Receptor
PDB id Resolution Class Description Source Keywords
5UWH 2.26 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF PAXILLIN NES PEPTIDE IN COMPLEX WITH CR 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
5UWH 2.26 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF PAXILLIN NES PEPTIDE IN COMPLEX WITH CR 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 5UWH - 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 5UWH - 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 5UWH - 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 : 5UWH; Ligand: GNP; Similar sites found with APoc: 149
This union binding pocket(no: 1) in the query (biounit: 5uwh.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 5W75 GDP 6.99301
7 3CNL GNP 7.63359
8 2C77 GNP 7.69231
9 4LC1 GDP 8.01187
10 3WY9 GDP 9.21659
11 3WYA GDP 9.21659
12 2WJG GDP 10.6383
13 5CK5 GDP 11.3924
14 4TMZ GSP 11.8143
15 1FQK ALF 12.9252
16 4J0Q GDP 13.9241
17 3U6B GDP 15.3846
18 4P3Y GDP 15.3846
19 2BVN GNP 15.3846
20 1D8T GDP 15.3846
21 5JBQ GDP 15.3846
22 3U6K GDP 15.3846
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 1FQJ ALF 21.4286
29 1F6B GDP 21.7172
30 2J59 GTP 22.2892
31 1O3Y GTP 22.2892
32 1J2J GTP 22.2892
33 2FH5 GTP 22.7027
34 1RE0 GDP 23.1707
35 2A5F GTP 23.4286
36 1CS4 GSP 23.6287
37 3PCR GTP 24.0741
38 4DCT GDP 24.4726
39 3N5C GDP 24.6914
40 2W83 GTP 24.8485
41 3AQ4 GDP 25
42 1NRJ GTP 25.2294
43 2WKQ GTP 26.5823
44 4KAX GTP 27.2727
45 4ZI2 GNP 28.4211
46 4GOJ GNP 28.5714
47 5EE5 GTP 28.692
48 1FZQ GDP 29.2818
49 1YZG GDP 29.6089
50 1ZJ6 G3D 30.4813
51 1YRB GDP 31.8182
52 2J0V GDP 32.0755
53 4BAS GNP 32.1608
54 1DS6 GDP 33.3333
55 1I4D GDP 33.8542
56 2W2X GSP 34.0541
57 5DI3 GNP 34.0541
58 5XC5 GTP 34.0909
59 1OW3 GDP 34.1969
60 1NF3 GNP 34.359
61 1E96 GTP 34.375
62 1A4R GNH 35.0785
63 1A4R GDP 35.0785
64 6BCB GSP 35.1351
65 6BCA GSP 35.1351
66 4D0N GDP 35.1351
67 6BC0 GSP 35.1351
68 1CXZ GSP 35.1648
69 1M7B GTP 35.3261
70 1GRN GDP 35.6021
71 1GRN AF3 35.6021
72 5HPY GDP 35.6757
73 3LXR GDP 35.6757
74 4XOI GTP 36.1111
75 5M04 GDP 36.3636
76 5JCP GDP ALF 36.3636
77 2GCO GNP 36.8159
78 3SBD GNP 36.8984
79 1KMQ GNP 36.9565
80 1MH1 GNP 37.0968
81 5IRC GDP 37.0968
82 1TX4 ALF GDP 37.2881
83 4YC7 GNP 37.5691
84 2G77 GDP 40.404
85 2G77 AF3 40.404
86 1GWN GTP 40.9756
87 4DKX GDP 41.6667
88 2BCG GDP 42.233
89 5OCG GNP 42.328
90 4U5X GNP 42.6966
91 2CJW GDP 43.75
92 5TB5 GDP 43.7838
93 5TAR GDP 43.7838
94 5SZH GNP 43.8424
95 1OIX GDP 44.5026
96 2A9K GDP 44.9198
97 4XSH GSP 45.4545
98 1Z06 GNP 45.5026
99 3Q85 GNP 45.5621
100 3BC1 GNP 45.641
101 5UPK GNP 45.9459
102 6FA4 GNP 46.2428
103 1VG8 GNP 46.3768
104 1VG0 GDP 46.3768
105 3Q72 GNP 46.988
106 2HV8 GTP 47.093
107 1X1R GDP 47.191
108 4K81 GTP 47.3684
109 2C5L GTP 47.3988
110 1ZC3 GNP 47.4286
111 5LEF GTP 47.644
112 2D7C GTP 47.9042
113 3TKL GTP 47.9592
114 1UAD GNP 48
115 4LX0 BEF GDP 48.0226
116 5WLB GNP 48.1928
117 2UZI GTP 48.7952
118 1CLU DBG 48.7952
119 2HT6 GDP 48.8506
120 1ZD9 GDP 48.9362
121 6BVJ GNP 49.1018
122 6BVL GNP 49.1018
123 6BVI GNP 49.1018
124 6BVK GNP 49.1018
125 6D5E GNP 49.1018
126 6D59 GNP 49.1018
127 6BVM GNP 49.1018
128 6D5L GNP 49.1018
129 6D56 GNP 49.1018
130 6D55 GNP 49.1018
131 6D5H GNP 49.1018
132 6D5J GNP 49.1018
133 6D5V GNP 49.1018
134 6D5M GNP 49.1018
135 6D5G GNP 49.1018
136 1LFD GNP 49.1018
137 4C4P GNP 49.1329
138 5OEC GDP 49.1803
139 2EW1 GNP 49.2537
140 1NVV GNP 49.3976
141 3KUD GDP 49.3976
142 1WQ1 GDP 49.3976
143 1Z0J GTP 49.4118
144 5O74 GDP 49.4444
145 1KY3 GDP 49.4506
146 5O2T GSP 49.7041
147 1YVD GNP 49.7041
148 5WDR GNP 49.7076
149 2Y8E GNP 49.7207
150 3DDC GNP 50
151 2FJU GSP 50
152 2WIC GNP 50
APoc FAQ
Feedback