Receptor
PDB id Resolution Class Description Source Keywords
3LX5 1.9 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF MGMPPNP-BOUND NFEOB FROM S. THERMOPHILU STREPTOCOCCUS THERMOPHILUS G PROTEIN IRON TRANSPORT GTP-BINDING GTPASE TRANSMEMBRANNUCLEOTIDE-BINDING METAL TRANSPORT
Ref.: POTASSIUM-ACTIVATED GTPASE REACTION IN THE G PROTEI FERROUS IRON TRANSPORTER B. J.BIOL.CHEM. V. 285 14594 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AGO A:300;
Valid;
none;
submit data
653.327 C18 H22 N7 O14 P3 CNc1c...
GOL A:400;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:301;
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
4NON 2.5 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF GDP-BOUND A143S MUTANT OF THE S. THERMO FEOB G-DOMAIN STREPTOCOCCUS THERMOPHILUS G PROTEIN IRON TRANSPORT GTPASE TRANSMEMBRANE METAL TRANGTP BINDING
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF A FEOB A143S MUTANT EXPLAINS THE ACCELERATED GDP RELEASE RATE. FEBS J. V. 281 2254 2014
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 3B1V - GGM C18 H24 N7 O14 P3 CNc1ccccc1....
2 4NON Kd = 5.71 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 3B1W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 3B1Y - GNH C10 H16 N6 O10 P2 c1nc2c(n1[....
5 3TAH - BGO C18 H22 N6 O12 P2 CNc1ccccc1....
6 3LX5 - AGO C18 H22 N7 O14 P3 CNc1ccccc1....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 186 families.
1 3B1V - GGM C18 H24 N7 O14 P3 CNc1ccccc1....
2 4NON Kd = 5.71 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 3B1W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 3B1Y - GNH C10 H16 N6 O10 P2 c1nc2c(n1[....
5 3TAH - BGO C18 H22 N6 O12 P2 CNc1ccccc1....
6 3LX5 - AGO C18 H22 N7 O14 P3 CNc1ccccc1....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 157 families.
1 3B1V - GGM C18 H24 N7 O14 P3 CNc1ccccc1....
2 4NON Kd = 5.71 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 3B1W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 3B1Y - GNH C10 H16 N6 O10 P2 c1nc2c(n1[....
5 3TAH - BGO C18 H22 N6 O12 P2 CNc1ccccc1....
6 3LX5 - AGO C18 H22 N7 O14 P3 CNc1ccccc1....
7 2WIC - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
8 4R98 - GNH C10 H16 N6 O10 P2 c1nc2c(n1[....
9 3A1S Kd = 14.8 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 3A1U - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
11 3A1T Kd = 14.8 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AGO; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 AGO 1 1
2 GGM 0.677686 0.9875
3 BGO 0.6 0.9625
4 GNP 0.504202 0.91358
5 9GM 0.504202 0.91358
6 DBG 0.422819 0.938272
7 G3D 0.420635 0.9
8 GDP 0.414634 0.888889
9 DGI 0.414634 0.86747
10 G4P 0.414062 0.9
11 G1R 0.412698 0.901235
12 GP3 0.406504 0.91358
13 GTP 0.404762 0.888889
14 GCP 0.401575 0.86747
15 DGT 0.401575 0.86747
16 0O2 0.401515 0.9
17 GNH 0.4 0.901235
18 Y9Z 0.4 0.829545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NON; Ligand: GDP; Similar sites found with APoc: 49
This union binding pocket(no: 1) in the query (biounit: 4non.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2J0V GDP 2.35849
2 2J0V GDP 2.35849
3 1SKQ GDP 3.84615
4 1SKQ GDP 3.84615
5 4J0Q GDP 4.61538
6 4J0Q GDP 4.61538
7 3U6B GDP 4.61538
8 5W7Q GDP 4.61538
9 5W75 GDP 4.61538
10 5W76 GDP 4.61538
11 3U6K GDP 4.61538
12 5CK5 GDP 4.61538
13 5CK5 GDP 4.61538
14 5W75 GDP 4.61538
15 5CK5 GDP 4.61538
16 2BVN GNP 4.61538
17 4D0N GDP 5.40541
18 1I4D GDP 5.72917
19 1YRB GDP 6.53846
20 2HT6 GDP 6.89655
21 4DKX GDP 6.94444
22 5O74 GDP 7.22222
23 5O74 GDP 7.22222
24 5O74 GDP 7.22222
25 3N5C GDP 7.40741
26 3Q72 GNP 7.83133
27 6A8D GDP 8.85417
28 3GJ4 GDP 9.04977
29 3GJ5 GDP 9.04977
30 3GJ3 GDP 9.04977
31 3GJ7 GDP 9.04977
32 3GJ5 GDP 9.04977
33 5BXQ GDP 9.25926
34 5BXQ GDP 9.25926
35 5BXQ GDP 9.25926
36 3CH5 GDP 9.25926
37 5TB5 GDP 10.8108
38 5WHA GDP 11.7647
39 2QN6 GDP 12.9032
40 4P3Y GDP 13.1868
41 1KK1 GNP 13.4615
42 6G14 G4P 17.6923
43 3WY9 GDP 18.75
44 4DCT GDP 25.3846
45 4DCT GDP 25.3846
46 1FZQ GDP 28.7293
47 5YT0 GDP 34.6154
48 5FG3 GDP 34.6154
49 3PQC GDP 36.4103
Pocket No.: 2; Query (leader) PDB : 4NON; Ligand: GDP; Similar sites found with APoc: 274
This union binding pocket(no: 2) in the query (biounit: 4non.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2J0V GDP 2.35849
2 2J0V GDP 2.35849
3 2J0V GDP 2.35849
4 2J0V GDP 2.35849
5 2RCN GDP 2.69231
6 2RCN GDP 2.69231
7 3MD0 GDP 3.07692
8 6AU6 GDP 3.46154
9 1SKQ GDP 3.84615
10 1SKQ GDP 3.84615
11 3T5G GDP 3.8674
12 6BSX GDP 3.93258
13 6BSX E7S 3.93258
14 1FQJ GDP 4.23077
15 1BH2 GSP 4.23077
16 1FQK GDP 4.23077
17 1Y3A GDP 4.23077
18 1Y3A GDP 4.23077
19 2OM2 GDP 4.23077
20 2WKQ GTP 4.23077
21 6MHE GDP 4.23077
22 2OM2 GDP 4.23077
23 6HH2 GDP 4.44444
24 3U6B GDP 4.61538
25 4J0Q GDP 4.61538
26 4J0Q GDP 4.61538
27 4J0Q GDP 4.61538
28 4J0Q GDP 4.61538
29 1D2E GDP 4.61538
30 1D2E GDP 4.61538
31 5W75 GDP 4.61538
32 5W7Q GDP 4.61538
33 3U6B GDP 4.61538
34 1D2E GDP 4.61538
35 5W75 GDP 4.61538
36 5W75 GDP 4.61538
37 4G5G GDP 4.61538
38 3U6K GDP 4.61538
39 1D8T GDP 4.61538
40 5JBQ GDP 4.61538
41 3U6K GDP 4.61538
42 5W76 GDP 4.61538
43 1D8T GDP 4.61538
44 1D2E GDP 4.61538
45 2C78 GNP 4.61538
46 4J0Q GDP 4.61538
47 5CK5 GDP 4.61538
48 5CK5 GDP 4.61538
49 2BVN GNP 4.61538
50 5W75 GDP 4.61538
51 5CK5 GDP 4.61538
52 2GCO GNP 4.97512
53 2Y8E GNP 5.02793
54 2Y8E GNP 5.02793
55 2Y8E GNP 5.02793
56 5Z2M GTP 5.07246
57 1NF3 GNP 5.12821
58 2NGR GDP 5.2356
59 5WDR GNP 5.26316
60 5WDR GNP 5.26316
61 2WMO GTP 5.26316
62 4PC3 GDP 5.38462
63 4D0N GDP 5.40541
64 6BC0 GSP 5.40541
65 5HPY GDP 5.40541
66 3CX8 GSP 5.41872
67 1RYH GNP 5.41872
68 1KMQ GNP 5.43478
69 4YC7 GNP 5.52486
70 1I4D GDP 5.72917
71 1E96 GTP 5.72917
72 1G7S GDP 5.76923
73 3SBD GNP 5.88235
74 1MH1 GNP 5.91398
75 2W2X GSP 5.94595
76 3MJH GTP 5.95238
77 1G4U GDP 5.97826
78 1CS4 GSP 6.13208
79 4B47 GDP 6.15385
80 2FJU GSP 6.17978
81 2CJW GDP 6.25
82 2CJW GDP 6.25
83 1HE1 GDP 6.25
84 4LHW GNP 6.32184
85 4LHW GNP 6.32184
86 2FFQ GSP 6.43275
87 6IF2 GTP 6.45161
88 1G16 GDP 6.47059
89 1G16 GDP 6.47059
90 1G16 GDP 6.47059
91 1G16 GDP 6.47059
92 3Q85 GNP 6.50888
93 4V0K GDP 6.50888
94 3Q85 GNP 6.50888
95 6HDU GTP 6.52174
96 6HDU GTP 6.52174
97 4BAS GNP 6.53266
98 1YRB GDP 6.53846
99 4HDO GNP 6.58683
100 2EFE GNH 6.62983
101 3SFV GDP 6.62983
102 2EFE GNH 6.62983
103 1DS6 GDP 6.66667
104 3E5H GNP 6.74157
105 1GWN GTP 6.82927
106 1GOT GDP 6.84932
107 1ZC3 GNP 6.85714
108 2HT6 GDP 6.89655
109 2HT6 GDP 6.89655
110 4DKX GDP 6.94444
111 4DKX GDP 6.94444
112 5XKT GNP 7
113 5XKT GNP 7
114 4M9Q GNP 7.04846
115 1U8Z GDP 7.14286
116 1U8Z GDP 7.14286
117 3BC1 GNP 7.17949
118 3BC1 GNP 7.17949
119 1MR3 G3D 7.18232
120 5O74 GDP 7.22222
121 5O74 GDP 7.22222
122 5O74 GDP 7.22222
123 5O74 GDP 7.22222
124 5O74 GDP 7.22222
125 3WYF GTP 7.30594
126 3WYF GTP 7.30594
127 3M1I GTP 7.30594
128 3N5C GDP 7.40741
129 3N5C GDP 7.40741
130 3NKV GNP 7.42857
131 3RWO GDP 7.56757
132 3RWO GDP 7.56757
133 3RWO GDP 7.56757
134 3RWO GDP 7.56757
135 3CPJ GDP 7.69231
136 4KVG GTP 7.7381
137 5JCZ GDP 7.82123
138 3Q72 GNP 7.83133
139 3Q72 GNP 7.83133
140 1MKY GDP 8.07692
141 1UAD GNP 8.08081
142 1UAD GNP 8.08081
143 2HV8 GTP 8.13953
144 5UPK GNP 8.33333
145 2D7C GTP 8.38323
146 5UWU GNP 8.43882
147 6CIT GNP 8.43882
148 5UWP GNP 8.43882
149 5UWO GNP 8.43882
150 5UWQ GNP 8.43882
151 5DHF GNP 8.43882
152 5UWS GNP 8.43882
153 5UWH GNP 8.43882
154 3WYG GTP 8.79121
155 3VMF GTP 8.84615
156 6A8D GDP 8.85417
157 3GJ0 GDP 9.04977
158 3GJ0 GDP 9.04977
159 3GJ4 GDP 9.04977
160 3GJ8 GDP 9.04977
161 3GJ5 GDP 9.04977
162 3GJ3 GDP 9.04977
163 3GJ7 GDP 9.04977
164 3GJ8 GDP 9.04977
165 3GJ7 GDP 9.04977
166 3GJ5 GDP 9.04977
167 4HAT GNP 9.25926
168 1IBR GNP 9.25926
169 3GJX GTP 9.25926
170 5BXQ GDP 9.25926
171 5BXQ GDP 9.25926
172 3CH5 GDP 9.25926
173 5BXQ GDP 9.25926
174 4XOI GTP 9.25926
175 3CH5 GDP 9.25926
176 6SGE GTP 9.28962
177 6SGE GTP 9.28962
178 5EE5 GTP 9.38967
179 1TAD GDP 10
180 1TAD ALF 10
181 5KDO GDP 10
182 4DID GDP 10.5263
183 5UQW GDP 10.582
184 1DAR GDP 10.7692
185 3TK1 GDP 10.7692
186 5TB5 GDP 10.8108
187 5TB5 GDP 10.8108
188 3WYA GDP 11.1538
189 6FA3 GNP 11.6279
190 6FA3 GNP 11.6279
191 6FA3 GNP 11.6279
192 5WHA GDP 11.7647
193 5WHA GDP 11.7647
194 5WHA GDP 11.7647
195 5WHA GDP 11.7647
196 5WLB GNP 12.0482
197 2C5L GTP 12.1387
198 2C5L GTP 12.1387
199 3QBT GNP 12.1429
200 3QBT GNP 12.1429
201 4K81 GTP 12.2807
202 4K81 GTP 12.2807
203 5E95 GDP 12.5
204 6BVJ GNP 12.5749
205 6D5E GNP 12.5749
206 6D5J GNP 12.5749
207 6D5G GNP 12.5749
208 6BVK GNP 12.5749
209 6D5H GNP 12.5749
210 6D5W GNP 12.5749
211 1CLU DBG 12.6506
212 1WQ1 GDP 12.6506
213 1NVV GNP 12.6506
214 1NVV GNP 12.6506
215 3DDC GNP 12.6506
216 6CRK GDP 12.6761
217 1GP2 GDP 12.6761
218 5M04 GDP 12.6923
219 2QN6 GDP 12.9032
220 4P3Y GDP 13.1868
221 1KK1 GNP 13.4615
222 2XTZ GSP 13.4615
223 1GUA GNP 13.5802
224 1TU3 GNP 13.9241
225 1TU3 GNP 13.9241
226 1TU3 GNP 13.9241
227 2FH5 GTP 14.0187
228 2FH5 GTP 14.0187
229 4HI0 GDP 14.5669
230 4HI0 GDP 14.5669
231 3CNL GNP 14.6154
232 3REF GDP 14.9485
233 5HCN GCP 15
234 2W83 GTP 15.5844
235 2W83 GTP 15.5844
236 2W83 GTP 15.5844
237 6FF8 GTP 16.0221
238 3WXM GTP 16.1538
239 3WXM GTP 16.1538
240 3WXM GTP 16.1538
241 3WXM GTP 16.1538
242 1CXZ GSP 17.4419
243 6G14 G4P 17.6923
244 6G14 G4P 17.6923
245 1PUJ GNP 18.0769
246 3WY9 GDP 18.75
247 3WY9 GDP 18.75
248 3T12 GDP ALF 19.697
249 3T1O GDP 19.697
250 3T1O GDP 19.697
251 3DOE GTP 21.875
252 3AQ4 GDP 22.2826
253 3AQ4 GDP 22.2826
254 1KSH GDP 22.5806
255 2X77 GDP 23.8095
256 2X77 GDP 23.8095
257 4YLG GDP 24.2775
258 4YLG GDP 24.2775
259 2QTV GNP 24.5509
260 2J59 GTP 25.3012
261 2J59 GTP 25.3012
262 4DCT GDP 25.3846
263 4DCT GDP 25.3846
264 4ZI2 GNP 27.3684
265 2BME GNP 27.957
266 2BME GNP 27.957
267 1SVI GDP 28.2051
268 1TQ4 GDP 28.4615
269 1FZQ GDP 28.7293
270 2HCJ GDP 32.4324
271 5YT0 GDP 34.6154
272 5FG3 GDP 34.6154
273 3PQC GDP 36.4103
274 5UWT GNP 39.1304
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