Receptor
PDB id Resolution Class Description Source Keywords
5MXW 1.57 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF YELLOW LUPIN LLPR-10.2B PROTEIN IN COMP MELATONIN AND TRANS-ZEATIN. LUPINUS LUTEUS PLANT PROTEIN PHYTOHORMON BINDING PROTEIN PR-10 PROTEIN M
Ref.: PR-10 PROTEINS AS POTENTIAL MEDIATORS OF MELATONIN-CROSS-TALK IN PLANTS: CRYSTALLOGRAPHIC STUDIES OF L ISOFORM FROM YELLOW LUPINE. FEBS J. V. 285 1907 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UNL A:203;
A:210;
A:205;
A:215;
A:214;
A:216;
A:201;
A:202;
A:211;
A:208;
A:204;
A:206;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
n/a NULL NULL
NA A:217;
Part of Protein;
none;
submit data
22.99 Na [Na+]
ZEA A:219;
Valid;
none;
submit data
219.243 C10 H13 N5 O C/C(=...
ML1 A:218;
Valid;
none;
submit data
232.278 C13 H16 N2 O2 CC(=O...
UNL UNL A:207;
A:212;
Invalid;
Invalid;
none;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3E85 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PATHOGENESIS-RELATED PROTEIN LLPR-10.2B YELLOW LUPINE IN COMPLEX WITH DIPHENYLUREA LUPINUS LUTEUS PLANT HORMONES CYTOKININ DIPHENYLUREA PLANT PR-10 PROTEINLUPINE PATHOGENESIS-RELATED PROTEIN PLANT DEFENSE PLANT
Ref.: CYTOKININ-INDUCED STRUCTURAL ADAPTABILITY OF A LUPI LUTEUS PR-10 PROTEIN. FEBS J. V. 276 1596 2009
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2QIM - ZEA C10 H13 N5 O C/C(=CCNc1....
2 5MXB - ML1 C13 H16 N2 O2 CC(=O)NCCc....
3 3E85 Kd = 4.2 uM BSU C13 H12 N2 O c1ccc(cc1)....
4 5MXW - ZEA C10 H13 N5 O C/C(=CCNc1....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2QIM - ZEA C10 H13 N5 O C/C(=CCNc1....
2 5MXB - ML1 C13 H16 N2 O2 CC(=O)NCCc....
3 3E85 Kd = 4.2 uM BSU C13 H12 N2 O c1ccc(cc1)....
4 5MXW - ZEA C10 H13 N5 O C/C(=CCNc1....
5 4MA6 - 28E C15 H14 O6 c1cc(c(cc1....
6 4RYV - ZEA C10 H13 N5 O C/C(=CCNc1....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2QIM - ZEA C10 H13 N5 O C/C(=CCNc1....
2 5MXB - ML1 C13 H16 N2 O2 CC(=O)NCCc....
3 3E85 Kd = 4.2 uM BSU C13 H12 N2 O c1ccc(cc1)....
4 5MXW - ZEA C10 H13 N5 O C/C(=CCNc1....
5 4JHG - ZEA C10 H13 N5 O C/C(=CCNc1....
6 4JHH - H35 C10 H9 N5 O c1cc(oc1)C....
7 4GY9 - ZIP C10 H13 N5 CC(=CCNc1c....
8 4MA6 - 28E C15 H14 O6 c1cc(c(cc1....
9 4A87 - NAR C15 H12 O5 c1cc(ccc1[....
10 4A8V - 2AN C16 H13 N O3 S c1ccc(cc1)....
11 4A86 - H35 C10 H9 N5 O c1cc(oc1)C....
12 4A85 - H35 C10 H9 N5 O c1cc(oc1)C....
13 4MNS - 2AX C15 H15 N O4 S C[C@H]1CS[....
14 4A83 - DXC C24 H40 O4 C[C@H](CCC....
15 4A80 - 2AN C16 H13 N O3 S c1ccc(cc1)....
16 1FM4 - DXC C24 H40 O4 C[C@H](CCC....
17 4A81 - DXC C24 H40 O4 C[C@H](CCC....
18 4A84 - DXC C24 H40 O4 C[C@H](CCC....
19 4RYV - ZEA C10 H13 N5 O C/C(=CCNc1....
20 5I8F - ML1 C13 H16 N2 O2 CC(=O)NCCc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ZEA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ZEZ 1 1
2 ZEA 1 1
3 ZIP 0.745455 0.808511
4 2KU 0.5 0.696429
5 EMU 0.462687 0.717391
Ligand no: 2; Ligand: ML1; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 ML1 1 1
2 F1V 0.733333 0.914894
3 ET0 0.627119 0.645833
4 ASE 0.606557 0.888889
5 MZC 0.590909 0.803922
6 MYI 0.55 0.625
7 ML2 0.485294 0.846154
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3E85; Ligand: BSU; 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: 3e85.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3E85; Ligand: BSU; 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: 3e85.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3E85; Ligand: BSU; 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: 3e85.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3E85; Ligand: BSU; 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: 3e85.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
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