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 308 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 266 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 220 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 (2D)
Ligand no: 1; Ligand: GTG; Similar ligands found: 108
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 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 GFB 0.64486 0.95
24 GDR 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 GDP BEF 0.607843 0.901235
39 GDX 0.607143 0.9375
40 GTP MG 0.601942 0.924051
41 CAG 0.6 0.917647
42 ALF 5GP 0.598039 0.858824
43 JB3 0.594828 0.938272
44 GDP AF3 0.579439 0.858824
45 GDP ALF 0.579439 0.858824
46 TPG 0.571429 0.855556
47 0O2 0.568807 0.924051
48 KB7 0.563107 0.8
49 2MD 0.561983 0.862069
50 FEG 0.55 0.894118
51 MGD 0.548387 0.862069
52 GMP 0.548387 0.825
53 ZGP 0.545455 0.883721
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 QBQ 0.504673 0.924051
68 DGT 0.504587 0.86747
69 3GP 0.5 0.8875
70 G4M 0.496403 0.895349
71 KBJ 0.495726 0.793103
72 I2C FE2 CMO CMO 0.48855 0.824176
73 GPX 0.486726 0.8875
74 BGO 0.47619 0.9625
75 AJQ 0.472441 0.951219
76 2GP 0.471154 0.9
77 MGO 0.468468 0.879518
78 DGI 0.46789 0.86747
79 G1R G1R 0.466667 0.938272
80 GGM 0.465116 0.939024
81 IDP 0.462963 0.911392
82 R5I 0.459459 0.8875
83 R7I 0.459459 0.8875
84 CZF 0.454545 0.875
85 PGD O 0.452555 0.844444
86 MGQ 0.439655 0.95
87 P2G 0.435185 0.829268
88 BA3 0.433962 0.886076
89 GPC 0.432836 0.850575
90 B4P 0.429907 0.886076
91 AP5 0.429907 0.886076
92 MGV 0.428571 0.904762
93 P1G 0.427273 0.819277
94 DG 0.425926 0.855422
95 DGP 0.425926 0.855422
96 G C 0.421053 0.891566
97 G2Q 0.420168 0.902439
98 IMP 0.416667 0.898734
99 01G 0.414634 0.872093
100 AQP 0.414414 0.886076
101 5FA 0.414414 0.886076
102 A4P 0.412214 0.862069
103 HFD 0.40708 0.843373
104 JSQ 0.40708 0.843373
105 HEJ 0.405405 0.886076
106 ATP 0.405405 0.886076
107 A2D 0.401869 0.886076
108 APC G U 0.4 0.901235
Similar Ligands (3D)
Ligand no: 1; Ligand: GTG; Similar ligands found: 0
No: Ligand Similarity coefficient
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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