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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 1443 families.
1 5CAD - PCA C5 H7 N O3 C1CC(=O)N[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5CAD - PCA C5 H7 N O3 C1CC(=O)N[....
2 5YJS - SAL C7 H6 O3 c1ccc(c(c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5CAD - PCA C5 H7 N O3 C1CC(=O)N[....
2 5YJS - SAL C7 H6 O3 c1ccc(c(c1....
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 with APoc: 94
This union binding pocket(no: 1) in the query (biounit: 5cad.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1WAP TRP None
2 5FD0 NAG 1.02041
3 1GA8 DEL 1.28617
4 2PYY GLU 1.31579
5 1P0F NAP 1.34048
6 2GU8 796 1.78042
7 4R5Z PMP 1.90736
8 5X8Q 82R 1.93798
9 5NTW 98N 1.94553
10 1GQG DCD 2
11 4QYS PLP SEP 2.04082
12 4ITU 1HS 2.23048
13 4ITU NAI 2.23048
14 4RPO T6C 2.24215
15 3RDE OYP 2.29592
16 4CYI ATP 2.29592
17 1RPN NDP 2.38806
18 5HSS 650 2.42588
19 5HSS 64Z 2.42588
20 3KFC 61X 2.55102
21 6EOZ 58K 2.5974
22 1E3W NAD 2.68199
23 4LS7 1X9 2.80612
24 4Q9M FPP 2.84553
25 1U08 PLP 2.84974
26 1IIU RTL 2.87356
27 6FE1 V14 3.11284
28 4UIB GWX 3.25733
29 5OGX FAD 3.27381
30 1E2K TMC 3.32326
31 1N9G NAP 3.36788
32 4LUT DCS 3.37662
33 1E3I CXF 3.45745
34 5I0U DCY 3.5
35 1CDO NAD 3.57143
36 2DM6 NAP 3.6036
37 3OF1 CMP 3.65854
38 2VAR KDG 3.83387
39 2VAR KDF 3.83387
40 1P4A PCP 3.85965
41 2RJH DCS 3.95778
42 6EHH 2GE 3.97727
43 2XUM OGA 4.01146
44 2FZW NAD 4.02145
45 6DAM PQQ 4.08163
46 4UUG PXG 4.21687
47 5JWP AKG 4.26136
48 2DT5 NAD 4.2654
49 2WCV FUC 4.28571
50 2WA4 069 4.29799
51 1H2K OGA 4.29799
52 1H2M OGA 4.29799
53 3P3N AKG 4.29799
54 4B7E OGA 4.29799
55 3QP4 HL0 4.3956
56 5LYR MAN MNM 4.67532
57 2VHW NAI 4.77454
58 4DS8 A8S 4.78469
59 2YVE MBT 4.86486
60 1MH5 HAL 5.02283
61 4LH0 GLV 5.10204
62 2ZB4 NAP 5.32213
63 2ZB4 5OP 5.32213
64 2Z93 END 5.6338
65 4N70 2HX 5.79268
66 1G72 PQQ 5.7971
67 3WUC GLC GAL 5.83942
68 1XSE NDP 5.86735
69 2IUW AKG 5.88235
70 4BPZ GLC BGC BGC 6.64062
71 2FLI DX5 6.81818
72 1T0I FMN 6.88775
73 3N9P OGA 6.88775
74 1N5S ADL 7.14286
75 3H0A D30 7.35294
76 3VOT ADP 7.65306
77 1Y0G 8PP 8.37696
78 3STD MQ0 8.48485
79 1CX4 CMP 9.18033
80 4P7X YCP 9.24658
81 4P7X AKG 9.24658
82 1Q6O LG6 9.25926
83 1TPY 16A 9.40767
84 5K8S CMP 10.1351
85 2BLE 5GP 10.2041
86 5OO5 UUA 10.4839
87 1W8S FBP 11.7871
88 6AM8 PLT 12.5
89 1QY1 PRZ 12.6437
90 5JSP DQY 13.4328
91 5KBF CMP 16.6113
92 1W85 TDP 18.3673
93 6CUZ FEV 19.3878
94 5TFZ 7BC 24.6667
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