Receptor
PDB id Resolution Class Description Source Keywords
1FX8 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE E. COLI GLYCEROL FACILITATOR (GLPF) SUBSTRATE GLYCEROL ESCHERICHIA COLI GLYCEROL-CONDUCTING MEMBRANE CHANNEL PROTEIN MEMBRANE PROTE
Ref.: STRUCTURE OF A GLYCEROL-CONDUCTING CHANNEL AND THE ITS SELECTIVITY. SCIENCE V. 290 481 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BOG A:473;
A:474;
A:475;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
292.369 C14 H28 O6 CCCCC...
GOL A:661;
A:662;
A:663;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FX8 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE E. COLI GLYCEROL FACILITATOR (GLPF) SUBSTRATE GLYCEROL ESCHERICHIA COLI GLYCEROL-CONDUCTING MEMBRANE CHANNEL PROTEIN MEMBRANE PROTE
Ref.: STRUCTURE OF A GLYCEROL-CONDUCTING CHANNEL AND THE ITS SELECTIVITY. SCIENCE V. 290 481 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 1FX8 - BOG C14 H28 O6 CCCCCCCCO[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1FX8 - BOG C14 H28 O6 CCCCCCCCO[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1FX8 - BOG C14 H28 O6 CCCCCCCCO[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BOG; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 BOG 1 1
2 HSJ 1 1
3 BNG 1 1
4 KGM 0.976744 1
5 B7G 0.976744 1
6 GLC HEX 0.909091 0.975
7 HEX GLC 0.909091 0.975
8 JZR 0.909091 0.975
9 BHG 0.909091 0.975
10 AFO 0.886364 0.904762
11 DEG 0.76087 0.9
12 LMT 0.719298 0.952381
13 UMQ 0.719298 0.952381
14 LMU 0.719298 0.952381
15 DMU 0.719298 0.952381
16 DR4 0.637931 0.904762
17 XNS 0.637931 0.904762
18 FK9 0.607143 0.904762
19 GLA GAL GLC NBU 0.548387 0.880952
20 BHE 0.545455 0.930233
21 BGB 0.542857 0.930233
22 BGL 0.526316 1
23 EBG 0.509091 0.785714
24 EBQ 0.509091 0.785714
25 6UZ 0.507463 0.795455
26 OPM MAN MAN 0.507246 0.928571
27 BHG FUC 0.492537 0.930233
28 FUC BHG 0.492537 0.930233
29 4YA 0.492537 0.930233
30 AOG FUC 0.485714 0.78
31 FEE 0.480519 0.754717
32 GLA GAL BGC 5VQ 0.47619 0.833333
33 GM3 0.473684 0.769231
34 MA4 0.465753 0.833333
35 AGH 0.461538 0.754717
36 PBS 0.461538 0.754717
37 0SH 0.461538 0.754717
38 DA8 0.458333 0.930233
39 10M 0.457143 0.888889
40 RGG 0.454545 0.731707
41 CM5 0.452055 0.833333
42 SOG 0.45 0.883721
43 MAN MMA 0.440678 0.744186
44 MMA 0.44 0.756098
45 AMG 0.44 0.756098
46 MBG 0.44 0.756098
47 GYP 0.44 0.756098
48 AIG FUC 0.43662 0.78
49 MAL EDO 0.435484 0.744186
50 03F 0.433735 0.740741
51 HTG 0.433333 0.883721
52 AD7 0.432432 0.769231
53 BGA 0.428571 0.727273
54 GAL SPH NER 0.428571 0.754717
55 BGC GLA 0.423729 0.738095
56 GLA BGC 0.423729 0.738095
57 MAN BMA 0.423729 0.738095
58 GAL GAL 0.423729 0.738095
59 LAK 0.423729 0.738095
60 MLB 0.423729 0.738095
61 BMA GLA 0.423729 0.738095
62 GLA BMA 0.423729 0.738095
63 GLA GLC 0.423729 0.738095
64 1O2 0.421687 0.909091
65 MK0 0.421053 0.784314
66 TRE 0.42 0.738095
67 GLA EGA 0.419355 0.785714
68 3TF 0.416667 0.909091
69 DGD 0.416667 0.888889
70 JLS 0.413793 0.740741
71 DLG FUC 0.410959 0.930233
72 GLC GLC GLC GLC BGC 0.409836 0.738095
73 GLC GLC GLC GLC GLC BGC 0.409836 0.738095
74 SER MAN 0.409836 0.625
75 MAN MAN MAN 0.409836 0.738095
76 GLC GLC GLC 0.409836 0.738095
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FX8; Ligand: BOG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1fx8.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1FX8; Ligand: BOG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1fx8.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1FX8; Ligand: BOG; Similar sites found: 280
This union binding pocket(no: 3) in the query (biounit: 1fx8.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.001976 0.48461 None
2 2W24 LYS 0.00003877 0.47913 None
3 3KPE TM3 0.01474 0.40224 None
4 3UEC ALA ARG TPO LYS 0.02007 0.40166 None
5 3G9E RO7 0.03895 0.40697 0.738007
6 1FS5 TLA 0.0004918 0.43646 0.75188
7 3EM1 TYD 0.003083 0.4029 1.36986
8 3L02 CP 0.001889 0.42166 1.42349
9 3L02 SN0 0.001889 0.42166 1.42349
10 1V5F FAD 0.000219 0.52089 1.77936
11 1V5F TPP 0.000219 0.52089 1.77936
12 1LTH NAD 0.00003918 0.50815 1.77936
13 2RDT FMN 0.0001724 0.48449 1.77936
14 3Q3C NAD 0.0003616 0.46987 1.77936
15 2RHW C0E 0.0007909 0.46291 1.77936
16 4G1V FAD 0.006136 0.44186 1.77936
17 1OTH PAO 0.0005462 0.44163 1.77936
18 4A8T PAO 0.00293 0.43986 1.77936
19 3IU9 T07 0.003006 0.43725 1.77936
20 1KW6 BPY 0.008248 0.42162 1.77936
21 4M5P MLA 0.029 0.41292 1.77936
22 4A8H PUW 0.005269 0.40323 1.77936
23 4C0R GDS 0.04174 0.40071 1.77936
24 2V9M CIT 0.0001924 0.4088 1.82482
25 2ZO9 MLI 0.00327 0.40661 1.82482
26 4CS4 ANP 0.007288 0.40553 1.82482
27 1QCA FUA 0.0005319 0.47216 1.87793
28 2BNF UTP 0.0005435 0.44948 2.07469
29 2HMT NAI 0.0008134 0.45226 2.08333
30 1MVQ MMA 0.00003704 0.48329 2.11864
31 2IMP NAI 0.00002167 0.5376 2.13523
32 3V91 UPG 0.0003561 0.46633 2.13523
33 1Z4V DAN 0.00026 0.45502 2.13523
34 3O03 NAP 0.004259 0.43042 2.13523
35 1O9U ADZ 0.01324 0.42307 2.13523
36 2IMP LAC 0.0007382 0.41824 2.13523
37 3O03 GCO 0.0003244 0.41536 2.13523
38 3C2O NTM 0.02732 0.41273 2.13523
39 1YB5 NAP 0.004297 0.41085 2.13523
40 1TV5 N8E 0.0009005 0.40457 2.13523
41 3MAG 3MA 0.04427 0.40321 2.13523
42 1TV5 A26 0.0002906 0.40277 2.13523
43 3OIG NAD 0.0003758 0.47439 2.25564
44 3OIG IMJ 0.00009838 0.47073 2.25564
45 2QIA U20 0.01542 0.40547 2.29008
46 2JEN GLC GLC BGC XYS BGC XYS 0.002391 0.44942 2.29885
47 2JEN GLC GLC XYS XYS 0.001999 0.43415 2.29885
48 4DA6 GA2 0.0002438 0.47849 2.37154
49 2H6B 3C4 0.00006961 0.5002 2.4
50 1YBH FAD 0.0001736 0.50377 2.4911
51 2GGH NLQ 0.00003973 0.48841 2.4911
52 4OYA 1VE 0.000619 0.48594 2.4911
53 1YBH P22 0.0001114 0.46566 2.4911
54 1P4C FMN 0.001067 0.46054 2.4911
55 2ZI8 SDT 0.0001799 0.4548 2.4911
56 1RM4 NDP 0.003153 0.43715 2.4911
57 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.002323 0.4357 2.4911
58 4G87 UD1 0.00272 0.43035 2.4911
59 4QN7 G39 0.001897 0.42536 2.4911
60 1YBH CIE 0.003687 0.4189 2.4911
61 1ML4 PAL 0.001091 0.41336 2.4911
62 4B7J G39 0.003533 0.41282 2.4911
63 2BJK NAD 0.01592 0.40491 2.4911
64 1JSH SIA GAL 0.002634 0.40276 2.4911
65 2F2U M77 0.004881 0.40227 2.4911
66 2FMD MAN MAN 0.00002681 0.46822 2.5
67 3VKX T3 0.002195 0.40277 2.68199
68 4TMK T5A 0.0002192 0.5099 2.8169
69 4C25 13P 0.00005963 0.47231 2.83019
70 1LO8 4CA 0.002767 0.44087 2.83688
71 1SAY PYR 0.002351 0.46771 2.84698
72 1T26 NAI 0.003532 0.45163 2.84698
73 1T26 GBD 0.003532 0.45163 2.84698
74 1V1A ADP 0.002204 0.41508 2.84698
75 1FL2 FAD 0.005762 0.41249 2.84698
76 2W8Q SIN 0.00112 0.41195 2.84698
77 4Q3R XA2 0.003661 0.40263 2.84698
78 3QVL 5HY 0.0003188 0.47111 2.85714
79 2BGM NAJ 0.001585 0.44766 2.8777
80 2BGM MAX 0.0005788 0.42965 2.8777
81 4U36 TNR 0.0004101 0.43499 2.91667
82 4JP3 CIT 0.00005495 0.48014 2.92887
83 2PAR TMP 0.004394 0.41946 2.98507
84 3RO7 TDR 0.0004124 0.49189 3.01887
85 1M5B BN1 0.008667 0.41801 3.04183
86 4KCF AKM 0.0000007519 0.57378 3.20285
87 1K97 ASP 0.0000618 0.52001 3.20285
88 1K97 CIR 0.0000618 0.52001 3.20285
89 1LDM NAD 0.0001294 0.49638 3.20285
90 3K37 BCZ 0.0007843 0.47136 3.20285
91 4KCF FMN 0.0001757 0.46683 3.20285
92 4CMF PXG 0.0004397 0.46466 3.20285
93 4HZD COA 0.000587 0.4445 3.20285
94 4QN6 LNV 0.0007157 0.44374 3.20285
95 1CR1 TTP 0.00533 0.43321 3.20285
96 1ZFJ IMP 0.0228 0.41783 3.20285
97 3CL7 HYN 0.002274 0.40844 3.20285
98 3JDW ORN 0.01737 0.40575 3.20285
99 3KDU NKS 0.04413 0.41006 3.2491
100 1RSD PSB 0.0006766 0.50458 3.30579
101 4HGP KDO 0.0006926 0.4418 3.33333
102 3NBK PNS 0.002998 0.41421 3.38983
103 3S9K CIT 0.0298 0.4112 3.38983
104 1Z34 2FD 0.007281 0.41732 3.40426
105 1WVC CTP 0.0001863 0.50123 3.4749
106 4AP9 1PS 0.0001116 0.44672 3.48259
107 3BY8 MLT 0.01624 0.4059 3.52113
108 4LTN NAI 0.00003849 0.50421 3.5533
109 4LTN FMN 0.0001433 0.47749 3.5533
110 4IVG ANP 0.000001033 0.56834 3.55872
111 3L8W XAN 0.0002037 0.48338 3.55872
112 4RJK PYR 0.003847 0.46883 3.55872
113 4KQL 1SG 0.003562 0.43642 3.55872
114 3HPF GAE 0.00101 0.43564 3.55872
115 2NZ2 CIR 0.001758 0.41566 3.55872
116 4AT0 FAD 0.008286 0.41269 3.55872
117 3GU3 SAH 0.008861 0.41074 3.55872
118 4HZX G39 0.00712 0.40797 3.55872
119 1UF5 CDT 0.004258 0.40456 3.55872
120 3EJ0 11X 0.003809 0.40201 3.57143
121 1ZK4 AC0 0.007227 0.43234 3.58566
122 1ZK4 NAP 0.007227 0.43234 3.58566
123 2PNZ UDP 0.00009875 0.45896 3.61446
124 2PJL 047 0.002322 0.42024 3.64372
125 3H86 AP5 0.009638 0.40885 3.64583
126 1C1L GAL BGC 0.01347 0.40964 3.64964
127 1DRV A3D 0.0003858 0.46497 3.663
128 2QXX TTP 0.003563 0.41507 3.68421
129 1EDO NAP 0.00004887 0.51687 3.68852
130 4NVP 7CH 0.003479 0.41546 3.82775
131 1XX4 BAM 0.0004392 0.45851 3.83142
132 4FR3 0V4 0.001331 0.45863 3.84615
133 4FR3 LYS ARG ARG LYS SEP VAL 0.001331 0.45863 3.84615
134 2F3R G5P 0.004053 0.42489 3.86473
135 1G8S MET 0.01567 0.40106 3.91304
136 3M0J OAF 0.000004968 0.51545 3.91459
137 2YYJ FAD 0.0001307 0.5064 3.91459
138 2YYJ 4HP 0.0001307 0.5064 3.91459
139 1G6O ADP 0.00006811 0.50058 3.91459
140 4MWV BCZ 0.00002455 0.4992 3.91459
141 1DXY NAD 0.0003102 0.49548 3.91459
142 4LCQ URQ 0.00003579 0.4804 3.91459
143 2TOH HBI 0.0001643 0.44916 3.91459
144 3FSY SCA 0.001034 0.4371 3.91459
145 1RRC ADP 0.0004766 0.42891 3.91459
146 1DXY COI 0.0008013 0.42633 3.91459
147 1QW9 KHP 0.001378 0.41787 3.91459
148 1H82 FAD 0.017 0.40621 3.91459
149 3LTW HLZ 0.01385 0.40343 3.92857
150 1BDB NAD 0.0006061 0.47337 3.97112
151 2PN6 GLN 0.005879 0.43267 4
152 2WIC GNP 0.001251 0.41684 4.11985
153 1O6B ADP 0.000009471 0.52442 4.14201
154 2XD9 XD9 0.007392 0.45058 4.19162
155 3QDT A2G GAL 0.008706 0.42491 4.1958
156 1A5Z OXM 0.00002235 0.54823 4.27046
157 2P2V CSF 0.00001623 0.52117 4.27046
158 2R7K AMZ 0.0005163 0.48773 4.27046
159 2R7K ACP 0.0005163 0.48773 4.27046
160 1N6B DMZ 0.0004725 0.45057 4.27046
161 1A5Z FBP 0.0001218 0.42554 4.27046
162 3Q2I HP7 0.02522 0.40182 4.27046
163 2FWP CIT 0.00001927 0.49375 4.37158
164 2FWP ICR 0.0003627 0.45235 4.37158
165 1UQX MMA 0.0006339 0.42824 4.42478
166 4KQI RBZ 0.00483 0.40527 4.62633
167 4KQI NIO 0.00483 0.40527 4.62633
168 1D3V ABH 0.003363 0.40395 4.62633
169 3TO7 COA 0.0001269 0.47349 4.71014
170 3K9W ADE 0.0001731 0.50796 4.81283
171 3K9W 4PS 0.0001731 0.50796 4.81283
172 4TSK NDP 0.00005912 0.50492 4.85714
173 4M6T SAM 0.001203 0.43636 4.91803
174 2GN2 C5P 0.00005428 0.45261 4.97076
175 2BLE 5GP 0.00003431 0.51627 4.98221
176 1OMZ UD2 0.00001874 0.51168 4.98221
177 2NLI LAC 0.0000826 0.4933 4.98221
178 2NLI FMN 0.0000826 0.4933 4.98221
179 3FSJ D7K 0.0002799 0.48576 4.98221
180 3VOZ 04A 0.0001895 0.43406 4.98221
181 1WL4 COA 0.003339 0.42455 4.98221
182 2QCX PF1 0.0104 0.40357 4.98221
183 4BPM GSH 0.0001 0.45876 5.05618
184 1QJC PNS 0.005956 0.42196 5.06329
185 1VQ2 DDN 0.00004871 0.51192 5.18135
186 4IAE 1DX 0.002185 0.43675 5.29101
187 3UXL CFI 0.000799 0.47695 5.33808
188 3Q9T FAY 0.002132 0.4269 5.33808
189 1G7V PAI 0.004845 0.41437 5.33808
190 1I9G SAM 0.0000436 0.49984 5.35714
191 1NVV GNP 0.0001829 0.48347 5.42169
192 1NVU GTP 0.0007007 0.4602 5.42169
193 3MB5 SAM 0.0011 0.44895 5.4902
194 1GR0 NAD 0.0001509 0.4997 5.69395
195 4IU0 ABH 0.001091 0.41624 5.69395
196 4A3R CIT 0.004201 0.41238 5.69395
197 1A8S PPI 0.0003908 0.44158 5.86081
198 4LBP 1WG 0.0001362 0.45922 6
199 3CXO 3LR 0.00005421 0.47382 6.04982
200 2P8B NSK 0.001748 0.46943 6.04982
201 2OWZ CIT 0.00007803 0.45659 6.04982
202 4HE2 AMP 0.0002763 0.45111 6.04982
203 4HPP GLU 0.0004334 0.44945 6.04982
204 2OWZ F6P 0.001549 0.43329 6.04982
205 3CXO 1N5 0.006108 0.4015 6.04982
206 1NME 159 0.00004652 0.44459 6.16438
207 2NT8 ATP 0.004407 0.40407 6.27803
208 4EKV BTN 0.00004257 0.48426 6.28931
209 2QS8 MET 0.00003446 0.481 6.40569
210 3WE0 FAD 0.002449 0.42977 6.40569
211 2Q8H TF4 0.01895 0.41529 6.40569
212 2DUA OXL 0.00151 0.40744 6.40569
213 2VJJ RAM GLC GAL NAG NAG GLC 0.01505 0.40364 6.40569
214 1SS4 GSH 0.01213 0.4412 6.53595
215 1D09 PAL 0.03092 0.41527 6.53595
216 1X1T NAD 0.004504 0.43745 6.53846
217 4IZC 1GZ 0.000878 0.45236 6.54545
218 2BNE U5P 0.0001142 0.46905 6.639
219 4AF0 IMP 0.0003194 0.46818 6.65468
220 4AF0 MOA 0.001428 0.41566 6.65468
221 1YOE RIB 0.00007943 0.46776 6.76157
222 3A8U PLP 0.001602 0.41387 6.76157
223 4I9A NCN 0.004789 0.40275 6.76157
224 1OFH ADP 0.001326 0.45155 6.89655
225 1T0S BML 0.009518 0.42306 6.97674
226 3MMR ABH 0.000202 0.48175 7.11744
227 2A0W DIH 0.0006005 0.44216 7.11744
228 4MOB COA 0.00589 0.4101 7.11744
229 3NOJ PYR 0.00998 0.40177 7.14286
230 1MVN FMN 0.0004542 0.45244 7.17703
231 1MVN PCO 0.002511 0.43925 7.17703
232 1JH7 UVC 0.001221 0.43611 7.40741
233 1GSA GSH 0.00001254 0.51583 7.47331
234 1GSA ADP 0.0000874 0.49025 7.47331
235 1ME8 RVP 0.0003468 0.48739 7.47331
236 1Q3Q ANP 0.0004036 0.47148 7.47331
237 1Z44 NPO 0.02207 0.4273 7.47331
238 2XDQ MGX 0.0111 0.4269 7.47331
239 2JE7 XMM 0.0000357 0.47676 7.53138
240 1SBZ FMN 0.0003564 0.4485 7.61421
241 3ZZS TRP 0.00003017 0.4929 7.69231
242 4UBP HAE 0.001087 0.41341 7.92079
243 1JA9 NDP 0.0003728 0.48066 8.0292
244 1JA9 PYQ 0.0004473 0.44037 8.0292
245 1VCO GLN 0.00001633 0.48903 8.18505
246 3CKZ ZMR 0.0002661 0.46485 8.18505
247 4AAW R84 0.001311 0.44413 8.18505
248 1FA2 DOM 0.0007664 0.43183 8.18505
249 4N02 FNR 0.0005969 0.46124 8.54093
250 2IXB A2G 0.006211 0.40922 8.54093
251 3ZPG 5GP 0.02874 0.40621 8.54093
252 3ZZL TRP 0.005404 0.41256 8.57143
253 2EB5 OXL 0.01525 0.40159 8.61423
254 2C1Q BTN 0.000263 0.46268 8.73016
255 4QDC ASD 0.001663 0.4173 8.8968
256 2X61 NGA GAL SIA 0.0001644 0.48712 8.91473
257 2X61 CH 0.00007061 0.48447 8.91473
258 1OD6 PNS 0.0007104 0.45735 9.375
259 1C3M MAN MAN 0.0004231 0.4082 9.52381
260 3VHZ L2P GLC MAN SGA 0.01452 0.41439 9.54198
261 1XP8 AGS 0.0001619 0.47656 9.60854
262 4DEM YS4 0.01869 0.41604 9.60854
263 1JCM 137 0.0005242 0.43785 10.0386
264 3LEO GSH 0.001369 0.42263 10.3226
265 1SAZ ACP 0.0004663 0.48074 12.0996
266 1BTN I3P 0.04243 0.41359 12.2642
267 2Q37 3AL 0.004488 0.41913 12.7072
268 2P4T NAP 0.0003351 0.44802 12.9032
269 4GQB 0XU 0.000409 0.46775 13.1673
270 1XMV ADP 0.001333 0.44654 13.1673
271 3CH5 GDP 0.0007346 0.43823 13.4615
272 1KGQ SCO 0.02059 0.41224 13.8686
273 1KGQ NPI 0.01974 0.41222 13.8686
274 2NCD ADP 0.01106 0.40243 13.879
275 1NJF AGS 0.01721 0.42003 14
276 2GJ3 FAD 0.003239 0.41102 14.1667
277 2V5E SCR 0.003101 0.46359 14.8515
278 4NG2 OHN 0.02344 0.40415 19.469
279 1F8F NAD 0.00001494 0.52686 22.4199
280 4F4S EFO 0.002541 0.42377 35.5263
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