Receptor
PDB id Resolution Class Description Source Keywords
5UWQ 2.28 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF CDC7 NES PEPTIDE IN COMPLEX WITH CRM1-R HOMO SAPIENS HEAT REPEAT NES NUCLEAR EXPORT KARYOPHERIN PROTEIN TRANS
Ref.: NUCLEAR EXPORT RECEPTOR CRM1 RECOGNIZES DIVERSE CONFORMATIONS IN NUCLEAR EXPORT SIGNALS. ELIFE V. 6 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL C:1102;
A:303;
C:1103;
C:1101;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
GNP A:301;
Valid;
none;
submit data
522.196 C10 H17 N6 O13 P3 c1nc2...
MG A:302;
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
5UWQ 2.28 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF CDC7 NES PEPTIDE IN COMPLEX WITH CRM1-R HOMO SAPIENS HEAT REPEAT NES NUCLEAR EXPORT KARYOPHERIN PROTEIN TRANS
Ref.: NUCLEAR EXPORT RECEPTOR CRM1 RECOGNIZES DIVERSE CONFORMATIONS IN NUCLEAR EXPORT SIGNALS. ELIFE V. 6 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 309 families.
1 5UWQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 5UWQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 5UWR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 5UWQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 5UWR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GNP; Similar ligands found: 137
No: Ligand ECFP6 Tc MDL keys Tc
1 9GM 1 1
2 GNP 1 1
3 GDP 0.839506 0.973684
4 GP3 0.82716 0.948718
5 GTP 0.809524 0.973684
6 GNH 0.807229 0.986842
7 GCP 0.77907 0.948718
8 G1R 0.77907 0.961039
9 GSP 0.770115 0.925
10 5GP 0.756098 0.960526
11 G 0.756098 0.960526
12 G2R 0.747253 0.936709
13 GMV 0.747126 0.948718
14 GAV 0.714286 0.936709
15 GP2 0.712644 0.936709
16 G2P 0.711111 0.936709
17 Y9Z 0.708333 0.880952
18 GDD 0.690722 0.936709
19 GKE 0.690722 0.936709
20 GDC 0.690722 0.936709
21 G5P 0.686869 0.948718
22 GPG 0.684211 0.936709
23 GFB 0.683673 0.936709
24 GDR 0.683673 0.936709
25 GTG 0.683673 0.91358
26 JB2 0.68 0.936709
27 GKD 0.68 0.936709
28 6CK 0.676768 0.91358
29 G3A 0.676768 0.948718
30 GDX 0.673267 0.948718
31 ALF 5GP 0.67033 0.86747
32 YGP 0.663265 0.879518
33 GPD 0.656863 0.902439
34 GDP AF3 0.645833 0.86747
35 GDP ALF 0.645833 0.86747
36 ALF GDP 0.645833 0.86747
37 JB3 0.641509 0.925
38 DBG 0.640351 0.974359
39 G3D 0.638298 0.960526
40 G4P 0.625 0.960526
41 GMP 0.621951 0.857143
42 NGD 0.62037 0.936709
43 GGM 0.618182 0.925926
44 0O2 0.616162 0.960526
45 KB7 0.612903 0.807229
46 2MD 0.603604 0.870588
47 CAG 0.60177 0.904762
48 FEG 0.590909 0.858824
49 U2G 0.590909 0.91358
50 GDP 7MG 0.590476 0.888889
51 MGD 0.587719 0.870588
52 G G 0.586538 0.924051
53 ZGP 0.585586 0.848837
54 CG2 0.580357 0.91358
55 KBD 0.568627 0.807229
56 ANP 0.568421 0.922078
57 PGD 0.567797 0.902439
58 MD1 0.567797 0.870588
59 3GP 0.56044 0.922078
60 TPG 0.558333 0.822222
61 GH3 0.55 0.948052
62 KBJ 0.54717 0.77907
63 FE9 0.546219 0.778947
64 GPX 0.539216 0.922078
65 G4M 0.539062 0.860465
66 DGI 0.536082 0.9
67 BGO 0.535088 0.901235
68 IDP 0.53125 0.947368
69 DGT 0.53 0.9
70 2GP 0.526882 0.935065
71 G1R G1R 0.520325 0.901235
72 GCP G 0.518868 0.897436
73 A G 0.516949 0.911392
74 U A G G 0.512605 0.911392
75 AGO 0.504202 0.91358
76 G A A A 0.504202 0.9
77 G1G 0.5 0.902439
78 P2G 0.5 0.860759
79 R7I 0.49505 0.922078
80 R5I 0.49505 0.922078
81 MGP 0.49505 0.936709
82 PGD O 0.492063 0.831461
83 6G0 0.490196 0.936709
84 P1G 0.489796 0.85
85 AKW 0.483051 0.869048
86 DG 0.474227 0.8875
87 DGP 0.474227 0.8875
88 G U 0.466667 0.878049
89 IMP 0.463918 0.934211
90 G2Q 0.462963 0.936709
91 GPC 0.459677 0.858824
92 G C 0.459016 0.878049
93 GTA 0.448276 0.91358
94 G7M 0.444444 0.924051
95 MAP 0.439252 0.898734
96 G G G RPC 0.435484 0.853659
97 ADP 0.434343 0.896104
98 AP5 0.434343 0.871795
99 B4P 0.434343 0.871795
100 A2D 0.43299 0.871795
101 AT4 0.43 0.8625
102 G G G C 0.426357 0.890244
103 AU1 0.425743 0.922078
104 SGP 0.425743 0.807229
105 BA3 0.424242 0.871795
106 C2E 0.423077 0.897436
107 35G 0.423077 0.909091
108 PCG 0.423077 0.909091
109 A G C C 0.423077 0.888889
110 APC G U 0.421875 0.864198
111 HEJ 0.421569 0.896104
112 ATP 0.421569 0.896104
113 5GP 5GP 0.419048 0.860759
114 ACQ 0.419048 0.873418
115 AQP 0.417476 0.896104
116 5FA 0.417476 0.896104
117 01G 0.417391 0.880952
118 AN2 0.415842 0.909091
119 UNP 0.415842 0.810127
120 6AD 0.415094 0.821429
121 M33 0.411765 0.860759
122 ITT 0.411765 0.846154
123 G C C C 0.410448 0.901235
124 JSQ 0.409524 0.851852
125 HFD 0.409524 0.851852
126 G U34 0.408 0.86747
127 ACP 0.407767 0.873418
128 KG4 0.407767 0.873418
129 6YZ 0.407407 0.873418
130 APR 0.403846 0.871795
131 AR6 0.403846 0.871795
132 DG DG 0.403509 0.845238
133 A4P 0.403226 0.848837
134 UCG 0.402985 0.888889
135 AGS 0.4 0.851852
136 SAP 0.4 0.851852
137 AD9 0.4 0.873418
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5UWQ; Ligand: GNP; Similar sites found with APoc: 316
This union binding pocket(no: 1) in the query (biounit: 5uwq.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZKD GDP 4.21941
2 2AWN ADP 4.64135
3 2AWN ADP 4.64135
4 2AWN ADP 4.64135
5 2XTZ GSP 5.90717
6 2XTZ GSP 5.90717
7 2XTZ GSP 5.90717
8 3MD0 GDP 6.29371
9 3EC1 GDP 6.32911
10 5W7Q GDP 6.32911
11 3EC1 GDP 6.32911
12 5W75 GDP 6.99301
13 5W75 GDP 6.99301
14 5W75 GDP 6.99301
15 5W75 GDP 6.99301
16 3CNL GNP 7.63359
17 2RCN GDP 7.69231
18 2C77 GNP 7.69231
19 2C78 GNP 7.69231
20 4LC1 GDP 8.01187
21 4LC1 GDP 8.01187
22 4NON GDP 8.43882
23 1PUJ GNP 8.43882
24 3PQC GDP 8.71795
25 2WJH GDP 9.03614
26 3WY9 GDP 9.21659
27 3WY9 GDP 9.21659
28 3WYA GDP 9.21659
29 3WXM GTP 9.79021
30 3WXM GTP 9.79021
31 2WJG GDP 10.6383
32 2WJG GDP 10.6383
33 5CK5 GDP 11.3924
34 5CK5 GDP 11.3924
35 5CK5 GDP 11.3924
36 5CK5 GDP 11.3924
37 4TMZ GSP 11.8143
38 4TMZ GSP 11.8143
39 5HCN GCP 11.8143
40 3TK1 GDP 12.5874
41 3TK1 GDP 12.5874
42 5M04 GDP 13.0802
43 4J0Q GDP 13.9241
44 4J0Q GDP 13.9241
45 4J0Q GDP 13.9241
46 4J0Q GDP 13.9241
47 4J0Q GDP 13.9241
48 3U6B GDP 15.3846
49 4P3Y GDP 15.3846
50 3U6B GDP 15.3846
51 2BVN GNP 15.3846
52 2BVN GNP 15.3846
53 1D8T GDP 15.3846
54 1D8T GDP 15.3846
55 4G5G GDP 15.3846
56 5JBQ GDP 15.3846
57 3U6K GDP 15.3846
58 6IZW GSP 15.7635
59 6A8D GDP 19.7917
60 1MKY GDP 20.6751
61 3DOE GTP 20.8333
62 1UPT GTP 21.0526
63 1UPT GTP 21.0526
64 1UPT GTP 21.0526
65 1UPT GTP 21.0526
66 5W76 GDP 21.097
67 1KSH GDP 21.5054
68 1F6B GDP 21.7172
69 1F6B GDP 21.7172
70 1MR3 G3D 22.0994
71 1J2J GTP 22.2892
72 1O3Y GTP 22.2892
73 1O3Y GTP 22.2892
74 2FH5 GTP 22.7027
75 2FH5 GTP 22.7027
76 2FH5 GTP 22.7027
77 1FQK ALF 22.7273
78 1FQJ ALF 22.7273
79 1FQK ALF 22.7273
80 4KAX GTP 23.0769
81 1RE0 GDP 23.1707
82 1S9D GDP 23.1707
83 2A5F GTP 23.4286
84 3PCR GTP 24.0741
85 4DCT GDP 24.4726
86 3N5C GDP 24.6914
87 3N5C GDP 24.6914
88 2W83 GTP 24.8485
89 2W83 GTP 24.8485
90 2W83 GTP 24.8485
91 3AQ4 GDP 25
92 3AQ4 GDP 25
93 1NRJ GTP 25.2294
94 2WKQ GTP 26.5823
95 1M2O GNP 27.3684
96 1M2O GNP 27.3684
97 5JCP GDP ALF 27.8481
98 4ZI2 GNP 28.4211
99 4ZI2 GNP 28.4211
100 4GOJ GNP 28.5714
101 4GOJ GNP 28.5714
102 5EE5 GTP 28.692
103 2QTV GNP 28.7425
104 1FZQ GDP 29.2818
105 3T12 GDP ALF 29.2929
106 1YZG GDP 29.6089
107 1ZJ6 G3D 30.4813
108 1ZJ6 G3D 30.4813
109 3REF GDP 30.9278
110 6S6D GTP 31.8182
111 6S6D GTP 31.8182
112 3T5G GDP 32.0442
113 2J0V GDP 32.0755
114 2J0V GDP 32.0755
115 2J0V GDP 32.0755
116 2J0V GDP 32.0755
117 4BAS GNP 32.1608
118 4BAS GNP 32.1608
119 1RYH GNP 32.5123
120 6BSX GDP 32.5843
121 6BSX GDP 32.5843
122 6BSX GDP 32.5843
123 1DS6 GDP 33.3333
124 1I4D GDP 33.8542
125 6HXU GTP 33.8798
126 6SGE GTP 33.8798
127 6SGE GTP 33.8798
128 2W2X GSP 34.0541
129 2W2X GSP 34.0541
130 5XC5 GTP 34.0909
131 1OW3 GDP 34.1969
132 1NF3 GNP 34.359
133 1NF3 GNP 34.359
134 1NF3 GNP 34.359
135 1NF3 GNP 34.359
136 1A4R GNH 35.0785
137 1A4R GDP 35.0785
138 6BCB GSP 35.1351
139 6BCA GSP 35.1351
140 6BCA GSP 35.1351
141 4D0N GDP 35.1351
142 6BC0 GSP 35.1351
143 1CXZ GSP 35.1648
144 4DID GDP 35.2332
145 1M7B GTP 35.3261
146 2NGR GDP 35.6021
147 2NGR AF3 35.6021
148 1GRN GDP 35.6021
149 1GRN AF3 35.6021
150 5HPY GDP 35.6757
151 5HPY GDP 35.6757
152 3LXR GDP 35.6757
153 2WMO GTP 35.7895
154 4XOI GTP 36.1111
155 4XOI GTP 36.1111
156 1YRB GDP 36.3636
157 1YRB GDP 36.3636
158 2FJU GSP 36.5169
159 2GCO GNP 36.8159
160 2GCO GNP 36.8159
161 4XSH GSP 36.8715
162 3SBD GNP 36.8984
163 3SBD GNP 36.8984
164 1KMQ GNP 36.9565
165 1MH1 GNP 37.0968
166 5IRC GDP 37.0968
167 5IRC GDP 37.0968
168 5IRC GDP 37.0968
169 5IRC GDP 37.0968
170 1TX4 ALF GDP 37.2881
171 4YC7 GNP 37.5691
172 1R4A GNP 38.7879
173 1R4A GNP 38.7879
174 1R4A GNP 38.7879
175 1R4A GNP 38.7879
176 2G77 GDP 40.404
177 2G77 AF3 40.404
178 1E96 GTP 40.9091
179 2X77 GDP 40.9091
180 2X77 GDP 40.9091
181 4M9Q GNP 40.9091
182 4M9Q GNP 40.9091
183 4M9Q GNP 40.9091
184 5DI3 GNP 40.9091
185 5DI3 GNP 40.9091
186 1WDT GTP 40.9091
187 1GWN GTP 40.9756
188 4DKX GDP 41.6667
189 4DKX GDP 41.6667
190 2BCG GDP 42.233
191 3CPJ GDP 42.6009
192 4U5X GNP 42.6966
193 2F9L GDP 42.7136
194 2CJW GDP 43.75
195 2CJW GDP 43.75
196 5TB5 GDP 43.7838
197 5TAR GDP 43.7838
198 5SZH GNP 43.8424
199 1OIX GDP 44.5026
200 2A9K GDP 44.9198
201 2J59 GTP 45.4545
202 2J59 GTP 45.4545
203 2J59 GTP 45.4545
204 2J59 GTP 45.4545
205 2J59 GTP 45.4545
206 2WIC GNP 45.4545
207 2WIC GNP 45.4545
208 1Z06 GNP 45.5026
209 3Q85 GNP 45.5621
210 3Q85 GNP 45.5621
211 3BC1 GNP 45.641
212 3BC1 GNP 45.641
213 5UPK GNP 45.9459
214 1VG8 GNP 46.3768
215 1VG8 GNP 46.3768
216 1VG8 GNP 46.3768
217 1VG8 GNP 46.3768
218 1VG0 GDP 46.3768
219 6FA3 GNP 46.5116
220 6FA3 GNP 46.5116
221 6FA3 GNP 46.5116
222 6FA3 GNP 46.5116
223 6FA3 GNP 46.5116
224 6FA3 GNP 46.5116
225 3Q72 GNP 46.988
226 3Q72 GNP 46.988
227 3RWO GDP 47.027
228 3RWO GDP 47.027
229 3RWO GDP 47.027
230 3RWO GDP 47.027
231 2HV8 GTP 47.093
232 2HV8 GTP 47.093
233 2HV8 GTP 47.093
234 1X1R GDP 47.191
235 6IF3 GTP 47.3118
236 6IF2 GTP 47.3118
237 4K81 GTP 47.3684
238 4K81 GTP 47.3684
239 4K81 GTP 47.3684
240 4K81 GTP 47.3684
241 2C5L GTP 47.3988
242 2C5L GTP 47.3988
243 1ZC3 GNP 47.4286
244 1ZC3 GNP 47.4286
245 5LEF GTP 47.644
246 5LEF GTP 47.644
247 5WHA GDP 47.6471
248 5WHA GDP 47.6471
249 5WHA GDP 47.6471
250 2D7C GTP 47.9042
251 2D7C GTP 47.9042
252 3TKL GTP 47.9592
253 1UAD GNP 48
254 1UAD GNP 48
255 4LX0 BEF GDP 48.0226
256 5WLB GNP 48.1928
257 5WLB GNP 48.1928
258 2UZI GTP 48.7952
259 1G16 GDP 48.8235
260 1G16 GDP 48.8235
261 1G16 GDP 48.8235
262 1G16 GDP 48.8235
263 2HT6 GDP 48.8506
264 2HT6 GDP 48.8506
265 1ZD9 GDP 48.9362
266 6BVJ GNP 49.1018
267 6BVL GNP 49.1018
268 6BVI GNP 49.1018
269 6BVK GNP 49.1018
270 6D5E GNP 49.1018
271 6D59 GNP 49.1018
272 6BVM GNP 49.1018
273 6CUR GNP 49.1018
274 6D55 GNP 49.1018
275 6D5L GNP 49.1018
276 6D56 GNP 49.1018
277 6CUO GNP 49.1018
278 6D5H GNP 49.1018
279 6CUP GNP 49.1018
280 6D5J GNP 49.1018
281 6D5M GNP 49.1018
282 6D5V GNP 49.1018
283 6D5G GNP 49.1018
284 6D5W GNP 49.1018
285 1LFD GNP 49.1018
286 1LFD GNP 49.1018
287 4C4P GNP 49.1329
288 5OEC GDP 49.1803
289 2EW1 GNP 49.2537
290 1NVV GNP 49.3976
291 1NVV GNP 49.3976
292 1NVV GNP 49.3976
293 1NVV GNP 49.3976
294 3KUD GDP 49.3976
295 1WQ1 GDP 49.3976
296 1WQ1 AF3 49.3976
297 1U8Z GDP 49.4048
298 1U8Z GDP 49.4048
299 1Z0J GTP 49.4118
300 5O74 GDP 49.4444
301 6HH2 GDP 49.4444
302 5O74 GDP 49.4444
303 5O74 GDP 49.4444
304 5O74 GDP 49.4444
305 5O74 GDP 49.4444
306 1KY3 GDP 49.4506
307 1YVD GNP 49.7041
308 5O2T GSP 49.7041
309 5WDR GNP 49.7076
310 5WDR GNP 49.7076
311 2Y8E GNP 49.7207
312 2Y8E GNP 49.7207
313 2Y8E GNP 49.7207
314 2Y8E GNP 49.7207
315 6FF8 GTP 49.7238
316 6FF8 GTP 49.7238
317 3DDC GNP 50
318 3DDC GNP 50
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