Receptor
PDB id Resolution Class Description Source Keywords
6CIT 2.03 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF MVM NS2 NES PEPTIDE IN COMPLEX WITH CRM RANBP1 HOMO SAPIENS KARYOPHERIN CRM1 XPO1 EXPORTIN-1 MVM NES NUCLEAR EXPORPROTEIN TRANSPORT
Ref.: CORRELATION OF CRM1-NES AFFINITY WITH NUCLEAR EXPOR ACTIVITY. MOL. BIOL. CELL V. 29 2037 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL C:1104;
C:1106;
C:1105;
C:1103;
C:1102;
A:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CL C:1101;
Invalid;
none;
submit data
35.453 Cl [Cl-]
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
6CIT 2.03 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF MVM NS2 NES PEPTIDE IN COMPLEX WITH CRM RANBP1 HOMO SAPIENS KARYOPHERIN CRM1 XPO1 EXPORTIN-1 MVM NES NUCLEAR EXPORPROTEIN TRANSPORT
Ref.: CORRELATION OF CRM1-NES AFFINITY WITH NUCLEAR EXPOR ACTIVITY. MOL. BIOL. CELL V. 29 2037 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 309 families.
1 6CIT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 6CIT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
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 5UWS - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 5DI9 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
3 6CIT - 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 : 6CIT; Ligand: GNP; Similar sites found with APoc: 265
This union binding pocket(no: 1) in the query (biounit: 6cit.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 5W7Q GDP 6.32911
10 3EC1 GDP 6.32911
11 5W75 GDP 6.99301
12 5W75 GDP 6.99301
13 5W75 GDP 6.99301
14 3CNL GNP 7.63359
15 2RCN GDP 7.69231
16 4LC1 GDP 8.01187
17 4LC1 GDP 8.01187
18 4NON GDP 8.43882
19 3PQC GDP 8.71795
20 3WY9 GDP 9.21659
21 3WY9 GDP 9.21659
22 3WYA GDP 9.21659
23 3WXM GTP 9.79021
24 3WXM GTP 9.79021
25 1YRB GDP 10.3053
26 1YRB GDP 10.3053
27 2WJG GDP 10.6383
28 5CK5 GDP 11.3924
29 5CK5 GDP 11.3924
30 5CK5 GDP 11.3924
31 5CK5 GDP 11.3924
32 4TMZ GSP 11.8143
33 4TMZ GSP 11.8143
34 1FQK ALF 12.9252
35 5M04 GDP 13.0802
36 4J0Q GDP 13.9241
37 4J0Q GDP 13.9241
38 4J0Q GDP 13.9241
39 4J0Q GDP 13.9241
40 3U6B GDP 15.3846
41 3U6B GDP 15.3846
42 4P3Y GDP 15.3846
43 2BVN GNP 15.3846
44 2BVN GNP 15.3846
45 1D8T GDP 15.3846
46 5JBQ GDP 15.3846
47 3U6K GDP 15.3846
48 6IZW GSP 15.7635
49 1WDT GTP 18.1435
50 2X77 GDP 19.5767
51 2X77 GDP 19.5767
52 6A8D GDP 19.7917
53 4M9Q GNP 20.2643
54 4M9Q GNP 20.2643
55 3DOE GTP 20.8333
56 1UPT GTP 21.0526
57 1UPT GTP 21.0526
58 1UPT GTP 21.0526
59 1UPT GTP 21.0526
60 5W76 GDP 21.097
61 1FQJ ALF 21.4286
62 1F6B GDP 21.7172
63 1F6B GDP 21.7172
64 2FH5 GTP 22.7027
65 2FH5 GTP 22.7027
66 4KAX GTP 23.0769
67 2A5F GTP 23.4286
68 1RE0 GDP 23.8095
69 1J2J GTP 23.8095
70 2J59 GTP 23.8095
71 2J59 GTP 23.8095
72 2J59 GTP 23.8095
73 2J59 GTP 23.8095
74 1O3Y GTP 23.8095
75 2C77 GNP 23.8095
76 1O3Y GTP 23.8095
77 2J59 GTP 23.8095
78 2WIC GNP 23.8095
79 3PCR GTP 24.0741
80 4DCT GDP 24.4726
81 3N5C GDP 24.6914
82 2W83 GTP 24.8485
83 2W83 GTP 24.8485
84 2W83 GTP 24.8485
85 3AQ4 GDP 25
86 1NRJ GTP 25.2294
87 2WKQ GTP 26.5823
88 5JCP GDP ALF 27.8481
89 4ZI2 GNP 28.4211
90 4ZI2 GNP 28.4211
91 4GOJ GNP 28.5714
92 4GOJ GNP 28.5714
93 6S6D GTP 28.5714
94 6S6D GTP 28.5714
95 5EE5 GTP 28.692
96 1FZQ GDP 29.2818
97 1YZG GDP 29.6089
98 1ZJ6 G3D 30.4813
99 1ZJ6 G3D 30.4813
100 3REF GDP 30.9278
101 3T5G GDP 32.0442
102 2J0V GDP 32.0755
103 2J0V GDP 32.0755
104 4BAS GNP 32.1608
105 1RYH GNP 32.5123
106 6BSX GDP 32.5843
107 6BSX GDP 32.5843
108 6BSX GDP 32.5843
109 1DS6 GDP 33.3333
110 1I4D GDP 33.8542
111 6HXU GTP 33.8798
112 6SGE GTP 33.8798
113 6SGE GTP 33.8798
114 2W2X GSP 34.0541
115 5DI3 GNP 34.0541
116 5DI3 GNP 34.0541
117 2W2X GSP 34.0541
118 5XC5 GTP 34.0909
119 1OW3 GDP 34.1969
120 1NF3 GNP 34.359
121 1NF3 GNP 34.359
122 1NF3 GNP 34.359
123 1NF3 GNP 34.359
124 1E96 GTP 34.375
125 1A4R GNH 35.0785
126 1A4R GDP 35.0785
127 6BCB GSP 35.1351
128 6BCA GSP 35.1351
129 6BCA GSP 35.1351
130 4D0N GDP 35.1351
131 6BC0 GSP 35.1351
132 1CXZ GSP 35.1648
133 1M7B GTP 35.3261
134 1GRN GDP 35.6021
135 1GRN AF3 35.6021
136 5HPY GDP 35.6757
137 3LXR GDP 35.6757
138 4XOI GTP 36.1111
139 4XOI GTP 36.1111
140 2FJU GSP 36.5169
141 2GCO GNP 36.8159
142 4XSH GSP 36.8715
143 3SBD GNP 36.8984
144 3SBD GNP 36.8984
145 1KMQ GNP 36.9565
146 1MH1 GNP 37.0968
147 5IRC GDP 37.0968
148 5IRC GDP 37.0968
149 5IRC GDP 37.0968
150 5IRC GDP 37.0968
151 1TX4 ALF GDP 37.2881
152 4YC7 GNP 37.5691
153 2WMO GTP 38.0952
154 1R4A GNP 38.7879
155 1R4A GNP 38.7879
156 1R4A GNP 38.7879
157 1R4A GNP 38.7879
158 2G77 GDP 40.404
159 1GWN GTP 40.9756
160 4DKX GDP 41.6667
161 4U5X GNP 42.6966
162 2BCG GDP 42.8571
163 2CJW GDP 43.75
164 2CJW GDP 43.75
165 5TB5 GDP 43.7838
166 5TAR GDP 43.7838
167 5SZH GNP 43.8424
168 1OIX GDP 44.5026
169 2A9K GDP 44.9198
170 1Z06 GNP 45.5026
171 3Q85 GNP 45.5621
172 3Q85 GNP 45.5621
173 3BC1 GNP 45.641
174 3BC1 GNP 45.641
175 5UPK GNP 45.9459
176 1VG8 GNP 46.3768
177 1VG8 GNP 46.3768
178 1VG8 GNP 46.3768
179 1VG8 GNP 46.3768
180 1VG0 GDP 46.3768
181 6FA3 GNP 46.5116
182 6FA3 GNP 46.5116
183 6FA3 GNP 46.5116
184 6FA3 GNP 46.5116
185 6FA3 GNP 46.5116
186 6FA3 GNP 46.5116
187 3Q72 GNP 46.988
188 3RWO GDP 47.027
189 3RWO GDP 47.027
190 3RWO GDP 47.027
191 2HV8 GTP 47.093
192 2HV8 GTP 47.093
193 2HV8 GTP 47.093
194 1X1R GDP 47.191
195 6IF3 GTP 47.3118
196 6IF2 GTP 47.3118
197 4K81 GTP 47.3684
198 4K81 GTP 47.3684
199 4K81 GTP 47.3684
200 4K81 GTP 47.3684
201 2C5L GTP 47.3988
202 2C5L GTP 47.3988
203 1ZC3 GNP 47.4286
204 1ZC3 GNP 47.4286
205 5LEF GTP 47.644
206 5LEF GTP 47.644
207 5WHA GDP 47.6471
208 5WHA GDP 47.6471
209 2D7C GTP 47.9042
210 2D7C GTP 47.9042
211 3TKL GTP 47.9592
212 1UAD GNP 48
213 1UAD GNP 48
214 4LX0 BEF GDP 48.0226
215 5WLB GNP 48.1928
216 5WLB GNP 48.1928
217 2UZI GTP 48.7952
218 2HT6 GDP 48.8506
219 1ZD9 GDP 48.9362
220 6BVJ GNP 49.1018
221 6D5E GNP 49.1018
222 6BVL GNP 49.1018
223 6BVI GNP 49.1018
224 6BVK GNP 49.1018
225 6D55 GNP 49.1018
226 6D59 GNP 49.1018
227 6D5L GNP 49.1018
228 6CUR GNP 49.1018
229 6BVM GNP 49.1018
230 6D56 GNP 49.1018
231 6D5H GNP 49.1018
232 6CUO GNP 49.1018
233 6CUP GNP 49.1018
234 6D5J GNP 49.1018
235 6D5W GNP 49.1018
236 6D5G GNP 49.1018
237 6D5M GNP 49.1018
238 6D5V GNP 49.1018
239 1LFD GNP 49.1018
240 1LFD GNP 49.1018
241 4C4P GNP 49.1329
242 5OEC GDP 49.1803
243 2EW1 GNP 49.2537
244 1NVV GNP 49.3976
245 1NVV GNP 49.3976
246 1NVV GNP 49.3976
247 1NVV GNP 49.3976
248 3KUD GDP 49.3976
249 1WQ1 GDP 49.3976
250 1Z0J GTP 49.4118
251 5O74 GDP 49.4444
252 5O74 GDP 49.4444
253 5O74 GDP 49.4444
254 5O74 GDP 49.4444
255 1KY3 GDP 49.4506
256 1YVD GNP 49.7041
257 5O2T GSP 49.7041
258 5WDR GNP 49.7076
259 5WDR GNP 49.7076
260 2Y8E GNP 49.7207
261 2Y8E GNP 49.7207
262 2Y8E GNP 49.7207
263 2Y8E GNP 49.7207
264 6FF8 GTP 49.7238
265 6FF8 GTP 49.7238
266 3DDC GNP 50
267 3DDC GNP 50
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