Receptor
PDB id Resolution Class Description Source Keywords
3M1I 2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF YEAST CRM1 (XPO1P) IN COMPLEX WITH YEAS (YRB1P) AND YEAST RANGTP (GSP1PGTP) SACCHAROMYCES CEREVISIAE HEAT REPEAT EXPORTIN GTP-BINDING NUCLEOTIDE-BINDING NUCLPROTEIN TRANSPORT TRANSPORT GTPASE ACTIVATION
Ref.: AN ALLOSTERIC MECHANISM TO DISPLACE NUCLEAR EXPORT FROM CRM1 AND RANGTP BY RANBP1 EMBO J. V. 29 2002 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTP A:1177;
Valid;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
MG A:1178;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3M1I 2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF YEAST CRM1 (XPO1P) IN COMPLEX WITH YEAS (YRB1P) AND YEAST RANGTP (GSP1PGTP) SACCHAROMYCES CEREVISIAE HEAT REPEAT EXPORTIN GTP-BINDING NUCLEOTIDE-BINDING NUCLPROTEIN TRANSPORT TRANSPORT GTPASE ACTIVATION
Ref.: AN ALLOSTERIC MECHANISM TO DISPLACE NUCLEAR EXPORT FROM CRM1 AND RANGTP BY RANBP1 EMBO J. V. 29 2002 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 3M1I - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4HB0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 4HAU - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
3 4GPT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
4 4HAZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
5 5JLJ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
6 4HB4 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
7 4HB2 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
8 4HAW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
9 4HAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
10 4HAV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
11 4HAX - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
12 4WVF - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
13 4HAT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
14 3M1I - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4HB0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 4HAU - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
3 4GPT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
4 4HAZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
5 5JLJ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
6 4HB4 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
7 4HB2 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
8 4HAW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
9 4HAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
10 4HAV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
11 4HAX - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
12 4WVF - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
13 4HAT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
14 3M1I - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTP; Similar ligands found: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 GTP 1 1
2 GP3 0.921053 0.973684
3 GDP 0.909091 1
4 GSP 0.853659 0.948718
5 GNH 0.82716 0.986667
6 G1R 0.819277 0.986667
7 GAV 0.811765 0.961039
8 9GM 0.809524 0.973684
9 GNP 0.809524 0.973684
10 GCP 0.797619 0.973684
11 5GP 0.797468 0.986486
12 G 0.797468 0.986486
13 GMV 0.764706 0.973684
14 G2R 0.764045 0.961039
15 G5P 0.755319 0.973684
16 GTG 0.752688 0.936709
17 G2P 0.747126 0.961039
18 G3A 0.744681 0.973684
19 GDD 0.741935 0.961039
20 GDC 0.741935 0.961039
21 GKE 0.741935 0.961039
22 0O2 0.736264 0.986486
23 GP2 0.729412 0.961039
24 6CK 0.726316 0.936709
25 Y9Z 0.723404 0.902439
26 GPG 0.717391 0.961039
27 GFB 0.715789 0.961039
28 GDR 0.715789 0.961039
29 GPD 0.704082 0.925
30 GKD 0.693878 0.961039
31 JB2 0.693878 0.961039
32 GDX 0.686869 0.973684
33 ALF 5GP 0.685393 0.888889
34 GH3 0.681319 0.973333
35 YGP 0.677083 0.901235
36 G3D 0.67033 0.986486
37 GDP AF3 0.659574 0.888889
38 ALF GDP 0.659574 0.888889
39 GDP ALF 0.659574 0.888889
40 DGT 0.659341 0.923077
41 GMP 0.658228 0.88
42 G4P 0.655914 0.986486
43 JB3 0.653846 0.948718
44 NGD 0.647619 0.961039
45 CAG 0.642202 0.880952
46 2MD 0.62963 0.891566
47 MGP 0.619565 0.961039
48 U2G 0.616822 0.936709
49 6G0 0.612903 0.961039
50 MGD 0.612613 0.891566
51 TPG 0.608696 0.840909
52 CG2 0.605505 0.936709
53 GDP 7MG 0.601942 0.911392
54 FEG 0.601852 0.879518
55 G G 0.598039 0.948052
56 ZGP 0.59633 0.869048
57 PGD 0.591304 0.925
58 MD1 0.591304 0.891566
59 3GP 0.590909 0.946667
60 GPX 0.581633 0.946667
61 DGI 0.580645 0.923077
62 IDP 0.576087 0.972973
63 DBG 0.567797 0.948718
64 2GP 0.555556 0.96
65 FE9 0.555556 0.776596
66 G4M 0.547619 0.880952
67 BGO 0.544643 0.924051
68 GCP G 0.543689 0.921053
69 ATP 0.537634 0.92
70 HEJ 0.537634 0.92
71 G1G 0.533898 0.925
72 AQP 0.531915 0.92
73 5FA 0.531915 0.92
74 A G 0.525862 0.935065
75 G A A A 0.525862 0.923077
76 U A G G 0.521368 0.935065
77 HFD 0.520833 0.873418
78 R5I 0.520408 0.946667
79 R7I 0.520408 0.946667
80 01G 0.518868 0.902439
81 P2G 0.510638 0.883117
82 ITT 0.510638 0.868421
83 AKW 0.504348 0.890244
84 GGM 0.504274 0.901235
85 G1R G1R 0.504065 0.924051
86 DGP 0.5 0.910256
87 PGD O 0.5 0.850575
88 MGO 0.5 0.864198
89 DG 0.5 0.910256
90 P1G 0.5 0.871795
91 GTA 0.495495 0.936709
92 PRT 0.490741 0.959459
93 B4P 0.489362 0.894737
94 AP5 0.489362 0.894737
95 IMP 0.489362 0.959459
96 G U 0.487179 0.9
97 7DT 0.484536 0.906667
98 GPC 0.479339 0.879518
99 G C 0.478992 0.9
100 BA3 0.478723 0.894737
101 ADP 0.473684 0.92
102 G2Q 0.471698 0.961039
103 6YZ 0.470588 0.896104
104 G7M 0.46875 0.948052
105 C1Z 0.462963 0.986486
106 25L 0.458716 0.907895
107 A2D 0.457447 0.894737
108 RGT 0.45045 0.909091
109 AGS 0.45 0.873418
110 SAP 0.45 0.873418
111 SGP 0.44898 0.82716
112 A4P 0.445378 0.869048
113 G G G RPC 0.442623 0.875
114 ANP 0.441176 0.896104
115 ACQ 0.441176 0.896104
116 8GT 0.441176 0.875
117 APC G U 0.44 0.886076
118 AT4 0.438776 0.884615
119 G U34 0.438017 0.888889
120 6AD 0.436893 0.841463
121 G G G C 0.433071 0.9125
122 UP5 0.432203 0.873418
123 PCG 0.431373 0.933333
124 C2E 0.431373 0.921053
125 35G 0.431373 0.933333
126 A G C C 0.429688 0.911392
127 T99 0.427184 0.884615
128 5GP 5GP 0.427184 0.883117
129 TAT 0.427184 0.884615
130 AR6 0.425743 0.894737
131 APR 0.425743 0.894737
132 7DD 0.424242 0.906667
133 AN2 0.424242 0.907895
134 DG DG 0.423423 0.865854
135 AD9 0.421569 0.896104
136 M33 0.42 0.883117
137 7D4 0.42 0.835443
138 UCG 0.419847 0.911392
139 HDV 0.419048 0.825
140 H6Y 0.419048 0.946667
141 G C C C 0.416667 0.924051
142 ACP 0.415842 0.896104
143 T5A 0.414634 0.802326
144 A1R 0.412844 0.839506
145 ADQ 0.412844 0.871795
146 MGQ 0.412844 0.935897
147 A3R 0.412844 0.839506
148 MGT 0.411215 0.823529
149 A G U 0.410072 0.888889
150 93A 0.41 0.833333
151 A22 0.407407 0.907895
152 CA0 0.405941 0.896104
153 ATF 0.40566 0.884615
154 AGO 0.404762 0.888889
155 MGV 0.401786 0.890244
156 CGP 0.4 0.86747
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3M1I; Ligand: GTP; Similar sites found with APoc: 164
This union binding pocket(no: 1) in the query (biounit: 3m1i.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2C77 GNP 3.45679
2 2C78 GNP 3.45679
3 5W7Q GDP 3.48525
4 1KK1 GNP 4.56621
5 2AWN ADP 5.02283
6 2RCN GDP 5.2356
7 3MD0 GDP 5.47945
8 5W75 GDP 5.61225
9 5FG3 GDP 6.39269
10 4J0Q GDP 6.80628
11 4RD0 GDP 7.76256
12 1YRB GDP 7.8534
13 4LC1 GDP 8.01187
14 3CNL GNP 8.21918
15 5M04 GDP 8.33333
16 3U6B GDP 8.37696
17 2BVN GNP 8.37696
18 1D8T GDP 8.37696
19 5JBQ GDP 8.37696
20 4G5G GDP 8.37696
21 3U6K GDP 8.37696
22 2QN6 GDP 8.60215
23 2HCJ GDP 8.90052
24 1NRJ GTP 9.49367
25 4P3Y GDP 12.0879
26 3W5J GDP 12.7451
27 4NCN GTP 12.7854
28 4TMZ GSP 12.7854
29 1FQK ALF 12.9252
30 1SKQ GDP 13.089
31 2XTZ GSP 13.6126
32 4DCT GDP 15.5251
33 2WJG GDP 16.4894
34 5HCN GCP 16.895
35 5W76 GDP 16.895
36 1MKY GDP 18.2648
37 2X77 GDP 19.5767
38 3AQ4 GDP 20.6522
39 4M9Q GNP 21.0046
40 1FQJ ALF 21.4286
41 1UPT GTP 22.2222
42 2A5F GTP 22.8571
43 1RE0 GDP 23.1707
44 1F6B GDP 23.2323
45 2WIC GNP 23.2877
46 3PCR GTP 24.0741
47 3WYA GDP 24.0838
48 1J2J GTP 24.0964
49 2J59 GTP 24.0964
50 1O3Y GTP 24.0964
51 3N5C GDP 24.6914
52 4KAX GTP 24.8521
53 4GOJ GNP 25.9259
54 1YZG GDP 28.4916
55 2WKQ GTP 28.7671
56 1KSH GDP 29.0323
57 5JCP GDP ALF 29.2237
58 4BAS GNP 29.6482
59 2J0V GDP 29.717
60 1ZJ6 G3D 30.4813
61 4B47 GDP 31.0502
62 4DID GDP 31.0881
63 2GCO GNP 31.8408
64 1RYH GNP 32.5123
65 5UPK GNP 32.973
66 1OW3 GDP 33.1606
67 5DI3 GNP 33.5135
68 3SBD GNP 33.6898
69 6BCB GSP 34.0541
70 6BCA GSP 34.0541
71 2W2X GSP 34.0541
72 4D0N GDP 34.0541
73 3LXR GDP 34.0541
74 6BC0 GSP 34.0541
75 1CXZ GSP 34.0659
76 1A4R GNH 34.555
77 1A4R GDP 34.555
78 5HPY GDP 34.5946
79 2W83 GTP 35.0649
80 1GRN GDP 35.0785
81 1GRN AF3 35.0785
82 5XC5 GTP 35.2273
83 2WMO GTP 35.2632
84 4ZI2 GNP 35.2632
85 1KMQ GNP 35.3261
86 1NF3 GNP 35.3846
87 2FJU GSP 35.3933
88 4XSH GSP 35.7542
89 4XOI GTP 36.1111
90 1TX4 ALF GDP 36.1582
91 5IRC GDP 37.6344
92 5YT0 GDP 38.0952
93 3T5G GDP 38.1215
94 4YC7 GNP 38.1215
95 1ZD9 GDP 39.3617
96 1R4A GNP 39.3939
97 5EE5 GTP 39.7661
98 3WY9 GDP 40.625
99 4DKX GDP 41.6667
100 5OCG GNP 41.7989
101 5UQW GDP 41.7989
102 3BC1 GNP 42.0513
103 2BCG GDP 42.233
104 2G77 GDP 42.4242
105 5TB5 GDP 43.2432
106 5TAR GDP 43.2432
107 1OIX GDP 43.4555
108 2CJW GDP 43.75
109 5SZH GNP 43.8424
110 1VG8 GNP 43.9614
111 1VG0 GDP 43.9614
112 4U5X GNP 44.9438
113 3TKL GTP 45.4082
114 2EW1 GNP 45.7711
115 3RWO GDP 45.9459
116 1Z06 GNP 46.0317
117 6FA4 GNP 46.2428
118 4LX0 BEF GDP 46.3277
119 2A9K GDP 46.5241
120 3Q85 GNP 46.7456
121 5O2T GSP 46.7456
122 3Q72 GNP 46.988
123 1YZN GNP 47.027
124 5LEF GTP 47.1204
125 4C4P GNP 47.3988
126 5OEC GDP 47.541
127 5WLB GNP 47.5904
128 5WDR GNP 47.9532
129 2C5L GTP 47.9769
130 2UZI GTP 48.1928
131 1Z0J GTP 48.2353
132 2HV8 GTP 48.2558
133 2HT6 GDP 48.2759
134 6BVJ GNP 48.503
135 6BVL GNP 48.503
136 6BVM GNP 48.503
137 6BVK GNP 48.503
138 6D5E GNP 48.503
139 6BVI GNP 48.503
140 6D59 GNP 48.503
141 6D5H GNP 48.503
142 6D56 GNP 48.503
143 6D5L GNP 48.503
144 6D55 GNP 48.503
145 6D5J GNP 48.503
146 6D5V GNP 48.503
147 6D5M GNP 48.503
148 6D5G GNP 48.503
149 1LFD GNP 48.503
150 3SFV GDP 48.6188
151 2A5J GDP 48.6911
152 1NVV GNP 48.7952
153 3KUD GDP 48.7952
154 1WQ1 GDP 48.7952
155 1WQ1 AF3 48.7952
156 1KY3 GDP 48.9011
157 2D7C GTP 49.1018
158 1YVD GNP 49.1124
159 1VG1 GDP 49.1892
160 1VG9 GDP 49.1892
161 3DDC GNP 49.3976
162 5O74 GDP 49.4444
163 2FFQ GSP 49.7076
164 1UAD GNP 49.7143
165 3QBT GNP 50
166 4LHW GNP 50
167 3TNF GNP 50
168 3E5H GNP 50
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