Receptor
PDB id Resolution Class Description Source Keywords
1fui 2.5 Å EC: 5.3.1.3 L-FUCOSE ISOMERASE FROM ESCHERICHIA COLI ESCHERICHIA COLI ISOMERASE KETOL ISOMERASE FUCOSE METABOLISM L-FUCOSE TO LCONVERSION
Ref.: STRUCTURE AND MECHANISM OF L-FUCOSE ISOMERASE FROM ESCHERICHIA COLI. J.MOL.BIOL. V. 273 256 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FOC A:594;
B:593;
C:593;
D:594;
E:593;
F:592;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 submit data
166.172 C6 H14 O5 C[C@@...
MN A:592;
B:592;
C:592;
D:592;
E:592;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
 submit data
54.938 Mn [Mn+2...
SO4 A:593;
D:593;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FUI 2.5 Å EC: 5.3.1.3 L-FUCOSE ISOMERASE FROM ESCHERICHIA COLI ESCHERICHIA COLI ISOMERASE KETOL ISOMERASE FUCOSE METABOLISM L-FUCOSE TO LCONVERSION
Ref.: STRUCTURE AND MECHANISM OF L-FUCOSE ISOMERASE FROM ESCHERICHIA COLI. J.MOL.BIOL. V. 273 256 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1FUI - FOC C6 H14 O5 C[C@@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1FUI - FOC C6 H14 O5 C[C@@H]([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1FUI - FOC C6 H14 O5 C[C@@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FOC; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 RNT 1 1
2 FOC 1 1
3 MTL 0.6 0.909091
4 SOR 0.6 0.909091
5 RB0 0.454545 0.869565
6 XYL 0.454545 0.869565
7 MMN 0.4375 0.617647
8 GLO 0.4 0.909091
9 3BU 0.4 0.909091
10 DNO 0.4 0.909091
11 AOS 0.4 0.909091
Similar Ligands (3D)
Ligand no: 1; Ligand: FOC; Similar ligands found: 432
No: Ligand Similarity coefficient
1 LFC 0.9572
2 SRT 0.9561
3 EHM 0.9548
4 MLT 0.9436
5 TAG 0.9424
6 RBL 0.9395
7 TAR 0.9393
8 GLU 0.9357
9 TLA 0.9346
10 LPK 0.9344
11 PSJ 0.9338
12 XLS 0.9331
13 LMR 0.9327
14 MUC 0.9327
15 ROR 0.9327
16 CRN 0.9326
17 ASP 0.9321
18 HL5 0.9313
19 GLN 0.9304
20 PNZ 0.9304
21 DAL DAL 0.9302
22 AKG 0.9302
23 HIS 0.9301
24 OAA 0.9297
25 LEU 0.9293
26 ASN 0.9291
27 ISZ 0.9286
28 KMH 0.9279
29 HGA 0.9276
30 QDK 0.9263
31 DAS 0.9263
32 BHO 0.9262
33 ORN 0.9258
34 SKG 0.9256
35 SPV 0.9252
36 HYA 0.9251
37 5FX 0.9248
38 F9P 0.9242
39 173 0.9234
40 4NC 0.9227
41 PEP 0.9216
42 7N0 0.9215
43 FUD 0.9215
44 MEV 0.9211
45 AL0 0.9211
46 FIX 0.9211
47 5CU 0.9211
48 DOB 0.9210
49 RNS 0.9208
50 2CO 0.9206
51 ACH 0.9205
52 ZGL 0.9204
53 2HG 0.9203
54 HDH 0.9200
55 7A8 0.9193
56 4BZ 0.9189
57 8EW 0.9185
58 FBM 0.9185
59 MD0 0.9184
60 3LR 0.9184
61 SKJ 0.9183
62 PPR 0.9183
63 XUL 0.9181
64 RAT 0.9180
65 ILE 0.9180
66 NPO 0.9180
67 AHB 0.9180
68 1SA 0.9179
69 2RH 0.9179
70 SDD 0.9177
71 MNM 0.9177
72 FA0 0.9174
73 13P 0.9172
74 BPN 0.9155
75 FEH 0.9154
76 RB5 0.9154
77 DGN 0.9153
78 LNO 0.9150
79 FSG 0.9148
80 5OB 0.9146
81 PMF 0.9145
82 5XB 0.9140
83 8OZ 0.9139
84 LLH 0.9138
85 NF3 0.9138
86 BHA 0.9137
87 6JN 0.9136
88 TEO 0.9135
89 DHS 0.9133
90 KOJ 0.9133
91 GRO 0.9131
92 DGL 0.9118
93 GOJ 0.9118
94 K6H 0.9116
95 SEP 0.9113
96 2AL 0.9112
97 BZ3 0.9110
98 4FA 0.9110
99 OGA 0.9110
100 1GP 0.9110
101 41K 0.9109
102 1CO 0.9109
103 4NM 0.9109
104 MS9 0.9107
105 G3H 0.9106
106 SOL 0.9106
107 4M0 0.9105
108 NIZ 0.9103
109 4P5 0.9102
110 HIO 0.9102
111 GLL 0.9101
112 C5A 0.9100
113 5XC 0.9100
114 IOM 0.9098
115 COI 0.9098
116 G3P 0.9098
117 TPO 0.9097
118 T9G 0.9095
119 MET 0.9094
120 ICF 0.9094
121 449 0.9090
122 PKU 0.9089
123 GLY GLY 0.9089
124 98J 0.9088
125 1LN 0.9088
126 DHI 0.9087
127 0OC 0.9087
128 2PG 0.9087
129 3V4 0.9085
130 A3M 0.9085
131 E5X 0.9081
132 3PG 0.9078
133 SHA 0.9077
134 HBD 0.9077
135 L14 0.9064
136 K6V 0.9062
137 AMH 0.9060
138 XBT 0.9060
139 PZM 0.9057
140 1SH 0.9055
141 9SE 0.9055
142 KDG 0.9052
143 RMN 0.9043
144 OSE 0.9043
145 IXW 0.9041
146 9YT 0.9041
147 3SL 0.9041
148 FCR 0.9040
149 1DV 0.9040
150 PLU 0.9040
151 UY7 0.9033
152 OEM 0.9031
153 9ON 0.9030
154 FUM 0.9029
155 TIU 0.9028
156 GP9 0.9028
157 S2G 0.9027
158 PAC 0.9026
159 SPA 0.9025
160 CS2 0.9024
161 PPY 0.9024
162 6FZ 0.9021
163 2LP 0.9021
164 LDP 0.9020
165 CCB 0.9018
166 TSU 0.9018
167 FBJ 0.9016
168 23W 0.9016
169 DZA 0.9014
170 DMV 0.9010
171 VAH 0.9008
172 AOT 0.9008
173 F4E 0.9006
174 MR1 0.9006
175 TIH 0.9005
176 OAF 0.9003
177 REL 0.9001
178 IT9 0.9000
179 HPV 0.8998
180 YRL 0.8997
181 LNR 0.8997
182 BNF 0.8996
183 SD4 0.8995
184 SIN 0.8992
185 AC6 0.8991
186 URP 0.8991
187 I1E 0.8990
188 PAF 0.8989
189 NLE 0.8987
190 717 0.8987
191 2FY 0.8987
192 PGH 0.8987
193 ONH 0.8986
194 IPB 0.8986
195 GVM 0.8985
196 QY9 0.8984
197 HSO 0.8984
198 MAH 0.8983
199 HBA 0.8983
200 8H8 0.8983
201 GLY ALA 0.8982
202 2IT 0.8982
203 ALA ALA 0.8980
204 KMT 0.8979
205 40E 0.8978
206 A09 0.8977
207 HG3 0.8975
208 GGL 0.8975
209 TH7 0.8973
210 K34 0.8970
211 UYA 0.8968
212 5HY 0.8966
213 PHU 0.8965
214 GCO 0.8964
215 HDL 0.8962
216 Q07 0.8962
217 SYM 0.8957
218 GZ3 0.8956
219 GUA 0.8955
220 ONL 0.8954
221 AG2 0.8954
222 RBJ 0.8954
223 AEF 0.8953
224 7UC 0.8953
225 OTR 0.8953
226 XSP 0.8950
227 PHE 0.8949
228 MCO 0.8946
229 FOM 0.8945
230 APG 0.8942
231 TYL 0.8941
232 DYT 0.8940
233 TZL 0.8939
234 4LR 0.8938
235 URQ 0.8937
236 QMP 0.8935
237 HHH 0.8934
238 3HG 0.8928
239 MEQ 0.8921
240 L99 0.8920
241 MRY 0.8916
242 PEA 0.8916
243 PEL 0.8913
244 2BX 0.8913
245 FK8 0.8912
246 9J3 0.8911
247 ITN 0.8907
248 GBN 0.8904
249 HPS 0.8903
250 4VP 0.8902
251 NSP 0.8900
252 152 0.8899
253 PGA 0.8899
254 LYS 0.8899
255 2FT 0.8897
256 FQI 0.8895
257 HMU 0.8892
258 I38 0.8890
259 ICB 0.8889
260 M4T 0.8889
261 J9N 0.8888
262 AFS 0.8885
263 1L5 0.8884
264 7WG 0.8884
265 OKG 0.8881
266 LTL 0.8878
267 JZ4 0.8877
268 3AL 0.8875
269 IPM 0.8874
270 CCU 0.8874
271 3S5 0.8874
272 4HP 0.8873
273 ZZT 0.8873
274 P22 0.8870
275 DYA 0.8869
276 SME 0.8869
277 8GL 0.8866
278 RUJ 0.8866
279 VKC 0.8865
280 HL4 0.8863
281 HBU 0.8862
282 AT3 0.8862
283 SAF 0.8861
284 AAS 0.8859
285 BHU 0.8858
286 BSX 0.8858
287 CUW 0.8854
288 IZC 0.8853
289 SYC 0.8850
290 TPA 0.8846
291 B3U 0.8845
292 R9S 0.8844
293 9X6 0.8842
294 ZBT 0.8842
295 A7N 0.8841
296 CYX 0.8841
297 9X7 0.8840
298 3YP 0.8839
299 B85 0.8836
300 HFA 0.8836
301 GXY 0.8835
302 ODO 0.8834
303 G2H 0.8834
304 129 0.8832
305 KTA 0.8831
306 PC 0.8831
307 P4B 0.8829
308 4SD 0.8828
309 I4B 0.8828
310 9YL 0.8827
311 GAE 0.8827
312 0VT 0.8827
313 11C 0.8826
314 CIT 0.8826
315 4JL 0.8826
316 7C3 0.8825
317 FBA 0.8822
318 PSE 0.8822
319 MED 0.8820
320 DXG 0.8816
321 DLY 0.8816
322 X1S 0.8814
323 NFA 0.8813
324 PRY 0.8813
325 R2P 0.8812
326 54D 0.8811
327 NLP 0.8807
328 MPJ 0.8807
329 SN4 0.8800
330 4JC 0.8798
331 NYL 0.8798
332 24B 0.8798
333 AEG 0.8797
334 8K2 0.8796
335 ICT 0.8793
336 E4P 0.8792
337 PO6 0.8789
338 KVP 0.8786
339 HDA 0.8786
340 LER 0.8785
341 C2B 0.8780
342 DPN 0.8778
343 RJY 0.8777
344 EOU 0.8776
345 S2P 0.8775
346 CXP 0.8770
347 HIC 0.8768
348 HYP 0.8768
349 3PP 0.8766
350 PG0 0.8764
351 LYN 0.8761
352 GWM 0.8760
353 DHR 0.8759
354 2A9 0.8755
355 268 0.8755
356 4RW 0.8752
357 N6C 0.8750
358 DVQ 0.8750
359 SC2 0.8748
360 DTU 0.8748
361 BHH 0.8747
362 5XA 0.8746
363 HF2 0.8746
364 TCA 0.8743
365 DII 0.8736
366 GLR 0.8733
367 M3H 0.8732
368 M74 0.8724
369 NXA 0.8722
370 40F 0.8721
371 XYH 0.8718
372 GZQ 0.8718
373 49F 0.8714
374 HTX 0.8714
375 B40 0.8713
376 FLC 0.8713
377 DPF 0.8709
378 M44 0.8707
379 ENV 0.8706
380 M45 0.8700
381 OEG 0.8698
382 GLY CYS 0.8697
383 M6W 0.8697
384 GPJ 0.8696
385 GPF 0.8695
386 H95 0.8695
387 Q9Z 0.8692
388 LLQ 0.8691
389 7BC 0.8690
390 MZT 0.8690
391 I2M 0.8682
392 3MF 0.8681
393 AHN 0.8678
394 OPE 0.8678
395 258 0.8673
396 56D 0.8668
397 URO 0.8666
398 5RP 0.8666
399 S24 0.8663
400 0CG 0.8662
401 FBS 0.8658
402 ACA 0.8657
403 K7M 0.8657
404 QUS 0.8656
405 3OM 0.8652
406 SLC 0.8651
407 Z13 0.8650
408 CCD 0.8646
409 NMG 0.8629
410 M5E 0.8620
411 NVA 0.8620
412 6NA 0.8619
413 XXP 0.8614
414 5WZ 0.8613
415 DER 0.8612
416 3PO 0.8612
417 E1P 0.8610
418 1AL 0.8608
419 SSB 0.8607
420 69O 0.8606
421 SHF 0.8599
422 CHH 0.8598
423 H8N 0.8587
424 MHO 0.8584
425 3QM 0.8582
426 MPH 0.8580
427 7A2 0.8573
428 I3E 0.8570
429 KVV 0.8565
430 SHI 0.8563
431 F9Y 0.8558
432 S8V 0.8533
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FUI; Ligand: FOC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1fui.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1FUI; Ligand: FOC; 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: 1fui.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1FUI; Ligand: FOC; 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: 1fui.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1FUI; Ligand: FOC; 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: 1fui.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1FUI; Ligand: FOC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1fui.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1FUI; Ligand: FOC; 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: 1fui.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1FUI; Ligand: FOC; 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: 1fui.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1FUI; Ligand: FOC; 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: 1fui.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1FUI; Ligand: FOC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1fui.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1FUI; Ligand: FOC; 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: 1fui.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1FUI; Ligand: FOC; 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: 1fui.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1FUI; Ligand: FOC; 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: 1fui.bio3) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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