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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 1443 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 1205 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 1039 families.
1 1FX8 - BOG C14 H28 O6 CCCCCCCCO[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BOG; Similar ligands found: 82
No: Ligand ECFP6 Tc MDL keys Tc
1 HSJ 1 1
2 BOG 1 1
3 BNG 1 1
4 KGM 0.976744 1
5 B7G 0.976744 1
6 BHG 0.909091 0.975
7 GLC HEX 0.909091 0.975
8 JZR 0.909091 0.975
9 AFO 0.886364 0.904762
10 DEG 0.76087 0.9
11 LMU 0.719298 0.952381
12 UMQ 0.719298 0.952381
13 DMU 0.719298 0.952381
14 LMT 0.719298 0.952381
15 XNS 0.637931 0.904762
16 DR4 0.637931 0.904762
17 FK9 0.607143 0.904762
18 GLA GAL GLC NBU 0.548387 0.880952
19 BHE 0.545455 0.930233
20 BGB 0.542857 0.930233
21 EBQ 0.537037 0.829268
22 BGL 0.526316 1
23 EBG 0.509091 0.785714
24 6UZ 0.507463 0.795455
25 OPM MAN MAN 0.507246 0.928571
26 4YA 0.492537 0.930233
27 FUC BHG 0.492537 0.930233
28 BHG FUC 0.492537 0.930233
29 AOG FUC 0.485714 0.769231
30 FEE 0.480519 0.754717
31 GLA GAL BGC 5VQ 0.47619 0.833333
32 GM3 0.473684 0.769231
33 MA4 0.465753 0.833333
34 F61 0.461538 0.754717
35 AGH 0.461538 0.754717
36 0SH 0.461538 0.754717
37 PBS 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 AMG 0.44 0.756098
45 GYP 0.44 0.756098
46 MBG 0.44 0.756098
47 MMA 0.44 0.756098
48 AIG FUC 0.43662 0.769231
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 MLB 0.423729 0.738095
56 GAL GLC 0.423729 0.738095
57 MAN BMA 0.423729 0.738095
58 GLA BMA 0.423729 0.738095
59 GLA GLC 0.423729 0.738095
60 BMA GLA 0.423729 0.738095
61 MAN MAN 0.423729 0.738095
62 GLC GLC 0.423729 0.738095
63 BGC GLC 0.423729 0.738095
64 GLC BGC 0.423729 0.738095
65 LAK 0.423729 0.738095
66 GLA BGC 0.423729 0.738095
67 BGC GLA 0.423729 0.738095
68 GAL GAL 0.423729 0.738095
69 BMA MAN 0.423729 0.738095
70 1O2 0.421687 0.909091
71 MK0 0.421053 0.784314
72 TRE 0.42 0.738095
73 GLA EGA 0.419355 0.785714
74 DGD 0.416667 0.888889
75 3TF 0.416667 0.909091
76 JLS 0.413793 0.740741
77 DLG FUC 0.410959 0.930233
78 GLC GLC GLC GLC BGC 0.409836 0.738095
79 GLC GLC GLC 0.409836 0.738095
80 BMA MAN MAN 0.409836 0.738095
81 MAN MAN MAN 0.409836 0.738095
82 GLC GLC GLC GLC GLC BGC 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 with APoc: 274
This union binding pocket(no: 1) in the query (biounit: 1fx8.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPE TM3 None
2 5MT9 ARG None
3 5MT9 SRO None
4 1HBK MYR None
5 3FUR Z12 0.735294
6 1BGQ RDC 0.888889
7 1FCH TYR GLN SER LYS LEU 1.06762
8 4R6W PC 1.16279
9 5B4B LP5 1.20968
10 5F1R 42O 1.26582
11 5WGD EST 1.53257
12 5DXE EST 1.53257
13 5WGQ EST 1.53257
14 2QZO KN1 1.55039
15 5HYR EST 1.55039
16 2QA8 GEN 1.55039
17 4TUZ 36J 1.56863
18 4MG8 27J 1.56863
19 4MGB XDH 1.56863
20 4MG7 27H 1.56863
21 4MGD 27N 1.56863
22 4TV1 36M 1.59363
23 3UUD EST 1.59363
24 2QE4 JJ3 1.6129
25 2EIX FAD 1.64609
26 1JQ9 PHE LEU SER TYR LYS 1.65289
27 1VBI NAD 1.77936
28 5BNS 4VM 1.77936
29 4KVX ACO 1.92308
30 4B5P ACO 2
31 3BEJ MUF 2.10084
32 2XSU PIE 2.13523
33 2VL8 UDP 2.13523
34 2VL8 CTS 2.13523
35 3ABA FLI 2.13523
36 5IH1 GDP 2.13523
37 5IH1 6BQ 2.13523
38 1P0H COA 2.13523
39 1P0H ACO 2.13523
40 1DMH LIO 2.13523
41 4Z87 GDP 2.13523
42 1TV5 N8E 2.13523
43 5W7D PX8 2.13523
44 3OKI OKI 2.14592
45 3RUU 37G 2.18341
46 5ICK FEZ 2.18341
47 4OIV XX9 2.21239
48 2H92 C5P 2.28311
49 3GYT DL4 2.45902
50 3EE4 MYR 2.4911
51 5GUE GGS 2.4911
52 4V24 GYR 2.4911
53 3GGO NAI 2.4911
54 2CNT COA 2.5
55 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 2.51046
56 2YI0 YI0 2.62009
57 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 2.63158
58 1YC4 43P 2.65152
59 4LSJ LSJ 2.71318
60 1M2Z DEX 2.72374
61 3BQD DAY 2.7451
62 4P6X HCY 2.7451
63 1YKI FMN 2.76498
64 5AAV GW5 2.77778
65 4P6W MOF 2.77778
66 3G5N PB2 2.84698
67 2JJK R15 2.84698
68 4LY9 1YY 2.84698
69 4LY9 S6P 2.84698
70 2GMH UQ5 2.84698
71 5LGA 6VH 2.84698
72 2HHP FLC 2.84698
73 3W54 RNB 2.84698
74 4KVL PLM 2.84698
75 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 2.84698
76 4CDN FO1 2.84698
77 4CDN FAD 2.84698
78 4YDU ADP 2.84698
79 3R9C ECL 2.84698
80 4I6G FAD 2.84698
81 5G5W R8C 2.85714
82 1NHZ 486 2.85714
83 4PGK Y69 2.86885
84 1CMC SAM 2.88462
85 1ZDT PEF 2.90456
86 5X3R 7Y3 2.92683
87 5XJ8 NKO 2.98507
88 5XJ7 87O 2.98507
89 3LLI FAD 3.06513
90 1Q2C COA 3.08642
91 1YUC EPH 3.13725
92 5J6D 6H5 3.20285
93 2YPO PHE 3.20285
94 3IWK NAD 3.20285
95 5KOR GDP 3.20285
96 2XMY CDK 3.20285
97 1I00 D16 3.20285
98 1I00 UMP 3.20285
99 4EIL FOL 3.20285
100 3KDU NKS 3.2491
101 5UNJ RJW 3.26531
102 1PZO CBT 3.42205
103 3ANP DCC 3.43137
104 5FM0 WAQ 3.46154
105 1N46 PFA 3.48837
106 4H6U ACO 3.5
107 2I0G I0G 3.50195
108 4LWU 20U 3.52941
109 5TUX ECH 3.55872
110 4OKS 2T9 3.55872
111 3H78 BE2 3.55872
112 2EV1 OLA 3.6036
113 4OR7 25U 3.63636
114 5UC4 83S 3.63636
115 1YMT DR9 3.65854
116 1UHK CZN 3.66492
117 1U3R 338 3.73444
118 2YJD YJD 3.75
119 3OLL EST 3.75
120 3V49 PK0 3.7594
121 5APK 76E 3.77358
122 4FHT DHB 3.82166
123 1SR7 MOF 3.861
124 4OAR 2S0 3.87597
125 2AX9 BHM 3.90625
126 3B99 U51 3.91459
127 1OLM VTQ 3.91459
128 2RH1 CLR 3.91459
129 2PSJ CEI 3.91459
130 5LS7 ACO 3.92157
131 1KDO C 3.96476
132 3IIS PID 3.97351
133 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 4.0404
134 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 4.0404
135 2QHD DAO 4.09836
136 3JZB 4HY 4.11985
137 4IS0 1R4 4.14938
138 3FAP ARD 4.25532
139 2J07 FAD 4.27046
140 2J07 HDF 4.27046
141 3UMV FAD 4.27046
142 4YSX E23 4.27046
143 4ZE0 VOR 4.27046
144 4L1F COS 4.27046
145 1TMX HGX 4.27046
146 4RW3 SHV 4.30464
147 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 4.36508
148 5IXK 6EW 4.38596
149 2Q1H AS4 4.4
150 2GSQ GBI 4.45545
151 4RPO T6C 4.4843
152 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 4.5
153 2R40 EPH 4.51128
154 5F2T PLM 4.62633
155 6DIO CIT 4.62633
156 2WPW ACO 4.62633
157 5Y02 HBX 4.6729
158 5G3N X28 4.72441
159 5CJH 522 4.98221
160 1JQI CAA 4.98221
161 6CB2 OLC 4.98221
162 6EOP SER LEU ARG PHE LEU TYR GLU GLY 4.98221
163 5IKH 6BW 4.98221
164 4E2J MOF 5.2
165 3GN8 DEX 5.22088
166 5UFS 1TA 5.24194
167 4IGH FMN 5.33808
168 4IGH 1EA 5.33808
169 4IGH ORO 5.33808
170 3IAE D7K 5.33808
171 5LX9 OLB 5.33808
172 1UUO FMN 5.33808
173 1UUO BRF 5.33808
174 1UUO ORO 5.33808
175 5X5U NAD 5.33808
176 4RC8 STE 5.40541
177 1YOK P6L 5.46875
178 3RY9 1CA 5.6
179 6AYB KKK 5.69395
180 2Q6B HR2 5.69395
181 4I4B 1CV 5.69395
182 4M52 M52 5.69395
183 4I4B NAD 5.69395
184 6F6E PLM 5.6962
185 5K53 STE 5.72519
186 4V1F BQ1 5.81395
187 5EY0 GTP 5.83942
188 5BQI 4UL 5.84416
189 5BQI GSH 5.84416
190 5UC1 486 5.85586
191 2NNQ T4B 6.10687
192 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 6.12245
193 2D5Z L35 6.16438
194 3L0E G58 6.32411
195 3KFC 61X 6.32411
196 3N7H DE3 6.4
197 5DEY 59T 6.40569
198 3OGN 3OG 6.45161
199 4DK7 0KS 6.47773
200 1YYE 196 6.71642
201 4AVB ACO 6.76157
202 4UHL VFV 6.76157
203 1DB1 VDX 6.94981
204 4IBF 1D5 6.97674
205 3B96 MYA 7.11744
206 5MWY YNU 7.47331
207 5L7G 6QE 7.47331
208 4HBM 0Y7 7.5
209 4CRZ ACO 7.69231
210 4UDB CV7 7.72059
211 8CAT NDP 7.82918
212 4XB4 45D 7.89474
213 3WDM ADN 8.04598
214 3IPQ 965 8.12721
215 5HCV 60R 8.17121
216 4EJ1 FOL 8.1761
217 1BUC CAA 8.18505
218 5CYV WCA 8.21918
219 3UP3 XCA 8.23045
220 2A3I C0R 8.3004
221 4QC6 30N 8.37989
222 6D28 NEC 8.42491
223 6C1R EFD 8.53081
224 1H9G COA MYR 8.64198
225 1XVB 3BR 8.82353
226 3TDC 0EU 8.8968
227 2X24 X24 8.8968
228 4H07 IPH 9.09091
229 4RHE FMN 9.09091
230 4F7E 0SH 9.18367
231 5LWY OLB 9.34579
232 4OAS 2SW 9.375
233 1JR8 FAD 9.40171
234 4LH0 GLV 9.60854
235 2GFD RDA 9.74576
236 4QWT ACD 9.96441
237 2HKJ RDC 9.96441
238 3SFI 3SF 10.1695
239 3NRR D16 10.3203
240 3NRR UMP 10.3203
241 3LEO GSH 10.3226
242 4XOQ F42 10.628
243 4WQ2 3SU 10.9827
244 5XDT ZI7 11.032
245 5WZU 7W3 11.3821
246 2XN5 FUN 11.4286
247 1S8G DAO 11.5702
248 2BHW LUX 11.6379
249 3IA4 MTX 11.7284
250 3FAL REA 11.9835
251 3FAL LO2 11.9835
252 4WZ8 3W7 12.0996
253 6A5Y 9CR 12.1849
254 1FM9 9CR 12.1849
255 6A5Y 9R0 12.1849
256 6GL8 F3Q 12.2093
257 4POJ 2VP 12.5541
258 4M8E 29V 12.5541
259 2ED4 FAD 12.7517
260 2VBQ BSJ 13.3333
261 4NB5 2JT 14.0351
262 6C28 WCA 15.0538
263 2XCM ADP 16.3043
264 1USF FMN 17.9775
265 1USF NAP 17.9775
266 4I67 G G G RPC 18.3908
267 5D9J 0N8 18.7166
268 5ZCO TGL 21.4286
269 5Z84 TGL 21.4286
270 2DYR TGL 21.4286
271 2DYS TGL 21.4286
272 4OGQ 2WM 25.8065
273 4OGQ 7PH 25.8065
274 4IHL 1F5 30.5556
Pocket No.: 2; Query (leader) PDB : 1FX8; Ligand: BOG; Similar sites found with APoc: 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 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1FX8; Ligand: BOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1fx8.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1FX8; Ligand: BOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1fx8.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1FX8; Ligand: BOG; Similar sites found with APoc: 7
This union binding pocket(no: 5) in the query (biounit: 1fx8.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4XCB HY0 3.06513
2 5AXH GLC GLC GLC GLC 4.98221
3 2C49 ANP 5.33808
4 3AJH BL3 6.85484
5 5AE2 FYC 8.8968
6 5AE2 FAD 8.8968
7 4TSM MTT 11.7438
Pocket No.: 6; Query (leader) PDB : 1FX8; Ligand: BOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1fx8.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1FX8; Ligand: BOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1fx8.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1FX8; Ligand: BOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1fx8.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1FX8; Ligand: BOG; Similar sites found with APoc: 29
This union binding pocket(no: 9) in the query (biounit: 1fx8.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3G9E RO7 0.738007
2 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 1.77936
3 4C0R GDS 1.77936
4 4OBW SAM 2.72374
5 2I0K FAD 2.84698
6 5N5U 7N8 2.84698
7 3JDW ORN 3.20285
8 3GU3 SAH 3.55872
9 6F97 FAD 3.55872
10 1LDN NAD 3.55872
11 3EM0 CHD 3.62319
12 1UCN ADP 3.94737
13 5N7O 69Y 4.0724
14 5NTP 98E 4.20168
15 5T79 NDP 4.27046
16 4O4Z N2O 4.54545
17 4JTA NAP 4.62633
18 5JM8 ATP 4.62633
19 2V51 ATP 4.62633
20 6G5J EM8 4.84848
21 4CQM NAP 6.14754
22 2AKO ADP 7.17131
23 4X3R 686 8.54093
24 5EXE 5SR 12.8114
25 1NJF AGS 14
26 4Y30 49L 14.2349
27 4NG2 OHN 19.469
28 5ZCO PSC 21.4286
29 5Z84 PSC 21.4286
Pocket No.: 10; Query (leader) PDB : 1FX8; Ligand: BOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1fx8.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1FX8; Ligand: BOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1fx8.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1FX8; Ligand: BOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1fx8.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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