Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MRD A:701;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@H...
PPG A:600;
Valid;
none;
submit data
389.298 C14 H20 N3 O8 P Cc1c(...
View in 3D viewer
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: PPG; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 PPG 1 1
2 PMP 0.513514 0.825397
3 1D0 0.505263 0.826087
4 P1T 0.488095 0.850746
5 GT1 0.467532 0.686567
6 HEY 0.461538 0.865672
7 PXP 0.460526 0.734375
8 3LM 0.456522 0.763889
9 PLG 0.452381 0.861538
10 LCS 0.450549 0.727273
11 IK2 0.448276 0.850746
12 RMT 0.447917 0.848485
13 TLP 0.443182 0.818182
14 2BK 0.443182 0.818182
15 5PA 0.443182 0.850746
16 2BO 0.443182 0.818182
17 ORX 0.44086 0.878788
18 ILP 0.43956 0.794118
19 PPD 0.438202 0.890625
20 PDD 0.436782 0.818182
21 PP3 0.436782 0.818182
22 PDA 0.436782 0.818182
23 PE1 0.43617 0.878788
24 QLP 0.434783 0.867647
25 PLA 0.433333 0.838235
26 PLS 0.426966 0.861538
27 PDG 0.423913 0.892308
28 PGU 0.423913 0.892308
29 CBA 0.423913 0.782609
30 AN7 0.423529 0.746032
31 C6P 0.422222 0.861538
32 LPI 0.419355 0.802817
33 PL2 0.419355 0.838235
34 PMG 0.419355 0.84058
35 FOO 0.418605 0.809524
36 PY5 0.417582 0.838235
37 2B6 0.415842 0.670886
38 2B1 0.414141 0.653846
39 EVM 0.411111 0.815385
40 PSZ 0.410526 0.75
41 EA5 0.410526 0.880597
42 4LM 0.409091 0.784615
43 0JO 0.409091 0.8
44 7XF 0.408602 0.863636
45 F0G 0.404494 0.793651
46 IN5 0.402299 0.787879
47 PY6 0.4 0.814286
48 FEV 0.4 0.772727
49 33P 0.4 0.80303
50 76U 0.4 0.878788
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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