66129
67 DLP 0.414894 0.875
68 M7U 0.414634 0.732143
69 3PE 0.409639 0.758621
70 8ND 0.407895 0.62069
71 AGA 0.404762 0.736842
72 PIO 0.404494 0.650794
73 IP9 0.404494 0.66129
74 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: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1BWO; Ligand: LPC; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1BWO; Ligand: LPC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1bwo.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1BWO; Ligand: LPC; Similar sites found: 59
This union binding pocket(no: 4) in the query (biounit: 1bwo.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UCC ZKW 0.004743 0.45204 None
2 5HCN DAO 0.002577 0.45088 None
3 3MYZ TFX 0.0261 0.43996 None
4 1UO5 PIH 0.003723 0.4334 None
5 5AZC PGT 0.02299 0.42457 None
6 3KDU NKS 0.008091 0.42101 None
7 3KP6 SAL 0.02 0.41899 None
8 5A7Y SAH 0.01132 0.41356 None
9 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.01146 0.4133 None
10 1G27 BB1 0.004381 0.40891 None
11 5UGW GSH 0.01106 0.40442 None
12 3TL1 JRO 0.02177 0.40362 None
13 4RQL SNE 0.01992 0.40134 None
14 1L0I PSR 0.02932 0.40081 None
15 3E3U NVC 0.001224 0.44586 2.22222
16 3N7S 3N7 0.01487 0.4231 2.22222
17 3SVJ 4LI 0.004916 0.41049 2.22222
18 5JF2 SF7 0.005658 0.40413 2.22222
19 4MRP GSH 0.01912 0.4252 3.33333
20 1NF8 BOG 0.0161 0.42151 3.33333
21 3G5K BB2 0.005347 0.41249 3.33333
22 2Z9I GLY ALA THR VAL 0.02837 0.40868 3.33333
23 3TDC 0EU 0.001112 0.50068 4.44444
24 4UBS DIF 0.003991 0.43885 4.44444
25 3KYQ DPV 0.008968 0.42331 4.44444
26 1U6R IOM 0.0104 0.41985 4.44444
27 3B9Z CO2 0.03487 0.41935 4.44444
28 5EY0 GTP 0.007501 0.41791 4.44444
29 3CV2 COA 0.02085 0.4135 4.44444
30 1LQY BB2 0.005389 0.4086 4.44444
31 3WCA FPS 0.01439 0.40031 4.44444
32 5OCA 9QZ 0.00409 0.46735 5.55556
33 3B6R CRN 0.002582 0.44355 5.55556
34 1J78 OLA 0.001937 0.42979 5.55556
35 4CLO XP0 0.02952 0.40066 5.55556
36 4ZGM 32M 0.007371 0.44008 6.66667
37 4UMJ BFQ 0.01099 0.41703 6.66667
38 1XZ3 ICF 0.009841 0.41671 7.77778
39 4DR9 BB2 0.006711 0.40805 7.77778
40 3SQP 3J8 0.02263 0.40788 7.77778
41 1OW4 2AN 0.01152 0.40486 7.77778
42 2OKL BB2 0.007755 0.40164 7.77778
43 3G08 FEE 0.0136 0.42256 8.88889
44 3W54 RNB 0.009687 0.40454 8.88889
45 1XMY ROL 0.004723 0.43239 10
46 3ZPG 5GP 0.005977 0.4181 10
47 1XM4 PIL 0.006566 0.41639 10
48 2V5E SCR 0.04014 0.40241 10
49 1XMU ROF 0.01082 0.40232 10
50 1JGS SAL 0.001636 0.4513 11.1111
51 3G58 988 0.007411 0.41817 12.2222
52 5CHR 4NC 0.009606 0.42432 15.5556
53 4EIL FOL 0.006623 0.40466 15.5556
54 4YSX E23 0.02299 0.4024 15.5556
55 1I0B PEL 0.02336 0.40238 15.5556
56 2Q8H TF4 0.03571 0.40147 15.5556
57 1S17 GNR 0.00374 0.41186 16.6667
58 4ZOM 4Q3 0.03973 0.40945 16.6667
59 2Y69 CHD 0.01512 0.4157 18.75
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