Receptor
PDB id Resolution Class Description Source Keywords
1N52 2.11 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CAP BINDING COMPLEX HOMO SAPIENS CBP80 CBP20 RNP DOMAIN CAP BINDING PROTEIN M7GPPPG RNA PROTEIN
Ref.: STRUCTURAL BASIS OF M7GPPPG BINDING TO THE NUCLEAR CAP-BINDING PROTEIN COMPLEX. NAT.STRUCT.BIOL. V. 9 912 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1555;
A:1556;
A:1557;
A:1560;
A:1561;
A:1564;
A:1565;
A:1566;
A:1569;
A:1572;
A:1573;
B:1558;
B:1568;
B:1570;
B:1571;
B:1574;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
GTG B:2137;
Valid;
none;
submit data
803.44 C21 H30 N10 O18 P3 C[n+]...
MG A:6000;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
PG4 A:3000;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H2T 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF THE HUMAN NUCLEAR CAP-BINDING-COMPLEX (CBC) IN WITH A CAP ANALOGUE M7GPPPG HOMO SAPIENS M7GCAP CAP-BINDING-COMPLEX RNP DOMAIN MIF4G DOMAIN RNA MATURATION RNA EXPORT NUCLEAR PROTEIN RNA-BINDING
Ref.: LARGE-SCALE INDUCED FIT RECOGNITION OF AN M(7)GPPPG ANALOGUE BY THE HUMAN NUCLEAR CAP-BINDING COMPLEX EMBO J. V. 21 5548 2002
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 309 families.
1 1H2T Kd ~ 13 nM GDP 7MG n/a n/a
2 1H2U Kd ~ 13 nM GDP 7MG n/a n/a
3 1N52 - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1H2T Kd ~ 13 nM GDP 7MG n/a n/a
2 1H2U Kd ~ 13 nM GDP 7MG n/a n/a
3 1N52 - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 1H2T Kd ~ 13 nM GDP 7MG n/a n/a
2 1H2U Kd ~ 13 nM GDP 7MG n/a n/a
3 1N52 - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTG; Similar ligands found: 111
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 6G0 0.752688 0.974684
5 GTP 0.752688 0.936709
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 GNP 0.683673 0.91358
14 9GM 0.683673 0.91358
15 G3A 0.669811 0.962025
16 G2R 0.666667 0.902439
17 G 0.666667 0.924051
18 5GP 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 GDC 0.635514 0.925926
28 GDD 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 KB7 0.563107 0.8
48 2MD 0.561983 0.862069
49 FEG 0.55 0.894118
50 MGD 0.548387 0.862069
51 GMP 0.548387 0.825
52 ZGP 0.545455 0.883721
53 G G 0.54386 0.962025
54 MD1 0.543307 0.862069
55 G3D 0.542056 0.924051
56 CG2 0.540984 0.903614
57 MG7 0.537634 0.8625
58 U2G 0.53719 0.903614
59 G4P 0.53211 0.924051
60 PGD 0.53125 0.892857
61 G1G 0.527559 0.9875
62 AKW 0.52459 0.951219
63 DBG 0.523077 0.938272
64 GH3 0.522936 0.9125
65 KBD 0.513274 0.821429
66 FE9 0.511628 0.791667
67 DGT 0.504587 0.86747
68 3GP 0.5 0.8875
69 G4M 0.496403 0.895349
70 KBJ 0.495726 0.793103
71 GPX 0.486726 0.8875
72 GCP G 0.482759 0.8875
73 BGO 0.47619 0.9625
74 A G 0.472868 0.949367
75 AJQ 0.472441 0.951219
76 2GP 0.471154 0.9
77 U A G G 0.469231 0.949367
78 MGO 0.468468 0.879518
79 DGI 0.46789 0.86747
80 G1R G1R 0.466667 0.938272
81 GGM 0.465116 0.939024
82 IDP 0.462963 0.911392
83 G A A A 0.461538 0.9375
84 R5I 0.459459 0.8875
85 R7I 0.459459 0.8875
86 PGD O 0.452555 0.844444
87 MGQ 0.439655 0.95
88 P2G 0.435185 0.829268
89 BA3 0.433962 0.886076
90 GPC 0.432836 0.850575
91 AP5 0.429907 0.886076
92 B4P 0.429907 0.886076
93 MGV 0.428571 0.904762
94 G U 0.427481 0.891566
95 P1G 0.427273 0.819277
96 DG 0.425926 0.855422
97 DGP 0.425926 0.855422
98 G C 0.421053 0.891566
99 G2Q 0.420168 0.902439
100 IMP 0.416667 0.898734
101 01G 0.414634 0.872093
102 5FA 0.414414 0.886076
103 AQP 0.414414 0.886076
104 A4P 0.412214 0.862069
105 JSQ 0.40708 0.843373
106 HFD 0.40708 0.843373
107 ATP 0.405405 0.886076
108 HEJ 0.405405 0.886076
109 G G G C 0.402878 0.926829
110 A2D 0.401869 0.886076
111 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 : 1H2T; Ligand: GDP 7MG; 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: 1h2t.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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