Receptor
PDB id Resolution Class Description Source Keywords
1M4N 2.01 Å EC: 4.4.1.14 CRYSTAL STRUCTURE OF APPLE ACC SYNTHASE IN COMPLEX WITH [2-( OXY)ETHYL](5'-DEOXYADENOSIN-5'-YL)(METHYL)SULFONIUM MALUS X DOMESTICA FRUIT RIPENING ETHYLENE BIOSYNTHESIS PYRIDOXAL PHOSPHATE
Ref.: STRUCTURE OF 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNT COMPLEX WITH AN AMINO-OXY ANALOGUE OF THE SUBSTRATE IMPLICATIONS FOR SUBSTRATE BINDING. BIOCHEM.BIOPHYS.ACTA V.1647 55 2003 PROTEINS & PROTEOMICS
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MES A:601;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
PLP AAD A:501;
Valid;
none;
submit data
582.511 n/a [SH0]...
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 (2D)
Ligand no: 1; Ligand: PLP AAD; Similar ligands found: 60
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP AAD 1 1
2 AMP MG 0.460177 0.77907
3 ACP 0.441667 0.717391
4 A2D 0.439655 0.752809
5 RBY 0.434426 0.728261
6 ADV 0.434426 0.728261
7 APC MG 0.434426 0.772727
8 A12 0.432203 0.728261
9 AP2 0.432203 0.728261
10 ADP 0.428571 0.733333
11 ABM 0.42735 0.793103
12 45A 0.42735 0.793103
13 AR6 0.42623 0.733333
14 PRX 0.42623 0.755556
15 APR 0.42623 0.733333
16 APC 0.42623 0.728261
17 A 0.426087 0.75
18 AMP 0.426087 0.75
19 ADP BEF 0.425 0.770115
20 ADP MG 0.425 0.770115
21 ADX 0.421488 0.726316
22 CA0 0.421488 0.717391
23 M33 0.421488 0.764045
24 BA3 0.420168 0.752809
25 6YZ 0.417323 0.717391
26 B4P 0.416667 0.752809
27 AP5 0.416667 0.752809
28 ACQ 0.416 0.717391
29 GAP 0.416 0.736264
30 AN2 0.413223 0.744444
31 AT4 0.413223 0.728261
32 AGS 0.41129 0.73913
33 ADP PO3 0.41129 0.770115
34 ATP MG 0.41129 0.770115
35 SRA 0.410256 0.755556
36 AU1 0.409836 0.736264
37 BEF ADP 0.408 0.752809
38 M2T 0.40708 0.758621
39 50T 0.406504 0.725275
40 KG4 0.406504 0.717391
41 HEJ 0.406504 0.733333
42 ATP 0.406504 0.733333
43 8LH 0.40625 0.747253
44 ANP 0.404762 0.736264
45 B5Y 0.404412 0.777778
46 B5M 0.404412 0.777778
47 AQP 0.403226 0.733333
48 5FA 0.403226 0.733333
49 HQG 0.403101 0.725275
50 ME8 0.402985 0.793478
51 SON 0.401639 0.728261
52 8LE 0.401575 0.73913
53 5AL 0.401575 0.744444
54 8LQ 0.4 0.747253
55 MAP 0.4 0.72043
56 QA7 0.4 0.758242
57 DAL AMP 0.4 0.764045
58 DQV 0.4 0.744444
59 AD9 0.4 0.717391
60 MYR AMP 0.4 0.755319
Similar Ligands (3D)
Ligand no: 1; Ligand: PLP AAD; Similar ligands found: 0
No: Ligand Similarity coefficient
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: 5
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 3CQ5 PMP 12.4661
3 2HOX P1T 18.7354
4 2HOX P1T 18.7354
5 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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