Receptor
PDB id Resolution Class Description Source Keywords
1IPC 2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF EUKARYOTIC INITIATION FACTOR 4E COMPLEX METHYL GTP HOMO SAPIENS INITIATION FACTOR PROTEIN BIOSYNTHESIS RNA BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF 7-METHYLGUANOSINE 5'-TRIPHOSP (M(7)GTP)- AND P(1)-7-METHYLGUANOSINE-P(3)-ADENOSINE-5',5'-TRIPHOS (M(7)GPPPA)-BOUND HUMAN FULL-LENGTH EUKARYOTIC INIT FACTOR 4E: BIOLOGICAL IMPORTANCE OF THE C-TERMINAL REGION BIOCHEM.J.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MGP A:1000;
Valid;
none;
submit data
538.215 C11 H19 N5 O14 P3 C[n+]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1IPC 2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF EUKARYOTIC INITIATION FACTOR 4E COMPLEX METHYL GTP HOMO SAPIENS INITIATION FACTOR PROTEIN BIOSYNTHESIS RNA BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF 7-METHYLGUANOSINE 5'-TRIPHOSP (M(7)GTP)- AND P(1)-7-METHYLGUANOSINE-P(3)-ADENOSINE-5',5'-TRIPHOS (M(7)GPPPA)-BOUND HUMAN FULL-LENGTH EUKARYOTIC INIT FACTOR 4E: BIOLOGICAL IMPORTANCE OF THE C-TERMINAL REGION BIOCHEM.J.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 1IPB - GTA C21 H30 N10 O17 P3 C[n+]1cn(c....
2 1IPC - MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 1IPB - GTA C21 H30 N10 O17 P3 C[n+]1cn(c....
2 1IPC - MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
3 5OSX ic50 = 0.285 uM AKW C21 H30 N10 O16 P3 S2 C[n+]1cn(c....
4 1L8B Kd = 0.14 uM MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
5 5J5Y Ka = 82.8 M^-1 6G6 C13 H21 Cl2 N5 O16 P4 C[n+]1cn(c....
6 4TPW Kd = 20.5 uM 33R C18 H12 Cl2 N4 O4 S c1ccc(c(c1....
7 4TQB - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
8 1EJ1 - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
9 4TQC - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
10 5J5O Ka = 102.8 M^-1 6G0 C11 H20 N5 O17 P4 C[n+]1cn(c....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 1IPB - GTA C21 H30 N10 O17 P3 C[n+]1cn(c....
2 1IPC - MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
3 2WMC - MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
4 5OSX ic50 = 0.285 uM AKW C21 H30 N10 O16 P3 S2 C[n+]1cn(c....
5 1L8B Kd = 0.14 uM MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
6 5J5Y Ka = 82.8 M^-1 6G6 C13 H21 Cl2 N5 O16 P4 C[n+]1cn(c....
7 4TPW Kd = 20.5 uM 33R C18 H12 Cl2 N4 O4 S c1ccc(c(c1....
8 4TQB - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
9 1EJ1 - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
10 4TQC - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
11 5J5O Ka = 102.8 M^-1 6G0 C11 H20 N5 O17 P4 C[n+]1cn(c....
12 2IDV - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MGP; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 MGP 1 1
2 6G0 0.986667 1
3 G7M 0.794872 0.987013
4 GTG 0.741935 0.974684
5 GTA 0.71875 0.974684
6 MG7 0.653846 0.884615
7 QBQ 0.651685 0.948052
8 GTP 0.619565 0.961039
9 MGO 0.619565 0.901235
10 GDP 7MG 0.592233 0.949367
11 GP3 0.55914 0.936709
12 GDP 0.553191 0.961039
13 GSP 0.525253 0.91358
14 MGQ 0.514852 0.925
15 CZF 0.505155 0.897436
16 GAV 0.5 0.925
17 G1R 0.5 0.948718
18 GNH 0.5 0.948718
19 MGV 0.5 0.880952
20 01G 0.495327 0.870588
21 9GM 0.49505 0.936709
22 GNP 0.49505 0.936709
23 JSQ 0.494845 0.841463
24 HFD 0.494845 0.841463
25 ATP 0.494737 0.884615
26 HEJ 0.494737 0.884615
27 AQP 0.489583 0.884615
28 5FA 0.489583 0.884615
29 GCP 0.485149 0.936709
30 G5P 0.477477 0.936709
31 7DT 0.474227 0.871795
32 G2R 0.471698 0.925
33 G 0.46875 0.948052
34 ITT 0.46875 0.835443
35 5GP 0.46875 0.948052
36 G3A 0.468468 0.936709
37 0O2 0.46729 0.948052
38 AJQ 0.466102 0.926829
39 GDC 0.463636 0.925
40 GDD 0.463636 0.925
41 Y9Z 0.463636 0.892857
42 GKE 0.463636 0.925
43 GMV 0.460784 0.936709
44 GDR 0.459459 0.949367
45 GFB 0.459459 0.949367
46 DGT 0.456311 0.888889
47 GPD 0.45614 0.914634
48 6CK 0.455357 0.902439
49 G2P 0.451923 0.925
50 B4P 0.447917 0.860759
51 AP5 0.447917 0.860759
52 JB2 0.447368 0.949367
53 GKD 0.447368 0.925
54 8GT 0.445545 0.843373
55 NGD 0.445378 0.949367
56 GPG 0.440367 0.925
57 BA3 0.4375 0.860759
58 GH3 0.433962 0.935897
59 ADP 0.43299 0.884615
60 6YZ 0.432692 0.8625
61 GP2 0.431373 0.925
62 GDX 0.431034 0.936709
63 RGT 0.428571 0.875
64 YGP 0.428571 0.891566
65 MGT 0.428571 0.837209
66 IDP 0.425743 0.935065
67 A4P 0.425 0.83908
68 JB3 0.425 0.9375
69 CAG 0.424 0.894118
70 25L 0.423423 0.873418
71 A2D 0.416667 0.860759
72 GDP BEF 0.415094 0.924051
73 7DD 0.414141 0.871795
74 6AD 0.413462 0.855422
75 AGS 0.411765 0.841463
76 G3D 0.411215 0.948052
77 GTP MG 0.411215 0.948052
78 G2Q 0.409091 0.925
79 ALF 5GP 0.40566 0.879518
80 TPG 0.40458 0.853933
81 ACQ 0.403846 0.8625
82 ANP 0.403846 0.8625
83 G4P 0.40367 0.948052
84 C1Z 0.401786 0.948052
85 2MD 0.4 0.860465
Similar Ligands (3D)
Ligand no: 1; Ligand: MGP; Similar ligands found: 4
No: Ligand Similarity coefficient
1 ACP 0.9094
2 M7G 0.9078
3 8DG 0.8784
4 ADP BEF 0.8525
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1IPC; Ligand: MGP; 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: 1ipc.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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