Receptor
PDB id Resolution Class Description Source Keywords
2RKN 1.6 Å NON-ENZYME: OTHER X-RAY STRUCTURE OF THE SELF-DEFENSE AND SIGNALING PROTEIN DI ARABIDOPSIS TALIANA ARABIDOPSIS THALIANA LTP DEFENSE SIGNALING PROTEIN SIGNALING PROTEIN LIPID TRA
Ref.: THE STRUCTURE OF "DEFECTIVE IN INDUCED RESISTANCE" OF ARABIDOPSIS THALIANA, DIR1, REVEALS A NEW TYPE O TRANSFER PROTEIN. PROTEIN SCI. V. 17 1522 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LP3 A:101;
A:102;
Valid;
Valid;
none;
none;
Kd = 0.06 uM
524.691 C26 H55 N O7 P CCCCC...
ZN A:201;
A:202;
A:203;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2RKN 1.6 Å NON-ENZYME: OTHER X-RAY STRUCTURE OF THE SELF-DEFENSE AND SIGNALING PROTEIN DI ARABIDOPSIS TALIANA ARABIDOPSIS THALIANA LTP DEFENSE SIGNALING PROTEIN SIGNALING PROTEIN LIPID TRA
Ref.: THE STRUCTURE OF "DEFECTIVE IN INDUCED RESISTANCE" OF ARABIDOPSIS THALIANA, DIR1, REVEALS A NEW TYPE O TRANSFER PROTEIN. PROTEIN SCI. V. 17 1522 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2RKN Kd = 0.06 uM LP3 C26 H55 N O7 P CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2RKN Kd = 0.06 uM LP3 C26 H55 N O7 P CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2RKN Kd = 0.06 uM LP3 C26 H55 N O7 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LP3; 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 : 2RKN; Ligand: LP3; 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: 2rkn.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2RKN; Ligand: LP3; Similar sites found: 42
This union binding pocket(no: 2) in the query (biounit: 2rkn.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CB8 MYA 0.0006581 0.4801 None
2 1VJ7 GPX 0.001673 0.45773 None
3 4MGA 27L 0.007756 0.42993 None
4 1NF8 BOG 0.009483 0.42969 None
5 1I0B PEL 0.01038 0.4269 None
6 5M6N 7H9 0.008483 0.4207 None
7 1OQC FAD 0.01286 0.40559 None
8 1JR8 FAD 0.01254 0.40453 None
9 4OIV XX9 0.03045 0.40403 None
10 3IA4 MTX 0.007348 0.40391 None
11 3KP6 SAL 0.01884 0.40198 None
12 4MTI 2DX 0.02036 0.40084 None
13 5AHS COA 0.008831 0.4003 None
14 5DXE EST 0.008869 0.40022 None
15 1M2Z BOG 0.003245 0.45991 3.8961
16 3KDU NKS 0.00421 0.45453 3.8961
17 1NHZ 486 0.007667 0.41108 3.8961
18 5TA6 79D 0.01356 0.40885 3.8961
19 2HHP FLC 0.0086 0.40685 5.19481
20 4M73 SAH 0.004599 0.44275 6.49351
21 3FUR Z12 0.0152 0.42458 6.49351
22 1U72 NDP 0.02069 0.42246 6.49351
23 3G9E RO7 0.02 0.40803 6.49351
24 1N46 PFA 0.009092 0.41572 7.79221
25 5L7G 6QE 0.009136 0.41098 7.79221
26 2P1C GG3 0.02028 0.40305 7.79221
27 2A3I C0R 0.01326 0.40174 7.79221
28 2E2R 2OH 0.02928 0.40093 7.79221
29 3UUD EST 0.008662 0.40068 7.79221
30 5EW9 5VC 0.04719 0.42393 9.09091
31 5U3B 7TD 0.01245 0.41329 9.09091
32 2Q1H AS4 0.009577 0.40477 9.09091
33 5HYR EST 0.008942 0.40006 9.09091
34 1U3D FAD 0.01551 0.4074 11.6883
35 3QCP FAD 0.01497 0.40541 11.6883
36 3P0K FAD 0.001761 0.44442 12.987
37 5OCA 9QZ 0.01856 0.42339 14.2857
38 3IX9 MTX 0.006233 0.40015 14.2857
39 4IP7 FLC 0.01739 0.40279 15.5844
40 4OKD GLC GLC GLC 0.02189 0.40121 15.5844
41 4BKS X6C 0.01996 0.40062 20.7792
42 3AHQ FAD 0.01114 0.40693 24.6753
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