Receptor
PDB id Resolution Class Description Source Keywords
5CAD 1.49 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE VICILIN FROM SOLANUM MELONGENA REVE EXISTENCE OF DIFFERENT ANIONIC LIGANDS IN STRUCTURALLY SIMIP OCKETS SOLANUM MELONGENA SOLANACEAE; SOLANUM MELONGENA;7S VICILIN; SM80.1 PLANT PROT
Ref.: CRYSTAL STRUCTURE OF THE VICILIN FROM SOLANUM MELON REVEALS EXISTENCE OF DIFFERENT ANIONIC LIGANDS IN STRUCTURALLY SIMILAR POCKETS SCI REP V. 6 23600 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
ACT A:402;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
PCA A:403;
Valid;
none;
submit data
129.114 C5 H7 N O3 C1CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CAD 1.49 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE VICILIN FROM SOLANUM MELONGENA REVE EXISTENCE OF DIFFERENT ANIONIC LIGANDS IN STRUCTURALLY SIMIP OCKETS SOLANUM MELONGENA SOLANACEAE; SOLANUM MELONGENA;7S VICILIN; SM80.1 PLANT PROT
Ref.: CRYSTAL STRUCTURE OF THE VICILIN FROM SOLANUM MELON REVEALS EXISTENCE OF DIFFERENT ANIONIC LIGANDS IN STRUCTURALLY SIMILAR POCKETS SCI REP V. 6 23600 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5CAD - PCA C5 H7 N O3 C1CC(=O)N[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5CAD - PCA C5 H7 N O3 C1CC(=O)N[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5CAD - PCA C5 H7 N O3 C1CC(=O)N[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PCA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PCA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CAD; Ligand: PCA; Similar sites found: 37
This union binding pocket(no: 1) in the query (biounit: 5cad.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PYY GLU 0.005635 0.4179 1.31579
2 1P0F NAP 0.01831 0.42631 1.34048
3 2GU8 796 0.01747 0.44117 1.78042
4 5X8Q 82R 0.01789 0.40561 1.93798
5 1GQG DCD 0.004371 0.43862 2
6 4ITU 1HS 0.04177 0.40655 2.23048
7 4RPO T6C 0.03057 0.40595 2.24215
8 4CYI ATP 0.02926 0.40073 2.29592
9 3KFC 61X 0.02535 0.41118 2.55102
10 5W2I I3P 0.007781 0.43379 2.72374
11 5W2I ADP 0.007781 0.43379 2.72374
12 1IIU RTL 0.01552 0.42507 2.87356
13 4N1T 2GD 0.02622 0.41578 3.14465
14 5I0U DCY 0.001979 0.45418 3.5
15 2DM6 NAP 0.01705 0.42529 3.6036
16 2RJH DCS 0.01054 0.40456 3.95778
17 2XUM OGA 0.0001621 0.4999 4.01146
18 2FZW NAD 0.02078 0.43378 4.02145
19 4UUG PXG 0.01497 0.41709 4.21687
20 4DS8 A8S 0.005794 0.42238 4.78469
21 2YVE MBT 0.00469 0.43747 4.86486
22 2Z93 END 0.006433 0.42173 5.6338
23 4N70 2HX 0.03918 0.41259 5.79268
24 4BPZ GLC BGC BGC 0.01422 0.40035 6.64062
25 1T0I FMN 0.008082 0.42708 6.88775
26 3N9P OGA 0.007475 0.40227 6.88775
27 1MJJ HAL 0.005009 0.44157 7.04846
28 3H0A D30 0.03479 0.40187 7.35294
29 1CX4 CMP 0.01084 0.42434 9.18033
30 4P7X YCP 0.02076 0.40424 9.24658
31 4P7X AKG 0.02076 0.40424 9.24658
32 1Q6O LG6 0.004556 0.4143 9.25926
33 1W8S FBP 0.008388 0.42092 11.7871
34 1QY1 PRZ 0.01567 0.41438 12.6437
35 5JSP DQY 0.007948 0.40504 13.4328
36 5KBF CMP 0.007071 0.4268 16.6113
37 1W85 TDP 0.01825 0.40597 18.3673
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