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 291 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 247 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 209 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: 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 : 6CIT; Ligand: GNP; Similar sites found with APoc: 158
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 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 3CNL GNP 7.63359
9 2RCN GDP 7.69231
10 4LC1 GDP 8.01187
11 3WY9 GDP 9.21659
12 3WYA GDP 9.21659
13 3WXM GTP 9.79021
14 1YRB GDP 10.3053
15 2WJG GDP 10.6383
16 5CK5 GDP 11.3924
17 4TMZ GSP 11.8143
18 1FQK ALF 12.9252
19 5M04 GDP 13.0802
20 4J0Q GDP 13.9241
21 3U6B GDP 15.3846
22 4P3Y GDP 15.3846
23 2BVN GNP 15.3846
24 1D8T GDP 15.3846
25 5JBQ GDP 15.3846
26 3U6K GDP 15.3846
27 1WDT GTP 18.1435
28 2X77 GDP 19.5767
29 4M9Q GNP 20.2643
30 3DOE GTP 20.8333
31 1UPT GTP 21.0526
32 5W76 GDP 21.097
33 1FQJ ALF 21.4286
34 1F6B GDP 21.7172
35 2FH5 GTP 22.7027
36 4KAX GTP 23.0769
37 2A5F GTP 23.4286
38 1RE0 GDP 23.8095
39 1J2J GTP 23.8095
40 2J59 GTP 23.8095
41 1O3Y GTP 23.8095
42 2C77 GNP 23.8095
43 2WIC GNP 23.8095
44 3PCR GTP 24.0741
45 4DCT GDP 24.4726
46 3N5C GDP 24.6914
47 2W83 GTP 24.8485
48 3AQ4 GDP 25
49 1NRJ GTP 25.2294
50 2WKQ GTP 26.5823
51 5JCP GDP ALF 27.8481
52 4ZI2 GNP 28.4211
53 4GOJ GNP 28.5714
54 5EE5 GTP 28.692
55 1FZQ GDP 29.2818
56 1YZG GDP 29.6089
57 1ZJ6 G3D 30.4813
58 3REF GDP 30.9278
59 3T5G GDP 32.0442
60 2J0V GDP 32.0755
61 4BAS GNP 32.1608
62 1RYH GNP 32.5123
63 1DS6 GDP 33.3333
64 1I4D GDP 33.8542
65 2W2X GSP 34.0541
66 5DI3 GNP 34.0541
67 5XC5 GTP 34.0909
68 1OW3 GDP 34.1969
69 1NF3 GNP 34.359
70 1E96 GTP 34.375
71 1A4R GNH 35.0785
72 1A4R GDP 35.0785
73 6BCB GSP 35.1351
74 6BCA GSP 35.1351
75 4D0N GDP 35.1351
76 6BC0 GSP 35.1351
77 1CXZ GSP 35.1648
78 1M7B GTP 35.3261
79 1GRN GDP 35.6021
80 1GRN AF3 35.6021
81 5HPY GDP 35.6757
82 3LXR GDP 35.6757
83 4XOI GTP 36.1111
84 2FJU GSP 36.5169
85 2GCO GNP 36.8159
86 4XSH GSP 36.8715
87 3SBD GNP 36.8984
88 1KMQ GNP 36.9565
89 1MH1 GNP 37.0968
90 5IRC GDP 37.0968
91 1TX4 ALF GDP 37.2881
92 4YC7 GNP 37.5691
93 2WMO GTP 38.0952
94 1R4A GNP 38.7879
95 2G77 GDP 40.404
96 1GWN GTP 40.9756
97 4DKX GDP 41.6667
98 5OCG GNP 42.328
99 4U5X GNP 42.6966
100 2BCG GDP 42.8571
101 2CJW GDP 43.75
102 5TB5 GDP 43.7838
103 5TAR GDP 43.7838
104 5SZH GNP 43.8424
105 1OIX GDP 44.5026
106 2A9K GDP 44.9198
107 1Z06 GNP 45.5026
108 3Q85 GNP 45.5621
109 3BC1 GNP 45.641
110 5UPK GNP 45.9459
111 6FA4 GNP 46.2428
112 1VG8 GNP 46.3768
113 1VG0 GDP 46.3768
114 3Q72 GNP 46.988
115 3RWO GDP 47.027
116 2HV8 GTP 47.093
117 1X1R GDP 47.191
118 4K81 GTP 47.3684
119 2C5L GTP 47.3988
120 1ZC3 GNP 47.4286
121 5LEF GTP 47.644
122 2D7C GTP 47.9042
123 3TKL GTP 47.9592
124 1UAD GNP 48
125 4LX0 BEF GDP 48.0226
126 5WLB GNP 48.1928
127 2UZI GTP 48.7952
128 2HT6 GDP 48.8506
129 1ZD9 GDP 48.9362
130 6BVJ GNP 49.1018
131 6D5E GNP 49.1018
132 6BVL GNP 49.1018
133 6BVK GNP 49.1018
134 6BVI GNP 49.1018
135 6D55 GNP 49.1018
136 6D59 GNP 49.1018
137 6D5L GNP 49.1018
138 6BVM GNP 49.1018
139 6D56 GNP 49.1018
140 6D5H GNP 49.1018
141 6D5J GNP 49.1018
142 6D5G GNP 49.1018
143 6D5M GNP 49.1018
144 6D5V GNP 49.1018
145 1LFD GNP 49.1018
146 4C4P GNP 49.1329
147 5OEC GDP 49.1803
148 2EW1 GNP 49.2537
149 1NVV GNP 49.3976
150 3KUD GDP 49.3976
151 1WQ1 GDP 49.3976
152 1Z0J GTP 49.4118
153 5O74 GDP 49.4444
154 1KY3 GDP 49.4506
155 5O2T GSP 49.7041
156 1YVD GNP 49.7041
157 5WDR GNP 49.7076
158 2Y8E GNP 49.7207
159 3DDC GNP 50
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