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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 1443 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 1205 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 1039 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: 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 : 2RKN; Ligand: LP3; Similar sites found with APoc: 13
This union binding pocket(no: 1) in the query (biounit: 2rkn.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5N7O 69Y None
2 3G08 FEE 2.5974
3 1R37 NAD 3.8961
4 6CB2 OLC 3.8961
5 2VVL FAD 5.19481
6 2BHW NEX 5.19481
7 2HHP FLC 5.19481
8 4A0M NAD 6.49351
9 5U3B 7TD 9.09091
10 4WGF HX2 9.09091
11 4OGQ 7PH 18.1818
12 4D5G TPP 18.1818
13 4D5G FAD 18.1818
Pocket No.: 2; Query (leader) PDB : 2RKN; Ligand: LP3; Similar sites found with APoc: 99
This union binding pocket(no: 2) in the query (biounit: 2rkn.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2CB8 MYA None
2 1DTL BEP None
3 1VJ7 GPX None
4 4WG0 CHD None
5 5NM7 GLY None
6 1NF8 BOG None
7 1I0B PEL None
8 5M6N 7H9 None
9 1UDY CS8 None
10 4V1F BQ1 None
11 3IIS PID None
12 3GWN FAD None
13 1NU4 MLA None
14 1TMX HGX None
15 3UW4 MAA CHG PRO 0DQ None
16 5AAV GW5 None
17 4GN8 ASO None
18 1OQC FAD None
19 4O08 PO6 None
20 3GN8 DEX None
21 1JR8 FAD None
22 3IA4 MTX None
23 5UFS 1TA None
24 3KP6 SAL None
25 4TUZ 36J None
26 2QE4 JJ3 None
27 4MTI 2DX None
28 1D1G MTX None
29 1YUC EPH None
30 5AHS COA None
31 5DXE EST None
32 1HBK MYR 2.5974
33 1HBK COA 2.5974
34 6ARJ SAH 2.5974
35 6ARJ BW4 2.5974
36 1M2Z BOG 3.8961
37 3KDU NKS 3.8961
38 1K7L 544 3.8961
39 5X20 AOT 3.8961
40 1NHZ 486 3.8961
41 5TA6 79D 3.8961
42 3JZB 4HY 3.8961
43 3HPY MCT 3.8961
44 5AZC PGT 3.8961
45 5U97 PIT 5.19481
46 4ELG 52I 5.19481
47 4ELG 52J 5.19481
48 4M73 SAH 6.49351
49 4M73 M72 6.49351
50 3X01 AMP 6.49351
51 3FUR Z12 6.49351
52 2P4Y C03 6.49351
53 3NRR D16 6.49351
54 3NRR NAP 6.49351
55 3G9E RO7 6.49351
56 4E2J MOF 6.49351
57 5LX9 OLB 7.79221
58 4TV1 36M 7.79221
59 1N46 PFA 7.79221
60 5L7G 6QE 7.79221
61 4UDB CV7 7.79221
62 5HCV 60R 7.79221
63 2P1C GG3 7.79221
64 5MWY YNU 7.79221
65 6BQC LOP 7.79221
66 2A3I C0R 7.79221
67 2E2R 2OH 7.79221
68 3UUD EST 7.79221
69 2BCG GER 9.09091
70 5EW9 5VC 9.09091
71 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 9.09091
72 1Y7I SAL 9.09091
73 1LVW TYD 9.09091
74 5HYR EST 9.09091
75 2Q1H AS4 9.09091
76 2BJ4 OHT 9.09091
77 2HJ3 FAD 10.3896
78 3AI3 SOE 10.3896
79 3T58 FAD 10.3896
80 4DE3 DN8 11.6883
81 1U3D FAD 11.6883
82 3QCP FAD 11.6883
83 4EU7 CIT 11.6883
84 3P0K FAD 12.987
85 2GJ5 VD3 12.987
86 5OCA 9QZ 14.2857
87 1Q7E MET 14.2857
88 3IX9 MTX 14.2857
89 4IP7 FLC 15.5844
90 4OKD GLC GLC GLC 15.5844
91 4OGQ UMQ 18.1818
92 3H78 BE2 18.1818
93 4XCP PLM 18.1818
94 5W97 CHD 19.5652
95 4BKS X6C 20.7792
96 3AHQ FAD 24.6753
97 1UVC STE 32.4675
98 1MID LAP 35.0649
99 1FK5 OLA 36.3636
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