Receptor
PDB id Resolution Class Description Source Keywords
5CLL 2.45 Å EC: 6.3.2.- TRUNCATED RAN WILD TYPE IN COMPLEX WITH GDP-BEF AND RANBD1 HOMO SAPIENS GTPASE NUCLEAR TRANSPORT HYDROLASE RAN BINDING PROTEIN
Ref.: CATALYSIS OF GTP HYDROLYSIS BY SMALL GTPASES AT ATO DETAIL BY INTEGRATION OF X-RAY CRYSTALLOGRAPHY, EXPERIMENTAL, AND THEORETICAL IR SPECTROSCOPY. J.BIOL.CHEM. V. 290 24079 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:202;
C:202;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
GDP BEF A:200;
C:200;
 Valid;
Valid;
 none;
none;
 submit data
507.192 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CLL 2.45 Å EC: 6.3.2.- TRUNCATED RAN WILD TYPE IN COMPLEX WITH GDP-BEF AND RANBD1 HOMO SAPIENS GTPASE NUCLEAR TRANSPORT HYDROLASE RAN BINDING PROTEIN
Ref.: CATALYSIS OF GTP HYDROLYSIS BY SMALL GTPASES AT ATO DETAIL BY INTEGRATION OF X-RAY CRYSTALLOGRAPHY, EXPERIMENTAL, AND THEORETICAL IR SPECTROSCOPY. J.BIOL.CHEM. V. 290 24079 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 5CLL - GDP BEF n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 5CLL - GDP BEF n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 5CLL - GDP BEF n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GDP BEF; Similar ligands found: 107
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP BEF 1 1
2 GTP MG 0.865854 0.973333
3 GDP AF3 0.825581 0.925
4 GDP ALF 0.825581 0.925
5 ALF 5GP 0.776471 0.925
6 GDP 7MG 0.747368 0.924051
7 5GP 0.743902 0.947368
8 G 0.743902 0.947368
9 GDP 0.741176 0.935065
10 GP3 0.729412 0.911392
11 GNH 0.712644 0.923077
12 GP2 0.701149 0.9
13 GTP 0.696629 0.935065
14 G1R 0.688889 0.923077
15 GCP 0.688889 0.911392
16 9GM 0.681319 0.911392
17 G2P 0.681319 0.9
18 GSP 0.681319 0.888889
19 GNP 0.681319 0.911392
20 GMV 0.677778 0.935897
21 GAV 0.666667 0.9
22 G2R 0.645833 0.9
23 GMP 0.62963 0.844156
24 PGD O 0.626087 0.820225
25 GPG 0.622449 0.9
26 YGP 0.62 0.86747
27 G1R G1R 0.617391 0.9125
28 GKE 0.613861 0.9
29 GDC 0.613861 0.9
30 GDD 0.613861 0.9
31 Y9Z 0.613861 0.847059
32 GFB 0.607843 0.9
33 GTG 0.607843 0.901235
34 GDR 0.607843 0.9
35 KB7 0.602151 0.817073
36 G3A 0.601942 0.911392
37 6CK 0.601942 0.878049
38 G5P 0.596154 0.911392
39 JB2 0.590476 0.9
40 GKD 0.590476 0.9
41 GPD 0.584906 0.86747
42 GDX 0.584906 0.911392
43 I2C FE2 CMO CMO 0.577586 0.840909
44 G3D 0.57732 0.922078
45 3GP 0.566667 0.909091
46 G4P 0.565657 0.922078
47 BEF ADP 0.56383 0.907895
48 JB3 0.558559 0.888889
49 NGD 0.553571 0.924051
50 U2G 0.553571 0.878049
51 FEG 0.553571 0.847059
52 2MD 0.552632 0.837209
53 ZGP 0.548673 0.837209
54 CG2 0.54386 0.878049
55 0O2 0.543689 0.922078
56 KBD 0.543689 0.817073
57 CAG 0.538462 0.848837
58 MGD 0.538462 0.837209
59 MD1 0.533333 0.837209
60 G C 0.525862 0.9125
61 KBJ 0.523364 0.788235
62 2GP 0.516129 0.897436
63 FE9 0.512397 0.787234
64 PGD 0.508197 0.86747
65 DBG 0.5 0.888889
66 TPG 0.5 0.791209
67 M7G A2M G 0.489655 0.820225
68 GPX 0.485714 0.884615
69 GH3 0.480769 0.910256
70 DGI 0.48 0.864198
71 AKW 0.474576 0.857143
72 BGO 0.474576 0.865854
73 P2G 0.474227 0.848101
74 G4M 0.473684 0.827586
75 APC G U 0.472 0.898734
76 P1G 0.464646 0.8375
77 DGP 0.463918 0.875
78 DG 0.463918 0.875
79 DGT 0.461538 0.864198
80 IDP 0.46 0.909091
81 ADP PO3 0.46 0.881579
82 ATP MG 0.46 0.881579
83 VO4 ADP 0.456311 0.884615
84 IMP 0.453608 0.921053
85 GGM 0.45082 0.845238
86 ADP BEF 0.44898 0.881579
87 ADP MG 0.44898 0.881579
88 G1G 0.444444 0.890244
89 ALF ADP 0.442308 0.839506
90 5GP 5GP 0.436893 0.896104
91 G7M 0.434343 0.935897
92 QBQ 0.432692 0.922078
93 SGP 0.43 0.795181
94 R7I 0.428571 0.884615
95 R5I 0.428571 0.884615
96 GPC 0.428571 0.847059
97 C2E 0.427184 0.884615
98 PCG 0.427184 0.896104
99 35G 0.427184 0.896104
100 OMC OMU OMG OMG U 0.421429 0.879518
101 ANP MG 0.415094 0.848101
102 MGP 0.415094 0.924051
103 ADP BMA 0.414414 0.8375
104 GTP 5GP 0.411765 0.910256
105 6G0 0.411215 0.924051
106 4TA 0.401575 0.781609
107 3PD UM3 0.4 0.855422
Similar Ligands (3D)
Ligand no: 1; Ligand: GDP BEF; Similar ligands found: 20
No: Ligand Similarity coefficient
1 BEF GDP 0.9963
2 ALF GDP 0.9762
3 ANP 0.9732
4 ADP 0.9644
5 ATP 0.9621
6 DTP 0.9613
7 ACP 0.9527
8 GDP MG 0.9507
9 AGS 0.9444
10 ADP AF3 0.9370
11 ADP ALF 0.9183
12 M7G 0.9094
13 UTP 0.9026
14 ATF 0.9008
15 CTP 0.8953
16 G8D 0.8791
17 AMO 0.8707
18 AU1 0.8684
19 DSZ 0.8647
20 MGT 0.8600
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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