Receptor
PDB id Resolution Class Description Source Keywords
3PIU 1.35 Å EC: 4.4.1.14 HIGH-RESOLUTION STRUCTURE OF NATIVE MALUS DOMESTICA ACC SYNT MALUS DOMESTICA FRUIT RIPENING ETHYLENE BIOSYNTHESIS LYASE PYRIDOXAL 5-prime -PBINDING
Ref.: STRUCTURAL BASIS FOR REDUCED ACTIVITY OF 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE AFFECTED MUTATION LINKED TO ANDROMONOECY. FEBS LETT. V. 585 111 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLR A:500;
Valid;
none;
submit data
233.158 C8 H12 N O5 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M7Y 1.6 Å EC: 4.4.1.14 CRYSTAL STRUCTURE OF APPLE ACC SYNTHASE IN COMPLEX WITH L- AMINOETHOXYVINYLGLYCINE MALUS X DOMESTICA FRUIT RIPENING ETHYLENE BIOSYNTHESIS PYRIDOXAL PHOSPHATE
Ref.: APPLE 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE IN WITH THE INHIBITOR L-AMINOETHOXYVINYLGLYCINE J.BIOL.CHEM. V. 277 49735 2002
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1M4N - PLP AAD n/a n/a
2 3PIU - PLR C8 H12 N O5 P Cc1c(cnc(c....
3 1M7Y - PPG C14 H20 N3 O8 P Cc1c(c(c(c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1M4N - PLP AAD n/a n/a
2 3PIU - PLR C8 H12 N O5 P Cc1c(cnc(c....
3 1M7Y - PPG C14 H20 N3 O8 P Cc1c(c(c(c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1M4N - PLP AAD n/a n/a
2 3PIU - PLR C8 H12 N O5 P Cc1c(cnc(c....
3 1M7Y - PPG C14 H20 N3 O8 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLR; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 PLR 1 1
2 PLP 0.58 0.895833
3 GT1 0.576923 0.846154
4 PZP 0.568627 0.86
5 PXP 0.568627 0.843137
6 PMP 0.557692 0.781818
7 P0P 0.557692 0.895833
8 AN7 0.47541 0.86
9 EPC 0.47541 0.88
10 PLG 0.467742 0.704918
11 FOO 0.467742 0.796296
12 IN5 0.467742 0.803571
13 EXT 0.467742 0.781818
14 2BK 0.454545 0.745763
15 2BO 0.454545 0.745763
16 TLP 0.454545 0.745763
17 4LM 0.453125 0.8
18 0JO 0.453125 0.754386
19 PDA 0.446154 0.775862
20 PP3 0.446154 0.775862
21 F0G 0.446154 0.846154
22 PDD 0.446154 0.775862
23 P1T 0.446154 0.671875
24 MPM 0.446154 0.830189
25 PY5 0.441176 0.6875
26 PLA 0.441176 0.714286
27 33P 0.439394 0.758621
28 IK2 0.439394 0.671875
29 FEV 0.439394 0.785714
30 KOU 0.439394 0.754386
31 EVM 0.432836 0.741379
32 P3D 0.432836 0.716667
33 HCP 0.432836 0.754386
34 5PA 0.432836 0.671875
35 PLS 0.432836 0.704918
36 PMH 0.432836 0.605634
37 ILP 0.428571 0.721311
38 PGU 0.428571 0.68254
39 PDG 0.428571 0.68254
40 7XF 0.428571 0.68254
41 PPD 0.426471 0.704918
42 C6P 0.426471 0.704918
43 MP5 0.425926 0.678571
44 QLP 0.422535 0.641791
45 LPI 0.422535 0.681818
46 PY6 0.416667 0.692308
47 PL6 0.414286 0.767857
48 6DF 0.414286 0.862745
49 PXG 0.413333 0.704918
50 N5F 0.410959 0.671875
51 ORX 0.410959 0.671875
52 Z98 0.408451 0.704918
53 PFM 0.408451 0.754386
54 FEJ 0.408451 0.8
55 CBA 0.408451 0.68254
56 P89 0.407895 0.725806
57 PE1 0.405405 0.671875
58 PMG 0.402778 0.692308
59 PL2 0.402778 0.661538
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M7Y; Ligand: PPG; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 1m7y.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3CQ5 PMP 12.4661
2 2HOX P1T 18.7354
3 2X5D PLP 32.767
Pocket No.: 2; Query (leader) PDB : 1M7Y; Ligand: PPG; 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: 1m7y.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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