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Receptor
PDB id Resolution Class Description Source Keywords
5ABU 2.16 Å NON-ENZYME: TRANSCRIPT_TRANSLATE COMPLEX OF D. MELANOGASTER EIF4E WITH THE 4E-BINDING PROTEIN MEXTLI AND CAP ANALOG DROSOPHILA MELANOGASTER TRANSLATION GENE REGULATION CAP BINDING PROTEIN 4E BINDIN
Ref.: MEXTLI PROTEINS USE BOTH CANONICAL BIPARTITE AND NO TRIPARTITE BINDING MODES TO FORM EIF4E COMPLEXES TH DISPLAY DIFFERENTIAL SENSITIVITY TO 4E-BP REGULATIO GENES DEV. V. 29 1835 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTG A:1249;
Valid;
none;
submit data
803.44 C21 H30 N10 O18 P3 C[n+]...
CL B:1636;
Invalid;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ABU 2.16 Å NON-ENZYME: TRANSCRIPT_TRANSLATE COMPLEX OF D. MELANOGASTER EIF4E WITH THE 4E-BINDING PROTEIN MEXTLI AND CAP ANALOG DROSOPHILA MELANOGASTER TRANSLATION GENE REGULATION CAP BINDING PROTEIN 4E BINDIN
Ref.: MEXTLI PROTEINS USE BOTH CANONICAL BIPARTITE AND NO TRIPARTITE BINDING MODES TO FORM EIF4E COMPLEXES TH DISPLAY DIFFERENTIAL SENSITIVITY TO 4E-BP REGULATIO GENES DEV. V. 29 1835 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 5ABU - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5ABU - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5ABU - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTG; Similar ligands found: 107
No: Ligand ECFP6 Tc MDL keys Tc
1 GTG 1 1
2 GP3 0.806818 0.962025
3 GDP 7MG 0.79798 0.974684
4 GTP 0.752688 0.936709
5 6G0 0.752688 0.974684
6 MGP 0.741935 0.974684
7 GSP 0.736842 0.891566
8 GDP 0.72043 0.936709
9 GNH 0.712766 0.925
10 G1R 0.708333 0.925
11 GCP 0.690722 0.91358
12 GTA 0.688679 1
13 9GM 0.683673 0.91358
14 GNP 0.683673 0.91358
15 G3A 0.669811 0.962025
16 G2R 0.666667 0.902439
17 5GP 0.666667 0.924051
18 G 0.666667 0.924051
19 G5P 0.663551 0.962025
20 GMV 0.663265 0.91358
21 G7M 0.655914 0.962025
22 Y9Z 0.650943 0.872093
23 GDR 0.64486 0.95
24 GFB 0.64486 0.95
25 GAV 0.637255 0.902439
26 GKE 0.635514 0.925926
27 GDD 0.635514 0.925926
28 GDC 0.635514 0.925926
29 GP2 0.632653 0.902439
30 JB2 0.627273 0.95
31 GKD 0.627273 0.925926
32 6CK 0.623853 0.903614
33 GPD 0.621622 0.915663
34 G2P 0.617647 0.902439
35 NGD 0.617391 0.974684
36 GPG 0.613208 0.95
37 YGP 0.611111 0.892857
38 GDX 0.607143 0.9375
39 CAG 0.6 0.917647
40 ALF 5GP 0.598039 0.858824
41 JB3 0.594828 0.938272
42 ALF GDP 0.579439 0.858824
43 GDP ALF 0.579439 0.858824
44 GDP AF3 0.579439 0.858824
45 TPG 0.571429 0.855556
46 0O2 0.568807 0.924051
47 2MD 0.561983 0.862069
48 FEG 0.55 0.894118
49 MGD 0.548387 0.862069
50 GMP 0.548387 0.825
51 ZGP 0.545455 0.883721
52 G G 0.54386 0.962025
53 MD1 0.543307 0.862069
54 G3D 0.542056 0.924051
55 CG2 0.540984 0.903614
56 MG7 0.537634 0.8625
57 U2G 0.53719 0.903614
58 G4P 0.53211 0.924051
59 PGD 0.53125 0.892857
60 G1G 0.527559 0.9875
61 AKW 0.52459 0.951219
62 DBG 0.523077 0.938272
63 GH3 0.522936 0.9125
64 FE9 0.511628 0.791667
65 DGT 0.504587 0.86747
66 3GP 0.5 0.8875
67 G4M 0.496403 0.895349
68 GPX 0.486726 0.8875
69 GCP G 0.482759 0.8875
70 BGO 0.47619 0.9625
71 A G 0.472868 0.949367
72 AJQ 0.472441 0.951219
73 2GP 0.471154 0.9
74 U A G G 0.469231 0.949367
75 MGO 0.468468 0.879518
76 DGI 0.46789 0.86747
77 G1R G1R 0.466667 0.938272
78 GGM 0.465116 0.939024
79 IDP 0.462963 0.911392
80 G A A A 0.461538 0.9375
81 R7I 0.459459 0.8875
82 R5I 0.459459 0.8875
83 PGD O 0.452555 0.844444
84 MGQ 0.439655 0.95
85 P2G 0.435185 0.829268
86 BA3 0.433962 0.886076
87 GPC 0.432836 0.850575
88 AP5 0.429907 0.886076
89 B4P 0.429907 0.886076
90 MGV 0.428571 0.904762
91 G U 0.427481 0.891566
92 P1G 0.427273 0.819277
93 DGP 0.425926 0.855422
94 DG 0.425926 0.855422
95 G C 0.421053 0.891566
96 G2Q 0.420168 0.902439
97 IMP 0.416667 0.898734
98 01G 0.414634 0.872093
99 AQP 0.414414 0.886076
100 5FA 0.414414 0.886076
101 A4P 0.412214 0.862069
102 HFD 0.40708 0.843373
103 HEJ 0.405405 0.886076
104 ATP 0.405405 0.886076
105 G G G C 0.402878 0.926829
106 A2D 0.401869 0.886076
107 G G G RPC 0.4 0.890244
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ABU; Ligand: GTG; Similar sites found with APoc: 69
This union binding pocket(no: 1) in the query (biounit: 5abu.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2NNQ T4B None
2 1A5Z NAD 2.17391
3 1D1T NAD 2.71739
4 4GKV NAD 2.71739
5 1C1X NAD 3.26087
6 4H6Q TFB 3.80435
7 4H6Q FAD 3.80435
8 5IN4 GDP 4.34783
9 3A2Y TS5 4.34783
10 5FEU NAP 4.34783
11 1PL6 572 5.43478
12 1PL6 NAD 5.43478
13 3U4C NDP 5.43478
14 2VK4 TPP 5.43478
15 2P0D I3P 5.71429
16 1ZEM NAD 5.71429
17 1CDO NAD 5.71429
18 5Z2F NAP 6.52174
19 3COW 52H 6.52174
20 5K04 COA 6.52174
21 1RYD NDP 7.06522
22 4HXY NDP 7.14286
23 3EEL 53T 7.14286
24 4RSL FAD 7.14286
25 1A4R GNH 7.14286
26 1A4R GDP 7.14286
27 1NF3 GNP 7.14286
28 5B47 PYR 7.6087
29 5MJI 7O6 7.6087
30 3RT4 LP5 8.18713
31 5VN0 NAI 8.57143
32 1U1I NAD 8.57143
33 1U70 MTX 8.57143
34 1U70 NDP 8.57143
35 4HK8 XYP XYP XYP XYP XYP XYP 8.57143
36 4CS9 AMP 8.57143
37 5X8G S0N 8.57143
38 2FR1 NDP 8.57143
39 3WDM ADN 8.69565
40 1PZG A3D 9.23913
41 2X3F APC 9.23913
42 4PLT OXM 10
43 4PLT NAI 10
44 2G37 FAD 10
45 5A9A UTP 10
46 1SAY PYR 10
47 5M42 FMN 10
48 4NON GDP 10
49 2RAB NAD 10.8696
50 3VPH OXM 11.4286
51 2HJR APR 11.4286
52 6A0S NDP 11.4286
53 6A0S HSE 11.4286
54 3VPH NAD 11.4286
55 1MDB AMP DBH 11.4286
56 5ML3 DL3 14.094
57 5AE2 FAD 14.2857
58 5AE2 FYC 14.2857
59 1GWN GTP 14.2857
60 3O84 HTJ 15.2174
61 2RL1 UD1 17.1429
62 3KFL ME8 18.5714
63 1J5P NAD 20
64 5U8U FAD 21.4286
65 5V49 8WA 21.4286
66 1GRN GDP 21.4286
67 3TKY SAH 22.8571
68 4NMC FAD 28.5714
69 5B48 TDN 31.4286
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