Receptor
PDB id Resolution Class Description Source Keywords
4B2G 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AN INDOLE-3-ACETIC ACID AMIDO SYNTHASE VINIFERA INVOLVED IN AUXIN HOMEOSTASIS VITIS VINIFERA SIGNALING PROTEIN IGNALING PROTEIN ADENYLATE AMINO ACID CONJUGATION PLANT GROWTH
Ref.: CRYSTAL STRUCTURE OF AN INDOLE-3-ACETIC ACID AMIDO SYNTHETASE FROM GRAPEVINE INVOLVED IN AUXIN HOMEOST PLANT CELL V. 24 4525 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI A:1598;
A:1599;
B:1597;
B:1598;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
V1N A:1600;
B:1600;
Valid;
Valid;
none;
none;
submit data
476.38 C19 H21 N6 O7 P c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4B2G 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AN INDOLE-3-ACETIC ACID AMIDO SYNTHASE VINIFERA INVOLVED IN AUXIN HOMEOSTASIS VITIS VINIFERA SIGNALING PROTEIN IGNALING PROTEIN ADENYLATE AMINO ACID CONJUGATION PLANT GROWTH
Ref.: CRYSTAL STRUCTURE OF AN INDOLE-3-ACETIC ACID AMIDO SYNTHETASE FROM GRAPEVINE INVOLVED IN AUXIN HOMEOST PLANT CELL V. 24 4525 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 4B2G - V1N C19 H21 N6 O7 P c1ccc2c(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 4B2G - V1N C19 H21 N6 O7 P c1ccc2c(c1....
2 5KOD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 4B2G - V1N C19 H21 N6 O7 P c1ccc2c(c1....
2 4EPL - JAI C18 H29 N O4 CC/C=CC[C@....
3 5KOD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 6E1Q - CFA C8 H6 Cl2 O3 c1cc(c(cc1....
5 4EQL - SAL C7 H6 O3 c1ccc(c(c1....
6 6OMS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
7 4EPM - AMP C10 H14 N5 O7 P c1nc(c2c(n....
8 4EQ4 - SAL C7 H6 O3 c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: V1N; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 V1N 1 1
2 TYM 0.525 0.932432
3 PRX 0.481132 0.918919
4 WSA 0.475806 0.788235
5 A2D 0.456311 0.944444
6 AMP 0.455446 0.943662
7 A 0.455446 0.943662
8 APR 0.453704 0.944444
9 AR6 0.453704 0.944444
10 AT4 0.45283 0.881579
11 ADQ 0.452174 0.945205
12 HQG 0.451327 0.931507
13 BA3 0.447619 0.944444
14 A3P 0.447619 0.916667
15 3AM 0.445545 0.902778
16 50T 0.444444 0.905405
17 OOB 0.443478 0.958333
18 B4P 0.443396 0.944444
19 AP5 0.443396 0.944444
20 ADP 0.443396 0.917808
21 ABM 0.442308 0.917808
22 45A 0.442308 0.917808
23 AN2 0.439252 0.905405
24 SRA 0.436893 0.893333
25 RBY 0.436364 0.906667
26 SAP 0.436364 0.87013
27 AD9 0.436364 0.893333
28 AGS 0.436364 0.87013
29 PAP 0.436364 0.90411
30 ADV 0.436364 0.906667
31 RAB 0.43617 0.819444
32 XYA 0.43617 0.819444
33 ADN 0.43617 0.819444
34 ADX 0.435185 0.82716
35 CA0 0.435185 0.918919
36 M33 0.435185 0.905405
37 A12 0.433962 0.881579
38 AP2 0.433962 0.881579
39 3UK 0.432203 0.945205
40 ACP 0.431193 0.893333
41 HEJ 0.431193 0.917808
42 ATP 0.431193 0.917808
43 KG4 0.431193 0.918919
44 5SV 0.431034 0.871795
45 25A 0.431034 0.944444
46 B5V 0.428571 0.932432
47 AQP 0.427273 0.917808
48 5FA 0.427273 0.917808
49 PPS 0.424779 0.804878
50 8LE 0.424779 0.894737
51 DLL 0.423729 0.958333
52 AU1 0.422018 0.893333
53 ADP BMA 0.420168 0.918919
54 COT 0.41875 0.784091
55 WAQ 0.416667 0.907895
56 ANP 0.415929 0.893333
57 ACQ 0.415929 0.893333
58 TAT 0.415929 0.881579
59 T99 0.415929 0.881579
60 AMO 0.415254 0.906667
61 PAJ 0.415254 0.860759
62 B5M 0.414634 0.92
63 APC 0.414414 0.881579
64 CA3 0.41358 0.784091
65 FYA 0.413223 0.931507
66 SON 0.412844 0.906667
67 ADP MG 0.412844 0.916667
68 5N5 0.412371 0.794521
69 5AL 0.412281 0.931507
70 00A 0.411765 0.907895
71 LQJ 0.41129 0.917808
72 APC MG 0.410714 0.891892
73 8LQ 0.410256 0.906667
74 A22 0.410256 0.931507
75 25L 0.409836 0.931507
76 6RE 0.409524 0.759494
77 ATF 0.408696 0.881579
78 A4D 0.408163 0.794521
79 5CD 0.408163 0.805556
80 2AM 0.407767 0.890411
81 OZV 0.40678 0.917808
82 9SN 0.406504 0.896104
83 M2T 0.405941 0.734177
84 SRP 0.405172 0.906667
85 6YZ 0.405172 0.893333
86 8LH 0.405172 0.906667
87 PR8 0.404959 0.873418
88 V3L 0.403509 0.944444
89 4AD 0.403361 0.894737
90 A3R 0.403361 0.858974
91 A1R 0.403361 0.858974
92 B5Y 0.403226 0.92
93 FA5 0.403226 0.932432
94 A2R 0.401709 0.931507
95 3OD 0.401639 0.918919
96 1ZZ 0.401639 0.8625
97 LMS 0.4 0.804878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4B2G; Ligand: V1N; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4b2g.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4B2G; Ligand: V1N; 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: 4b2g.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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