Receptor
PDB id Resolution Class Description Source Keywords
5UWT 2.34 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HXK2 PEPTIDE IN COMPLEX WITH CRM1 K579A RAN-RANBP1 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;
A:304;
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
5UWT 2.34 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HXK2 PEPTIDE IN COMPLEX WITH CRM1 K579A RAN-RANBP1 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 291 families.
1 5UWT - 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 247 families.
1 5UWT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5UWT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GNP; Similar ligands found: 132
No: Ligand ECFP6 Tc MDL keys Tc
1 GNP 1 1
2 9GM 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 G1R 0.77907 0.961039
8 GCP 0.77907 0.948718
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 GDC 0.690722 0.936709
19 GDD 0.690722 0.936709
20 GKE 0.690722 0.936709
21 G5P 0.686869 0.948718
22 GPG 0.684211 0.936709
23 GTG 0.683673 0.91358
24 GDR 0.683673 0.936709
25 GFB 0.683673 0.936709
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 ALF GDP 0.645833 0.86747
35 GDP AF3 0.645833 0.86747
36 GDP ALF 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 2MD 0.603604 0.870588
46 CAG 0.60177 0.904762
47 U2G 0.590909 0.91358
48 FEG 0.590909 0.858824
49 GDP 7MG 0.590476 0.888889
50 MGD 0.587719 0.870588
51 G G 0.586538 0.924051
52 ZGP 0.585586 0.848837
53 CG2 0.580357 0.91358
54 ANP 0.568421 0.922078
55 PGD 0.567797 0.902439
56 MD1 0.567797 0.870588
57 3GP 0.56044 0.922078
58 TPG 0.558333 0.822222
59 GH3 0.55 0.948052
60 FE9 0.546219 0.778947
61 GPX 0.539216 0.922078
62 G4M 0.539062 0.860465
63 DGI 0.536082 0.9
64 BGO 0.535088 0.901235
65 IDP 0.53125 0.947368
66 DGT 0.53 0.9
67 2GP 0.526882 0.935065
68 G1R G1R 0.520325 0.901235
69 GCP G 0.518868 0.897436
70 A G 0.516949 0.911392
71 U A G G 0.512605 0.911392
72 G A A A 0.504202 0.9
73 AGO 0.504202 0.91358
74 P2G 0.5 0.860759
75 G1G 0.5 0.902439
76 R7I 0.49505 0.922078
77 MGP 0.49505 0.936709
78 R5I 0.49505 0.922078
79 PGD O 0.492063 0.831461
80 6G0 0.490196 0.936709
81 P1G 0.489796 0.85
82 AKW 0.483051 0.869048
83 DG 0.474227 0.8875
84 DGP 0.474227 0.8875
85 G U 0.466667 0.878049
86 IMP 0.463918 0.934211
87 G2Q 0.462963 0.936709
88 GPC 0.459677 0.858824
89 G C 0.459016 0.878049
90 GTA 0.448276 0.91358
91 G7M 0.444444 0.924051
92 MAP 0.439252 0.898734
93 G G G RPC 0.435484 0.853659
94 B4P 0.434343 0.871795
95 AP5 0.434343 0.871795
96 ADP 0.434343 0.896104
97 A2D 0.43299 0.871795
98 AT4 0.43 0.8625
99 G G G C 0.426357 0.890244
100 AU1 0.425743 0.922078
101 SGP 0.425743 0.807229
102 BA3 0.424242 0.871795
103 A G C C 0.423077 0.888889
104 35G 0.423077 0.909091
105 PCG 0.423077 0.909091
106 C2E 0.423077 0.897436
107 APC G U 0.421875 0.864198
108 HEJ 0.421569 0.896104
109 ATP 0.421569 0.896104
110 ACQ 0.419048 0.873418
111 5GP 5GP 0.419048 0.860759
112 5FA 0.417476 0.896104
113 AQP 0.417476 0.896104
114 01G 0.417391 0.880952
115 AN2 0.415842 0.909091
116 UNP 0.415842 0.810127
117 6AD 0.415094 0.821429
118 M33 0.411765 0.860759
119 ITT 0.411765 0.846154
120 G C C C 0.410448 0.901235
121 HFD 0.409524 0.851852
122 G U34 0.408 0.86747
123 ACP 0.407767 0.873418
124 6YZ 0.407407 0.873418
125 AR6 0.403846 0.871795
126 APR 0.403846 0.871795
127 DG DG 0.403509 0.845238
128 A4P 0.403226 0.848837
129 UCG 0.402985 0.888889
130 SAP 0.4 0.851852
131 AGS 0.4 0.851852
132 AD9 0.4 0.873418
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5UWT; Ligand: GNP; Similar sites found with APoc: 155
This union binding pocket(no: 1) in the query (biounit: 5uwt.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZKD GDP 4.21941
2 2AWN ADP 4.64135
3 3MD0 GDP 6.29371
4 5W7Q GDP 6.32911
5 3EC1 GDP 6.32911
6 1BH2 GSP 7.61905
7 3CNL GNP 7.63359
8 2RCN GDP 7.69231
9 4LC1 GDP 8.01187
10 3WXM GTP 9.79021
11 1YRB GDP 10.3053
12 2WJG GDP 10.6383
13 5CK5 GDP 11.3924
14 1FQK ALF 12.9252
15 5M04 GDP 13.0802
16 3U6B GDP 15.3846
17 4P3Y GDP 15.3846
18 2BVN GNP 15.3846
19 1D8T GDP 15.3846
20 5JBQ GDP 15.3846
21 3U6K GDP 15.3846
22 4J0Q GDP 17.3913
23 2X77 GDP 19.5767
24 4M9Q GNP 20.2643
25 3DOE GTP 20.8333
26 1UPT GTP 21.0526
27 5W76 GDP 21.097
28 2WIC GNP 21.097
29 1FQJ ALF 21.4286
30 1F6B GDP 21.7172
31 4TMZ GSP 21.7391
32 2J59 GTP 22.2892
33 1O3Y GTP 22.2892
34 1J2J GTP 22.2892
35 2FH5 GTP 22.7027
36 4KAX GTP 23.0769
37 1RE0 GDP 23.1707
38 2A5F GTP 23.4286
39 1CS4 GSP 23.6287
40 4DCT GDP 24.4726
41 3N5C GDP 24.6914
42 2W83 GTP 24.8485
43 3AQ4 GDP 25
44 1NRJ GTP 25.2294
45 3WY9 GDP 26.087
46 3WYA GDP 26.087
47 3PCR GTP 26.087
48 1WDT GTP 26.087
49 2WKQ GTP 26.5823
50 5EE5 GTP 28.692
51 1YZG GDP 29.6089
52 1ZJ6 G3D 30.4813
53 3T5G GDP 32.0442
54 2J0V GDP 32.0755
55 4BAS GNP 32.1608
56 1RYH GNP 32.5123
57 1DS6 GDP 33.3333
58 1I4D GDP 33.8542
59 2W2X GSP 34.0541
60 5DI3 GNP 34.0541
61 5XC5 GTP 34.0909
62 1OW3 GDP 34.1969
63 1NF3 GNP 34.359
64 1E96 GTP 34.375
65 4GOJ GNP 34.7826
66 4ZI2 GNP 34.7826
67 1FZQ GDP 34.7826
68 5JCP GDP ALF 34.7826
69 2C77 GNP 34.7826
70 1A4R GNH 35.0785
71 1A4R GDP 35.0785
72 6BCB GSP 35.1351
73 6BCA GSP 35.1351
74 4D0N GDP 35.1351
75 6BC0 GSP 35.1351
76 1CXZ GSP 35.1648
77 1M7B GTP 35.3261
78 1GRN GDP 35.6021
79 1GRN AF3 35.6021
80 5HPY GDP 35.6757
81 3LXR GDP 35.6757
82 4XOI GTP 36.1111
83 2FJU GSP 36.5169
84 2GCO GNP 36.8159
85 4XSH GSP 36.8715
86 3SBD GNP 36.8984
87 1KMQ GNP 36.9565
88 1MH1 GNP 37.0968
89 5IRC GDP 37.0968
90 1TX4 ALF GDP 37.2881
91 2G77 GDP 40.404
92 2G77 AF3 40.404
93 1GWN GTP 40.9756
94 4DKX GDP 41.6667
95 2BCG GDP 42.233
96 5OCG GNP 42.328
97 4U5X GNP 42.6966
98 2CJW GDP 43.75
99 5TB5 GDP 43.7838
100 5TAR GDP 43.7838
101 5SZH GNP 43.8424
102 1OIX GDP 44.5026
103 2A9K GDP 44.9198
104 1Z06 GNP 45.5026
105 3Q85 GNP 45.5621
106 3BC1 GNP 45.641
107 5UPK GNP 45.9459
108 6FA4 GNP 46.2428
109 1VG8 GNP 46.3768
110 1VG0 GDP 46.3768
111 3Q72 GNP 46.988
112 3RWO GDP 47.027
113 2HV8 GTP 47.093
114 4K81 GTP 47.3684
115 2C5L GTP 47.3988
116 1ZC3 GNP 47.4286
117 5LEF GTP 47.644
118 2XTZ GSP 47.8261
119 2D7C GTP 47.9042
120 3TKL GTP 47.9592
121 1UAD GNP 48
122 4LX0 BEF GDP 48.0226
123 5WLB GNP 48.1928
124 2UZI GTP 48.7952
125 2HT6 GDP 48.8506
126 1ZD9 GDP 48.9362
127 6BVJ GNP 49.1018
128 6BVL GNP 49.1018
129 6BVI GNP 49.1018
130 6BVK GNP 49.1018
131 6D5E GNP 49.1018
132 6D59 GNP 49.1018
133 6BVM GNP 49.1018
134 6D55 GNP 49.1018
135 6D5L GNP 49.1018
136 6D56 GNP 49.1018
137 6D5H GNP 49.1018
138 6D5J GNP 49.1018
139 6D5V GNP 49.1018
140 6D5M GNP 49.1018
141 6D5G GNP 49.1018
142 1LFD GNP 49.1018
143 4C4P GNP 49.1329
144 5OEC GDP 49.1803
145 2EW1 GNP 49.2537
146 1NVV GNP 49.3976
147 3KUD GDP 49.3976
148 1WQ1 GDP 49.3976
149 1Z0J GTP 49.4118
150 5O74 GDP 49.4444
151 1KY3 GDP 49.4506
152 5O2T GSP 49.7041
153 1YVD GNP 49.7041
154 5WDR GNP 49.7076
155 2Y8E GNP 49.7207
156 3DDC GNP 50
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