Receptor
PDB id Resolution Class Description Source Keywords
5UWW 2.15 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF DEAF1 PEPTIDE IN COMPLEX WITH CRM1 K579 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;
C:1101;
Invalid;
Invalid;
Invalid;
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
5UWW 2.15 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF DEAF1 PEPTIDE IN COMPLEX WITH CRM1 K579 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 5UWW - 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 5UWW - 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 5UWW - 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 : 5UWW; Ligand: GNP; Similar sites found with APoc: 153
This union binding pocket(no: 1) in the query (biounit: 5uww.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZKD GDP 4.21941
2 2AWN ADP 4.64135
3 2XTZ GSP 5.90717
4 3MD0 GDP 6.29371
5 5W7Q GDP 6.32911
6 3EC1 GDP 6.32911
7 5W75 GDP 6.99301
8 1BH2 GSP 7.61905
9 3CNL GNP 7.63359
10 4LC1 GDP 8.01187
11 3WY9 GDP 9.21659
12 3WYA GDP 9.21659
13 1YRB GDP 10.3053
14 2WJG GDP 10.6383
15 5CK5 GDP 11.3924
16 4TMZ GSP 11.8143
17 1FQK ALF 12.9252
18 3CX8 GSP 13.7931
19 4J0Q GDP 13.9241
20 3U6B GDP 15.3846
21 4P3Y GDP 15.3846
22 2BVN GNP 15.3846
23 1D8T GDP 15.3846
24 5JBQ GDP 15.3846
25 3U6K GDP 15.3846
26 2X77 GDP 19.5767
27 4M9Q GNP 20.2643
28 3DOE GTP 20.8333
29 1UPT GTP 21.0526
30 5W76 GDP 21.097
31 2WIC GNP 21.097
32 1FQJ ALF 21.4286
33 1F6B GDP 21.7172
34 1O3Y GTP 22.2892
35 1J2J GTP 22.2892
36 2FH5 GTP 22.7027
37 4KAX GTP 23.0769
38 1RE0 GDP 23.1707
39 2A5F GTP 23.4286
40 3PCR GTP 24.0741
41 4DCT GDP 24.4726
42 3N5C GDP 24.6914
43 2W83 GTP 24.8485
44 3AQ4 GDP 25
45 1NRJ GTP 25.2294
46 2WKQ GTP 26.5823
47 5JCP GDP ALF 27.8481
48 4ZI2 GNP 28.4211
49 4GOJ GNP 28.5714
50 1CS4 GSP 28.5714
51 5EE5 GTP 28.692
52 1FZQ GDP 29.2818
53 1ZJ6 G3D 30.4813
54 3REF GDP 30.9278
55 2J0V GDP 32.0755
56 4BAS GNP 32.1608
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 1A4R GNH 35.0785
66 1A4R GDP 35.0785
67 6BCB GSP 35.1351
68 6BCA GSP 35.1351
69 4D0N GDP 35.1351
70 6BC0 GSP 35.1351
71 1CXZ GSP 35.1648
72 1M7B GTP 35.3261
73 1GRN GDP 35.6021
74 1GRN AF3 35.6021
75 5HPY GDP 35.6757
76 3LXR GDP 35.6757
77 4XOI GTP 36.1111
78 2FJU GSP 36.5169
79 2GCO GNP 36.8159
80 3SBD GNP 36.8984
81 1KMQ GNP 36.9565
82 1MH1 GNP 37.0968
83 5IRC GDP 37.0968
84 1TX4 ALF GDP 37.2881
85 4YC7 GNP 37.5691
86 2J59 GTP 38.0952
87 2C77 GNP 38.0952
88 2G77 GDP 40.404
89 1GWN GTP 40.9756
90 4DKX GDP 41.6667
91 2BCG GDP 42.233
92 5OCG GNP 42.328
93 4U5X GNP 42.6966
94 2F9L GDP 42.7136
95 5TB5 GDP 43.7838
96 5TAR GDP 43.7838
97 5SZH GNP 43.8424
98 1OIX GDP 44.5026
99 2A9K GDP 44.9198
100 1Z06 GNP 45.5026
101 3Q85 GNP 45.5621
102 3BC1 GNP 45.641
103 5UPK GNP 45.9459
104 6FA4 GNP 46.2428
105 1VG8 GNP 46.3768
106 1VG0 GDP 46.3768
107 3Q72 GNP 46.988
108 3RWO GDP 47.027
109 2HV8 GTP 47.093
110 1X1R GDP 47.191
111 4K81 GTP 47.3684
112 2C5L GTP 47.3988
113 1ZC3 GNP 47.4286
114 1WDT GTP 47.619
115 5LEF GTP 47.644
116 2D7C GTP 47.9042
117 3TKL GTP 47.9592
118 1UAD GNP 48
119 4LX0 BEF GDP 48.0226
120 5WLB GNP 48.1928
121 2UZI GTP 48.7952
122 1CLU DBG 48.7952
123 2HT6 GDP 48.8506
124 1ZD9 GDP 48.9362
125 6BVJ GNP 49.1018
126 6BVL GNP 49.1018
127 6D5E GNP 49.1018
128 6BVK GNP 49.1018
129 6BVI GNP 49.1018
130 6D59 GNP 49.1018
131 6D5L GNP 49.1018
132 6D55 GNP 49.1018
133 6BVM GNP 49.1018
134 6D56 GNP 49.1018
135 6D5H GNP 49.1018
136 6D5J GNP 49.1018
137 6D5G GNP 49.1018
138 6D5M GNP 49.1018
139 6D5V GNP 49.1018
140 1LFD GNP 49.1018
141 4C4P GNP 49.1329
142 5OEC GDP 49.1803
143 2EW1 GNP 49.2537
144 1NVV GNP 49.3976
145 3KUD GDP 49.3976
146 1WQ1 GDP 49.3976
147 1Z0J GTP 49.4118
148 5O74 GDP 49.4444
149 1KY3 GDP 49.4506
150 5O2T GSP 49.7041
151 1YVD GNP 49.7041
152 5WDR GNP 49.7076
153 2Y8E GNP 49.7207
154 3DDC GNP 50
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