Receptor
PDB id Resolution Class Description Source Keywords
1MID 1.71 Å NON-ENZYME: BINDING NON-SPECIFIC LIPID TRANSFER PROTEIN 1 FROM BARLEY IN COMPLEX WITH L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUDOYL HORDEUM VULGARE LIPID TRANSFER LIPID BINDING PROTEIN
Ref.: BINDING OF L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL IN THE HYDROPHOBIC CHANNEL OF BARLEY LIPID TRANSFER PROTEIN TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LAP A:92;
A:93;
A:94;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
440.532 C20 H43 N O7 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MID 1.71 Å NON-ENZYME: BINDING NON-SPECIFIC LIPID TRANSFER PROTEIN 1 FROM BARLEY IN COMPLEX WITH L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUDOYL HORDEUM VULGARE LIPID TRANSFER LIPID BINDING PROTEIN
Ref.: BINDING OF L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL IN THE HYDROPHOBIC CHANNEL OF BARLEY LIPID TRANSFER PROTEIN TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1MID - LAP C20 H43 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: LAP; 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 : 1MID; Ligand: LAP; 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: 1mid.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1MID; Ligand: LAP; Similar sites found: 38
This union binding pocket(no: 2) in the query (biounit: 1mid.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KP6 SAL 0.001478 0.47247 None
2 4NG2 OHN 0.007729 0.42579 None
3 1UO5 PIH 0.00978 0.42089 None
4 5FQK 6NT 0.00699 0.42037 None
5 5JNN 6LM 0.01075 0.41715 None
6 3QXV MTX 0.01063 0.40869 None
7 4P6X HCY 0.01655 0.40302 None
8 1UO4 PIH 0.01827 0.40181 None
9 1N13 AG2 0.005482 0.42733 2.1978
10 2QQC AG2 0.005874 0.4257 2.1978
11 4MRP GSH 0.01992 0.41217 2.1978
12 4URX FK1 0.01078 0.42826 3.2967
13 1N20 3AG 0.005975 0.42809 3.2967
14 3DNT ATP 0.01588 0.40877 3.2967
15 2Q8H TF4 0.02503 0.40207 4.3956
16 4K38 SAM 0.005723 0.42359 5.49451
17 4K39 SAM 0.005803 0.42132 5.49451
18 4OKZ 3E9 0.008993 0.41937 5.49451
19 3NMV PYV 0.008227 0.412 5.49451
20 5K2M ADP 0.01912 0.40477 5.49451
21 5UV1 0FV 0.01159 0.40056 6.59341
22 1MO9 KPC 0.03845 0.42943 7.69231
23 1MO9 FAD 0.0388 0.42874 7.69231
24 4PTN PYR 0.01678 0.4056 7.69231
25 4L77 CNL 0.01607 0.40005 7.69231
26 5EOB 5QQ 0.02591 0.42443 8.79121
27 3DTU DXC 0.01484 0.40366 9.89011
28 5TPC GAL SIA NGA GAL SIA 0.01409 0.40316 9.89011
29 3JRS A8S 0.01455 0.40745 10.989
30 2Q1H AS4 0.01415 0.40457 10.989
31 4BQH 9VU 0.01451 0.40216 10.989
32 3EWC MCF 0.02322 0.40202 12.0879
33 2Q1S NAI 0.03472 0.41223 13.1868
34 5JO1 6LM 0.007849 0.41881 14.2857
35 4N14 WR7 0.01865 0.40127 14.2857
36 3UUD EST 0.01165 0.40268 16.4835
37 3FWN ATR 0.01864 0.41797 28.5714
38 3FWN 6PG 0.008848 0.41628 28.5714
Pocket No.: 3; Query (leader) PDB : 1MID; Ligand: LAP; 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: 1mid.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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