Receptor
PDB id Resolution Class Description Source Keywords
4PCT 2.1 Å EC: 3.2.1.51 CRYSTAL STRUCTURE OF A BACTERIAL FUCOSIDASE WITH IMINOCYCLIT 4R,5S)-3,4-DIHYDROXY-2-ETHYNYL-5-METHYLPYRROLIDINE BACTEROIDES THETAIOTAOMICRON ENZYME INHIBITION HYDROLASE
Ref.: EXPLOITING THE HYDROPHOBIC TERRAIN IN FUCOSIDASES W ARYL-SUBSTITUTED PYRROLIDINE IMINOSUGARS. CHEMBIOCHEM V. 16 277 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
H76 C:503;
D:504;
A:504;
B:503;
 Valid;
Valid;
Invalid;
Valid;
 none;
none;
none;
none;
 submit data
141.168 C7 H11 N O2 C[C@H...
IMD B:502;
D:503;
C:502;
A:503;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
69.085 C3 H5 N2 c1c[n...
SO4 C:501;
B:501;
D:501;
D:502;
A:501;
A:502;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
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
2XIB 2.2 Å EC: 3.2.1.51 CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH D EOXYFUCONOJIRIMYCIN BACTEROIDES THETAIOTAOMICRON FUCOSIDASE HYDROLASE METAL BINDING INHIBITORS
Ref.: STRUCTURAL AND THERMODYNAMIC ANALYSES OF ALPHA-L-FU INHIBITORS. CHEMBIOCHEM V. 11 1971 2010
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PEE - 2OX C13 H16 N4 O2 C[C@H]1[C@....
2 2XII Kd = 63.3 nM TA9 C21 H22 N2 O5 C[C@H]1[C@....
3 2WVS - FUF C6 H11 F O4 C[C@H]1[C@....
4 2WVU - JFZ C12 H15 N O7 C[C@H]1[C@....
5 4J28 Ki = 2 uM EAT C12 H15 N3 O2 C[C@H]1[C@....
6 6HZY Ki = 121 uM GYZ C13 H16 N2 O6 C[C@H]1[C@....
7 4JFT Ki = 3.5 uM 1KN C12 H17 N O3 C[C@H]1[C@....
8 4PCS - 2M7 C13 H15 N O2 C[C@H]1[C@....
9 4JFU - K80 C12 H17 N O2 Cc1ccc(cc1....
10 4JFV Ki = 0.52 uM H57 C18 H26 Fe N2 O2 CC1C(C(C(N....
11 2XIB Kd = 55.1 nM DFU C6 H13 N O3 C[C@H]1[C@....
12 4PCT - H76 C7 H11 N O2 C[C@H]1[C@....
13 4JFS Ki = 5.4 uM 16Z C13 H19 N O3 C[C@H]1[C@....
14 4JFW Ki = 0.46 uM H58 C20 H30 Fe N2 O2 CC1C(C(C(N....
15 2WVT Kd = 755 nM FHN C7 H16 N O5 C([C@H]1[C....
70% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PEE - 2OX C13 H16 N4 O2 C[C@H]1[C@....
2 2XII Kd = 63.3 nM TA9 C21 H22 N2 O5 C[C@H]1[C@....
3 2WVS - FUF C6 H11 F O4 C[C@H]1[C@....
4 2WVU - JFZ C12 H15 N O7 C[C@H]1[C@....
5 4J28 Ki = 2 uM EAT C12 H15 N3 O2 C[C@H]1[C@....
6 6HZY Ki = 121 uM GYZ C13 H16 N2 O6 C[C@H]1[C@....
7 4JFT Ki = 3.5 uM 1KN C12 H17 N O3 C[C@H]1[C@....
8 4PCS - 2M7 C13 H15 N O2 C[C@H]1[C@....
9 4JFU - K80 C12 H17 N O2 Cc1ccc(cc1....
10 4JFV Ki = 0.52 uM H57 C18 H26 Fe N2 O2 CC1C(C(C(N....
11 2XIB Kd = 55.1 nM DFU C6 H13 N O3 C[C@H]1[C@....
12 4PCT - H76 C7 H11 N O2 C[C@H]1[C@....
13 4JFS Ki = 5.4 uM 16Z C13 H19 N O3 C[C@H]1[C@....
14 4JFW Ki = 0.46 uM H58 C20 H30 Fe N2 O2 CC1C(C(C(N....
15 2WVT Kd = 755 nM FHN C7 H16 N O5 C([C@H]1[C....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PEE - 2OX C13 H16 N4 O2 C[C@H]1[C@....
2 2XII Kd = 63.3 nM TA9 C21 H22 N2 O5 C[C@H]1[C@....
3 2WVS - FUF C6 H11 F O4 C[C@H]1[C@....
4 2WVU - JFZ C12 H15 N O7 C[C@H]1[C@....
5 4J28 Ki = 2 uM EAT C12 H15 N3 O2 C[C@H]1[C@....
6 6HZY Ki = 121 uM GYZ C13 H16 N2 O6 C[C@H]1[C@....
7 4JFT Ki = 3.5 uM 1KN C12 H17 N O3 C[C@H]1[C@....
8 4PCS - 2M7 C13 H15 N O2 C[C@H]1[C@....
9 4JFU - K80 C12 H17 N O2 Cc1ccc(cc1....
10 4JFV Ki = 0.52 uM H57 C18 H26 Fe N2 O2 CC1C(C(C(N....
11 2XIB Kd = 55.1 nM DFU C6 H13 N O3 C[C@H]1[C@....
12 4PCT - H76 C7 H11 N O2 C[C@H]1[C@....
13 4JFS Ki = 5.4 uM 16Z C13 H19 N O3 C[C@H]1[C@....
14 4JFW Ki = 0.46 uM H58 C20 H30 Fe N2 O2 CC1C(C(C(N....
15 2WVT Kd = 755 nM FHN C7 H16 N O5 C([C@H]1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: H76; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 H76 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: H76; Similar ligands found: 928
No: Ligand Similarity coefficient
1 AHR 0.9742
2 Z6J 0.9732
3 3XX 0.9545
4 0R0 0.9519
5 JZ3 0.9494
6 GOO 0.9493
7 32O 0.9476
8 NK 0.9472
9 M2H 0.9470
10 R8A 0.9458
11 URA 0.9441
12 RIB 0.9437
13 261 0.9429
14 RIP 0.9426
15 C2A 0.9416
16 GLC 0.9415
17 FYU 0.9409
18 47J 0.9405
19 2DR 0.9381
20 286 0.9379
21 NOJ 0.9376
22 HGQ 0.9374
23 4ZC 0.9370
24 FP1 0.9344
25 KOJ 0.9343
26 CRS 0.9342
27 AZF 0.9337
28 XUL 0.9334
29 ARW 0.9332
30 284 0.9323
31 IFM 0.9323
32 26D 0.9318
33 MSN 0.9316
34 3Z7 0.9314
35 FUF 0.9304
36 TAR 0.9301
37 MNM 0.9293
38 EHM 0.9290
39 9DG 0.9277
40 RSF 0.9269
41 R1X 0.9268
42 XYS 0.9260
43 XYP 0.9257
44 SF9 0.9256
45 6HQ 0.9254
46 LCN 0.9248
47 FUC 0.9241
48 ZZ3 0.9240
49 JZ1 0.9237
50 DFB 0.9236
51 DMJ 0.9235
52 ROR 0.9232
53 YTB 0.9231
54 1DW 0.9226
55 285 0.9221
56 6LW 0.9219
57 GTQ 0.9217
58 RUU 0.9215
59 CIG 0.9214
60 DFU 0.9211
61 XAN 0.9208
62 GUN 0.9208
63 3CH 0.9207
64 HEW 0.9207
65 SAL 0.9205
66 BSX 0.9205
67 R8S 0.9205
68 4H2 0.9202
69 1XX 0.9202
70 JZ4 0.9202
71 2LP 0.9200
72 T6C 0.9196
73 URF 0.9194
74 ASO 0.9192
75 IFL 0.9192
76 M3T 0.9190
77 G2F 0.9188
78 BVF 0.9186
79 EDG 0.9186
80 R2B 0.9184
81 FUL 0.9183
82 G4D 0.9183
83 ARA 0.9182
84 F81 0.9181
85 V55 0.9181
86 RCO 0.9179
87 7MH 0.9178
88 GAB 0.9177
89 B3R 0.9177
90 A1U 0.9175
91 8GF 0.9174
92 BE2 0.9173
93 4XR 0.9172
94 82I 0.9170
95 2XX 0.9168
96 LG5 0.9165
97 BZX 0.9164
98 WBU 0.9159
99 I3A 0.9157
100 LG3 0.9155
101 FRU 0.9155
102 6UA 0.9154
103 SF6 0.9154
104 MZG 0.9154
105 RBL 0.9154
106 53C 0.9153
107 5RG 0.9152
108 DGJ 0.9152
109 S76 0.9150
110 ZZT 0.9150
111 5JC 0.9149
112 ES6 0.9148
113 HHQ 0.9147
114 ARB 0.9143
115 54G 0.9143
116 IDH 0.9140
117 PRY 0.9139
118 P3K 0.9139
119 DUC 0.9138
120 EUG 0.9138
121 QOS 0.9137
122 9TZ 0.9136
123 LXC 0.9133
124 3OC 0.9133
125 ABE 0.9133
126 4ZE 0.9131
127 OVV 0.9131
128 CYT 0.9130
129 24B 0.9130
130 IMR 0.9128
131 23A 0.9127
132 HT4 0.9126
133 OXZ 0.9125
134 MAN 0.9125
135 MWJ 0.9121
136 MZW 0.9119
137 GIF 0.9118
138 MWM 0.9117
139 2AC 0.9116
140 H3M 0.9114
141 2YU 0.9110
142 LDU 0.9110
143 4HM 0.9110
144 4HO 0.9109
145 FPI 0.9109
146 MCT 0.9108
147 5M0 0.9106
148 NOY 0.9105
149 BR9 0.9105
150 27Y 0.9104
151 3U4 0.9104
152 4CL 0.9102
153 8H8 0.9100
154 HBX 0.9099
155 HMH 0.9099
156 3NT 0.9098
157 AH8 0.9098
158 LRH 0.9097
159 FUB 0.9096
160 NMJ 0.9095
161 TM7 0.9095
162 PYG 0.9092
163 HX3 0.9089
164 23W 0.9087
165 4JJ 0.9085
166 278 0.9084
167 1LN 0.9083
168 SYN 0.9082
169 XBZ 0.9081
170 7HQ 0.9080
171 9YL 0.9079
172 1MR 0.9079
173 MZB 0.9078
174 3AB 0.9078
175 XYD 0.9074
176 34A 0.9073
177 40O 0.9072
178 ICP 0.9071
179 PYD 0.9071
180 3SK 0.9071
181 ABN 0.9070
182 2AL 0.9070
183 F0J 0.9070
184 2A7 0.9070
185 282 0.9069
186 5MB 0.9067
187 2MP 0.9065
188 6MH 0.9064
189 2ZX 0.9064
190 GXL 0.9063
191 6AI 0.9063
192 42A 0.9063
193 94B 0.9062
194 3BZ 0.9061
195 JIF 0.9060
196 JKE 0.9060
197 IP0 0.9059
198 JZ2 0.9058
199 Y8I 0.9056
200 5ZE 0.9056
201 WDL 0.9055
202 TBP 0.9054
203 ES9 0.9053
204 AZA 0.9053
205 13X 0.9052
206 HMU 0.9052
207 THE 0.9052
208 5OB 0.9052
209 280 0.9051
210 LZM 0.9051
211 1MC 0.9051
212 1AB 0.9049
213 BEW 0.9049
214 FPK 0.9047
215 CAQ 0.9045
216 HPY 0.9044
217 5AC 0.9042
218 51F 0.9039
219 5MI 0.9038
220 5H1 0.9037
221 BGC 0.9037
222 PSV 0.9036
223 AMC 0.9035
224 275 0.9033
225 RP7 0.9033
226 F05 0.9031
227 VAL 0.9028
228 BZ3 0.9025
229 6X8 0.9024
230 3HB 0.9024
231 AGK 0.9024
232 3AY 0.9023
233 5MK 0.9023
234 XQG 0.9022
235 5MH 0.9020
236 7HP 0.9019
237 PYJ 0.9019
238 2K4 0.9017
239 G3F 0.9017
240 IGA 0.9015
241 AX2 0.9014
242 11S 0.9014
243 ADE 0.9014
244 AZG 0.9012
245 F60 0.9012
246 GAL 0.9011
247 14O 0.9011
248 TLD 0.9011
249 GIV 0.9009
250 ASP 0.9008
251 2TQ 0.9007
252 A2F 0.9006
253 APY 0.9006
254 6AP 0.9004
255 4SV 0.9004
256 PYF 0.9004
257 BDF 0.9003
258 TDR 0.9002
259 Q88 0.9002
260 GYE 0.9001
261 JBE 0.9001
262 8GC 0.9001
263 LFR 0.9000
264 GAF 0.8999
265 VNJ 0.8998
266 35C 0.8997
267 RM1 0.8997
268 938 0.8995
269 WCE 0.8994
270 TH7 0.8992
271 290 0.8991
272 2CM 0.8991
273 H4N 0.8991
274 MR1 0.8990
275 DBH 0.8990
276 UEG 0.8990
277 HTS 0.8987
278 RAM 0.8987
279 BMA 0.8986
280 M1E 0.8986
281 3DM 0.8985
282 HPA 0.8985
283 4CS 0.8984
284 43M 0.8984
285 2MY 0.8983
286 3HA 0.8982
287 DTL 0.8982
288 YH7 0.8981
289 EV0 0.8980
290 NSP 0.8980
291 3CE 0.8979
292 MBD 0.8978
293 6CS 0.8977
294 AFR 0.8977
295 2C9 0.8977
296 HY3 0.8977
297 SJ5 0.8976
298 YHO 0.8976
299 141 0.8976
300 DHB 0.8975
301 R9S 0.8975
302 ERH 0.8974
303 IF7 0.8974
304 HBA 0.8973
305 SX1 0.8972
306 5AN 0.8972
307 DIE 0.8972
308 2CH 0.8968
309 P9P 0.8968
310 7WG 0.8967
311 LDP 0.8966
312 BR8 0.8966
313 CYS 0.8965
314 HSE 0.8965
315 GCS 0.8965
316 4M4 0.8963
317 9EW 0.8963
318 1XM 0.8963
319 DUB 0.8962
320 CFP 0.8961
321 4SD 0.8961
322 FK1 0.8959
323 ORO 0.8958
324 THR 0.8958
325 34V 0.8958
326 ASC 0.8958
327 FLM 0.8957
328 0MK 0.8957
329 GAG 0.8957
330 1WD 0.8957
331 II6 0.8956
332 PXL 0.8956
333 XYL 0.8956
334 RB5 0.8956
335 FFP 0.8955
336 DIG 0.8955
337 TMH 0.8955
338 ECE 0.8955
339 WOO 0.8954
340 9MG 0.8953
341 GMN 0.8953
342 DX4 0.8951
343 5HN 0.8950
344 3FA 0.8949
345 HH5 0.8948
346 TH0 0.8947
347 GLA 0.8945
348 BDR 0.8945
349 12M 0.8943
350 E60 0.8943
351 9TW 0.8943
352 DHK 0.8942
353 ZWZ 0.8941
354 JFJ 0.8941
355 9X7 0.8939
356 MMZ 0.8938
357 SER 0.8938
358 0RW 0.8937
359 6M4 0.8936
360 HCS 0.8936
361 FH2 0.8935
362 BOA 0.8935
363 SHG 0.8934
364 NBE 0.8934
365 6MP 0.8934
366 BCP 0.8934
367 6M9 0.8932
368 TCZ 0.8932
369 3MC 0.8932
370 6PC 0.8932
371 4HC 0.8929
372 OHG 0.8929
373 JAE 0.8928
374 5UC 0.8926
375 9HX 0.8924
376 PY7 0.8924
377 LGC 0.8923
378 GLF 0.8923
379 FDK 0.8923
380 TZE 0.8922
381 3M0 0.8921
382 CXF 0.8921
383 AS3 0.8920
384 OXQ 0.8920
385 AUD 0.8920
386 93Q 0.8920
387 T9G 0.8919
388 BTE 0.8918
389 OAA 0.8918
390 4JO 0.8917
391 MB3 0.8916
392 3F0 0.8916
393 NEQ 0.8912
394 B24 0.8911
395 8NY 0.8910
396 7N0 0.8910
397 Q6T 0.8909
398 7VS 0.8907
399 9DA 0.8907
400 5XC 0.8907
401 JZ0 0.8906
402 M0Q 0.8906
403 HXX 0.8906
404 OVM 0.8905
405 5NU 0.8905
406 SR1 0.8904
407 7VJ 0.8903
408 PEA 0.8903
409 SRT 0.8902
410 KSW 0.8902
411 MMA 0.8902
412 6GU 0.8901
413 0CU 0.8901
414 LMR 0.8900
415 PM6 0.8899
416 94N 0.8897
417 BAE 0.8897
418 INO 0.8895
419 271 0.8892
420 ICO 0.8892
421 FE DB1 0.8892
422 X6X 0.8891
423 XLS 0.8890
424 MRY 0.8890
425 RSO 0.8890
426 2H5 0.8889
427 5RN 0.8889
428 HY1 0.8888
429 BP1 0.8888
430 MYJ 0.8886
431 PA1 0.8885
432 5CU 0.8885
433 HYP 0.8884
434 KYD 0.8884
435 SOE 0.8882
436 8S0 0.8881
437 42C 0.8881
438 3MG 0.8881
439 3DO 0.8880
440 URC 0.8880
441 ISD 0.8879
442 URQ 0.8879
443 OMD 0.8877
444 SWD 0.8876
445 4XX 0.8876
446 GLY PRO 0.8876
447 BDP 0.8875
448 4JU 0.8874
449 2MH 0.8874
450 PZA 0.8873
451 DOR 0.8873
452 BRT 0.8873
453 7WV 0.8872
454 ES4 0.8872
455 9CL 0.8871
456 4XV 0.8871
457 MBG 0.8869
458 L89 0.8869
459 LER 0.8868
460 MLT 0.8868
461 60P 0.8867
462 3ZQ 0.8865
463 FA0 0.8865
464 TFU 0.8865
465 1P7 0.8865
466 YAN 0.8864
467 8LG 0.8864
468 4NC 0.8863
469 1PT 0.8863
470 D1X 0.8862
471 KBB 0.8862
472 DZX 0.8862
473 3MB 0.8861
474 OW4 0.8861
475 NNO 0.8860
476 10L 0.8860
477 5WX 0.8860
478 2FG 0.8859
479 76X 0.8859
480 TM4 0.8858
481 GBD 0.8857
482 OXE 0.8857
483 TMZ 0.8857
484 BEZ 0.8857
485 4VP 0.8857
486 KP6 0.8856
487 92Z 0.8856
488 JFD 0.8855
489 PBE 0.8854
490 F9Y 0.8852
491 YIO 0.8852
492 XXR 0.8852
493 3MH 0.8851
494 1AN 0.8850
495 IPZ 0.8850
496 TLA 0.8849
497 FAN 0.8848
498 ICF 0.8847
499 KIB 0.8847
500 BEN 0.8845
501 J9W 0.8845
502 MFB 0.8845
503 2AF 0.8845
504 F4Z 0.8843
505 948 0.8842
506 DOB 0.8842
507 PEL 0.8841
508 NCA 0.8841
509 FCB 0.8841
510 G5V 0.8840
511 FP2 0.8840
512 RNS 0.8840
513 2KT 0.8840
514 UNU 0.8839
515 PCA 0.8838
516 NIO 0.8838
517 OXC 0.8837
518 14J 0.8837
519 KJY 0.8837
520 IHB 0.8836
521 XBT 0.8835
522 BAM 0.8834
523 2HO 0.8834
524 93K 0.8834
525 95Z 0.8833
526 ZBT 0.8832
527 VNL 0.8832
528 25W 0.8831
529 DHS 0.8830
530 ALO 0.8830
531 ILE 0.8829
532 N7P 0.8829
533 5B1 0.8827
534 QSB 0.8827
535 IPH 0.8827
536 SHA 0.8826
537 B53 0.8826
538 ALL 0.8825
539 CYH 0.8824
540 4RW 0.8823
541 MFU 0.8823
542 SEJ 0.8823
543 CHB 0.8823
544 GDE 0.8823
545 NBZ 0.8822
546 3PY 0.8820
547 SVN 0.8820
548 DPF 0.8820
549 7CZ 0.8820
550 SWA 0.8819
551 1GN 0.8819
552 TZZ 0.8818
553 SFU 0.8818
554 COU 0.8817
555 CIZ 0.8816
556 CRN 0.8816
557 UY7 0.8816
558 PBC 0.8815
559 CEJ 0.8814
560 7W4 0.8814
561 AZ8 0.8812
562 PKU 0.8811
563 AKG 0.8810
564 BP9 0.8810
565 IUR 0.8809
566 RM4 0.8807
567 PRZ 0.8806
568 JBK 0.8806
569 1XN 0.8805
570 ITN 0.8805
571 LEU 0.8805
572 2MI 0.8804
573 DTU 0.8804
574 64K 0.8803
575 717 0.8802
576 AW5 0.8802
577 XCZ 0.8802
578 1P3 0.8802
579 34D 0.8801
580 OHP 0.8800
581 8EZ 0.8800
582 CWM 0.8800
583 FHN 0.8799
584 GRE 0.8799
585 4A3 0.8798
586 PAF 0.8797
587 OVP 0.8797
588 7B4 0.8796
589 MO8 0.8796
590 SC2 0.8794
591 TMT 0.8793
592 H8N 0.8793
593 JB5 0.8792
594 JZ7 0.8792
595 HSM 0.8792
596 ORN 0.8791
597 24T 0.8791
598 ES0 0.8790
599 IOM 0.8790
600 AKH 0.8790
601 7WA 0.8789
602 4CH 0.8789
603 QSH 0.8789
604 2AS 0.8788
605 SKM 0.8786
606 PRI 0.8785
607 45C 0.8784
608 UGC 0.8783
609 M1H 0.8782
610 4M0 0.8782
611 PZI 0.8782
612 HHA 0.8782
613 149 0.8782
614 XRG 0.8782
615 EXO 0.8782
616 PE0 0.8782
617 LYL 0.8781
618 KIA 0.8781
619 2EC 0.8780
620 PXM 0.8780
621 ADK 0.8780
622 AX7 0.8779
623 270 0.8779
624 IJZ 0.8778
625 IDM 0.8778
626 B2J 0.8777
627 A2Q 0.8776
628 8TX 0.8775
629 CXL 0.8774
630 VGL 0.8774
631 69O 0.8774
632 6JN 0.8773
633 GLU 0.8773
634 KG7 0.8772
635 CEE 0.8770
636 6F0 0.8770
637 PTO 0.8770
638 FHB 0.8770
639 3MA 0.8770
640 B55 0.8769
641 ES5 0.8768
642 OCH 0.8767
643 4AA 0.8767
644 O7U 0.8765
645 03V 0.8765
646 3HM 0.8764
647 HHN 0.8764
648 DBJ 0.8764
649 NVI 0.8764
650 NVA 0.8764
651 FOT 0.8763
652 4FS 0.8763
653 P92 0.8762
654 4NG 0.8762
655 2AQ 0.8761
656 CP 0.8761
657 FDB 0.8760
658 PEP 0.8760
659 3AL 0.8759
660 3RK 0.8759
661 GCB 0.8758
662 DMV 0.8758
663 PDC 0.8757
664 0TR 0.8755
665 98J 0.8754
666 FPY 0.8754
667 KBG 0.8754
668 GIO 0.8754
669 IPB 0.8753
670 MEW 0.8752
671 C2U 0.8752
672 ASN 0.8748
673 KJU 0.8747
674 ZXD 0.8747
675 4DX 0.8747
676 Q24 0.8747
677 4XS 0.8746
678 150 0.8746
679 FB1 0.8746
680 HAI 0.8745
681 MET 0.8745
682 KIV 0.8745
683 329 0.8745
684 VAH 0.8743
685 XX2 0.8743
686 H42 0.8743
687 M6N 0.8742
688 2BG 0.8741
689 B57 0.8740
690 260 0.8739
691 DBX 0.8738
692 2CQ 0.8737
693 FLA 0.8737
694 G6D 0.8737
695 NTN 0.8737
696 JLZ 0.8735
697 M5K 0.8734
698 F31 0.8734
699 TC7 0.8732
700 BTY 0.8732
701 M1Q 0.8731
702 BML 0.8729
703 0CT 0.8726
704 SS2 0.8726
705 BNS 0.8725
706 ADZ 0.8725
707 AJ2 0.8725
708 E7Z 0.8724
709 CSS 0.8724
710 AQO 0.8723
711 YSO 0.8723
712 J9T 0.8722
713 5HY 0.8722
714 DEN 0.8721
715 GXE 0.8721
716 MEV 0.8720
717 75K 0.8719
718 4PW 0.8718
719 MAK 0.8718
720 ABV 0.8718
721 HIO 0.8717
722 5JL 0.8717
723 UNC 0.8716
724 P4B 0.8716
725 ISZ 0.8716
726 DAS 0.8715
727 5JQ 0.8715
728 YCP 0.8714
729 6M1 0.8713
730 HGW 0.8710
731 TEO 0.8710
732 FCA 0.8710
733 DIU 0.8709
734 EYK 0.8709
735 TTO 0.8708
736 8CL 0.8707
737 0W8 0.8707
738 HSL 0.8706
739 1LQ 0.8706
740 ENL 0.8704
741 LGA 0.8704
742 HYN 0.8703
743 4JL 0.8703
744 BHA 0.8703
745 MRZ 0.8703
746 MLA 0.8703
747 1DU 0.8702
748 MBN 0.8701
749 3AP 0.8700
750 51R 0.8700
751 CMS 0.8700
752 XQ0 0.8698
753 NIZ 0.8698
754 4JT 0.8697
755 4AX 0.8696
756 8IG 0.8693
757 FQI 0.8693
758 KKN 0.8692
759 PIH 0.8691
760 MD0 0.8690
761 AMG 0.8690
762 ZB1 0.8690
763 TNE 0.8688
764 CNL 0.8688
765 AC0 0.8688
766 HJP 0.8687
767 CN0 0.8687
768 NCM 0.8686
769 ABA 0.8685
770 HVK 0.8685
771 QSC 0.8685
772 PHB 0.8684
773 NLE 0.8684
774 BZI 0.8682
775 NXA 0.8681
776 1F1 0.8680
777 45L 0.8680
778 3R6 0.8680
779 CGB 0.8680
780 2D0 0.8680
781 7NI 0.8680
782 2AP 0.8680
783 IND 0.8680
784 QWN 0.8679
785 VGD 0.8679
786 LNO 0.8679
787 JZ9 0.8679
788 1WG 0.8677
789 ISN 0.8677
790 2IM 0.8677
791 GZL 0.8676
792 FBA 0.8676
793 GVH 0.8676
794 BZF 0.8675
795 4AP 0.8675
796 JYD 0.8674
797 0HN 0.8673
798 3IT 0.8672
799 WOT 0.8671
800 5WV 0.8670
801 0R1 0.8670
802 MLE 0.8670
803 25T 0.8670
804 CFI 0.8670
805 NPO 0.8669
806 ICC 0.8669
807 SNE 0.8668
808 ET2 0.8665
809 KPL 0.8665
810 MZ0 0.8663
811 4ME 0.8663
812 K5W 0.8661
813 TIU 0.8661
814 UAN 0.8660
815 MPI 0.8660
816 LZ1 0.8660
817 DTT 0.8660
818 4JP 0.8659
819 93B 0.8659
820 AHB 0.8657
821 5VM 0.8656
822 SS1 0.8655
823 HIU 0.8655
824 LKA 0.8654
825 4JM 0.8654
826 MUC 0.8654
827 42J 0.8652
828 1P8 0.8652
829 PAV 0.8652
830 JPZ 0.8652
831 N5J 0.8651
832 PCR 0.8651
833 03W 0.8651
834 DTI 0.8650
835 PEZ 0.8649
836 HQ9 0.8649
837 FBV 0.8644
838 OEM 0.8644
839 V1L 0.8644
840 9J3 0.8643
841 HRZ 0.8642
842 HDA 0.8641
843 LG4 0.8640
844 HVQ 0.8640
845 EVA 0.8639
846 BHO 0.8638
847 36R 0.8638
848 7MU 0.8637
849 CLW 0.8637
850 HQY 0.8637
851 VOH 0.8636
852 4Z4 0.8634
853 SVJ 0.8634
854 HQE 0.8633
855 1DV 0.8633
856 GBN 0.8627
857 PLQ 0.8626
858 DA1 0.8625
859 ADA 0.8624
860 M1A 0.8622
861 GTL 0.8622
862 25R 0.8621
863 4P0 0.8621
864 5SG 0.8618
865 ES1 0.8615
866 DMD 0.8615
867 40E 0.8615
868 FPN 0.8614
869 FBW 0.8614
870 5Q0 0.8614
871 M2K 0.8614
872 5IQ 0.8613
873 TSS 0.8613
874 4P5 0.8611
875 XIX 0.8610
876 9TY 0.8610
877 1DJ 0.8608
878 DGY 0.8607
879 9PO 0.8607
880 DXX 0.8607
881 2FY 0.8606
882 L3Q 0.8606
883 2ZV 0.8601
884 2ZM 0.8601
885 3A9 0.8600
886 1NP 0.8600
887 CHT 0.8599
888 EA1 0.8598
889 DBB 0.8598
890 4HS 0.8597
891 PXY 0.8597
892 4XH 0.8596
893 3BU 0.8594
894 SMB 0.8593
895 C2B 0.8593
896 39J 0.8588
897 069 0.8587
898 ES2 0.8587
899 8EW 0.8586
900 XAZ 0.8586
901 3ID 0.8585
902 2CK 0.8584
903 M58 0.8583
904 4YS 0.8582
905 SYV 0.8581
906 DMI 0.8580
907 DRL 0.8580
908 8WT 0.8578
909 67N 0.8576
910 1M2 0.8572
911 FA1 0.8571
912 PAE 0.8571
913 L60 0.8569
914 PRO 0.8568
915 1SQ 0.8564
916 FEH 0.8563
917 QY9 0.8563
918 AOS 0.8563
919 IHG 0.8560
920 MXN 0.8558
921 C5J 0.8556
922 GT0 0.8554
923 MAE 0.8549
924 FGZ 0.8546
925 I1E 0.8544
926 BVG 0.8534
927 M6W 0.8513
928 EKZ 0.8505
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XIB; Ligand: DFU; 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: 2xib.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2XIB; Ligand: DFU; 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: 2xib.bio4) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2XIB; Ligand: DFU; 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: 2xib.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2XIB; Ligand: DFU; 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: 2xib.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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