Receptor
PDB id Resolution Class Description Source Keywords
3WKX 2 Å EC: 3.2.1.185 CRYSTAL STRUCTURE OF GH127 BETA-L-ARABINOFURANOSIDASE HYPBA1 BIFIDOBACTERIUM LONGUM ARABINOSE COMPLEX FORM BIFIDOBACTERIUM LONGUM (ALPHA/ALPHA)6 BARREL HYDROLASE INTRACELLULAR
Ref.: CRYSTAL STRUCTURE OF GLYCOSIDE HYDROLASE FAMILY 127 BETA-L-ARABINOFURANOSIDASE FROM BIFIDOBACTERIUM LON BIOCHEM.BIOPHYS.RES.COMMUN. 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FUB A:701;
Valid;
none;
submit data
150.13 C5 H10 O5 C([C@...
ZN A:702;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WKX 2 Å EC: 3.2.1.185 CRYSTAL STRUCTURE OF GH127 BETA-L-ARABINOFURANOSIDASE HYPBA1 BIFIDOBACTERIUM LONGUM ARABINOSE COMPLEX FORM BIFIDOBACTERIUM LONGUM (ALPHA/ALPHA)6 BARREL HYDROLASE INTRACELLULAR
Ref.: CRYSTAL STRUCTURE OF GLYCOSIDE HYDROLASE FAMILY 127 BETA-L-ARABINOFURANOSIDASE FROM BIFIDOBACTERIUM LON BIOCHEM.BIOPHYS.RES.COMMUN. 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3WKX - FUB C5 H10 O5 C([C@H]1[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 3WKX - FUB C5 H10 O5 C([C@H]1[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 3WKX - FUB C5 H10 O5 C([C@H]1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FUB; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 Z6J 1 1
2 RIB 1 1
3 AHR 1 1
4 32O 1 1
5 BDR 1 1
6 FUB 1 1
7 BMA 0.653846 0.866667
8 MAN 0.653846 0.866667
9 WOO 0.653846 0.866667
10 GAL 0.653846 0.866667
11 GIV 0.653846 0.866667
12 BGC 0.653846 0.866667
13 BGC GAL 0.653846 0.866667
14 GLC 0.653846 0.866667
15 GLC GLC 0.653846 0.866667
16 GLA 0.653846 0.866667
17 GXL 0.653846 0.866667
18 ALL 0.653846 0.866667
19 GAL GAL 0.653846 0.866667
20 AHR AHR 0.486486 0.875
21 G2F 0.483871 0.764706
22 2FG 0.483871 0.764706
23 PA1 0.483871 0.684211
24 SHG 0.483871 0.764706
25 2H5 0.483871 0.764706
26 GAF 0.483871 0.764706
27 X6X 0.483871 0.684211
28 95Z 0.483871 0.684211
29 GCS 0.483871 0.684211
30 G3F 0.483871 0.764706
31 1GN 0.483871 0.684211
32 3MG 0.46875 0.764706
33 ZB1 0.46875 0.764706
34 SR1 0.466667 0.764706
35 2GS 0.454545 0.764706
36 AHR AHR AHR AHR 0.45 0.875
37 AHR AHR AHR AHR AHR AHR 0.45 0.875
38 AHR AHR AHR AHR AHR 0.45 0.875
39 AHR FUB 0.444444 0.875
40 HSX 0.441176 0.675
41 ABF 0.441176 0.675
42 RP5 0.441176 0.675
43 YIO 0.419355 0.757576
44 GLF 0.40625 0.735294
45 ALX 0.405405 0.619048
46 BNX 0.405405 0.619048
47 GAL GLA 0.404762 0.742857
48 MAN BMA BMA BMA BMA BMA BMA 0.4 0.742857
49 ASO 0.4 0.757576
50 GLC GLC GLC GLC BGC GLC GLC 0.4 0.742857
51 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.742857
52 BGC BGC 0.4 0.757576
Similar Ligands (3D)
Ligand no: 1; Ligand: FUB; Similar ligands found: 681
No: Ligand Similarity coefficient
1 6LW 0.9673
2 ARA 0.9648
3 XYS 0.9645
4 ARB 0.9626
5 EDG 0.9606
6 JZ3 0.9580
7 R8A 0.9530
8 NK 0.9496
9 WBU 0.9455
10 URF 0.9454
11 0R0 0.9441
12 1LN 0.9441
13 G4D 0.9421
14 FP1 0.9406
15 1XX 0.9403
16 DFB 0.9399
17 T6C 0.9384
18 51F 0.9373
19 ASP 0.9367
20 286 0.9360
21 3XX 0.9355
22 XYP 0.9345
23 DIG 0.9344
24 7MH 0.9343
25 NEQ 0.9337
26 HBA 0.9335
27 1AB 0.9331
28 261 0.9331
29 RP7 0.9330
30 4PW 0.9329
31 JZ1 0.9324
32 GIF 0.9319
33 BE2 0.9316
34 FUL 0.9304
35 JZ4 0.9303
36 DFU 0.9302
37 FPI 0.9302
38 PRY 0.9301
39 IF7 0.9296
40 SAL 0.9296
41 AGK 0.9291
42 LCN 0.9290
43 FYU 0.9288
44 RIP 0.9284
45 NOJ 0.9283
46 4CH 0.9278
47 BSX 0.9272
48 HHA 0.9263
49 SYN 0.9263
50 CAM 0.9262
51 0MK 0.9260
52 RSF 0.9257
53 EXO 0.9250
54 948 0.9247
55 KOJ 0.9242
56 64K 0.9236
57 69O 0.9236
58 IFL 0.9234
59 MFU 0.9231
60 R2B 0.9231
61 ARW 0.9230
62 LER 0.9228
63 GUN 0.9228
64 XXR 0.9226
65 4VP 0.9220
66 2XX 0.9219
67 GAG 0.9218
68 URA 0.9217
69 LRH 0.9216
70 GOO 0.9214
71 8EZ 0.9211
72 RAM 0.9210
73 9X7 0.9210
74 LDU 0.9203
75 ES6 0.9201
76 HBX 0.9197
77 FUC 0.9195
78 BEW 0.9194
79 KYD 0.9191
80 ABE 0.9188
81 8H8 0.9188
82 MFB 0.9187
83 278 0.9185
84 1MR 0.9185
85 XLS 0.9184
86 TZE 0.9182
87 GYE 0.9181
88 4JL 0.9180
89 26D 0.9180
90 JKE 0.9179
91 9DG 0.9177
92 DGJ 0.9177
93 FUF 0.9176
94 1PT 0.9176
95 BML 0.9175
96 CAQ 0.9172
97 TLA 0.9172
98 DMJ 0.9172
99 IP0 0.9171
100 2LP 0.9165
101 PYG 0.9165
102 PBE 0.9164
103 ABN 0.9163
104 BTE 0.9161
105 IFM 0.9155
106 PYJ 0.9155
107 CAH 0.9153
108 3U4 0.9153
109 FPK 0.9153
110 XAN 0.9151
111 40O 0.9149
112 FBA 0.9147
113 RUU 0.9146
114 L3Q 0.9144
115 5AC 0.9143
116 XUL 0.9142
117 PAF 0.9141
118 B53 0.9140
119 3RK 0.9137
120 PAV 0.9135
121 AZF 0.9134
122 LGC 0.9134
123 280 0.9133
124 DUC 0.9133
125 TBP 0.9133
126 APY 0.9132
127 3DM 0.9132
128 DAS 0.9127
129 PSV 0.9127
130 149 0.9124
131 KP6 0.9123
132 AMC 0.9122
133 HPA 0.9121
134 YTB 0.9120
135 KBG 0.9119
136 LMR 0.9116
137 VNJ 0.9114
138 2MH 0.9113
139 4JU 0.9113
140 TMH 0.9110
141 OXZ 0.9109
142 3Z7 0.9109
143 ROR 0.9108
144 HZP 0.9107
145 34V 0.9106
146 9TY 0.9106
147 OAA 0.9105
148 1WD 0.9103
149 JYD 0.9101
150 PCA 0.9100
151 AH8 0.9099
152 H76 0.9096
153 TCM 0.9093
154 R9S 0.9092
155 LXC 0.9092
156 DTL 0.9090
157 260 0.9089
158 ADE 0.9086
159 CRS 0.9086
160 CNL 0.9086
161 BZX 0.9085
162 FLA 0.9084
163 HSE 0.9084
164 CRN 0.9083
165 ZZT 0.9082
166 NBE 0.9081
167 2DR 0.9081
168 282 0.9079
169 HPY 0.9078
170 DBH 0.9078
171 NSP 0.9076
172 SEJ 0.9076
173 6KX 0.9075
174 3DY 0.9072
175 MZW 0.9072
176 AC5 0.9072
177 7N0 0.9070
178 3HA 0.9065
179 6UA 0.9065
180 3SK 0.9062
181 BEZ 0.9060
182 R1X 0.9060
183 IDH 0.9058
184 IPH 0.9057
185 SF6 0.9056
186 3M0 0.9056
187 94B 0.9054
188 HMH 0.9053
189 PZA 0.9052
190 6PC 0.9051
191 BEN 0.9048
192 KPL 0.9048
193 FPY 0.9048
194 BDF 0.9048
195 HMU 0.9047
196 6HQ 0.9046
197 AFR 0.9046
198 URQ 0.9046
199 MSN 0.9044
200 RHU 0.9044
201 NIO 0.9044
202 B24 0.9043
203 THR 0.9043
204 FCA 0.9040
205 IMR 0.9039
206 OHG 0.9038
207 IDM 0.9036
208 LFR 0.9035
209 OXQ 0.9035
210 ECE 0.9034
211 24B 0.9031
212 SOE 0.9031
213 NCA 0.9030
214 HY3 0.9025
215 4XX 0.9025
216 COI 0.9023
217 BAM 0.9023
218 3F0 0.9021
219 TH7 0.9021
220 MRZ 0.9021
221 3OC 0.9020
222 F05 0.9018
223 JIF 0.9017
224 1MC 0.9014
225 GLL 0.9012
226 YHO 0.9011
227 7HP 0.9011
228 PRO 0.9010
229 HH5 0.9010
230 MNM 0.9009
231 6F0 0.9007
232 MMZ 0.9005
233 KIV 0.9004
234 PTO 0.9004
235 23B 0.9003
236 23W 0.9002
237 F81 0.9002
238 4HO 0.9001
239 H3M 0.9000
240 JZ9 0.8998
241 MMA 0.8998
242 MRY 0.8997
243 PY7 0.8997
244 LYL 0.8996
245 6M4 0.8995
246 ICC 0.8994
247 UGC 0.8993
248 4XR 0.8990
249 C2B 0.8990
250 PRZ 0.8989
251 3MC 0.8987
252 2KT 0.8987
253 WTZ 0.8986
254 GRE 0.8986
255 AUD 0.8986
256 4SV 0.8985
257 3DO 0.8982
258 AKB 0.8981
259 MCT 0.8980
260 GBD 0.8979
261 9CL 0.8978
262 SRT 0.8975
263 EHM 0.8975
264 5DI 0.8972
265 VAH 0.8971
266 ASN 0.8971
267 DSN 0.8968
268 TDR 0.8968
269 QFH 0.8967
270 284 0.8966
271 TAR 0.8965
272 192 0.8961
273 MLT 0.8959
274 XYL 0.8957
275 RB0 0.8957
276 RB5 0.8957
277 GTQ 0.8956
278 23A 0.8956
279 TNE 0.8954
280 IOM 0.8953
281 NCM 0.8953
282 VAL 0.8952
283 60P 0.8952
284 ILE 0.8951
285 MAK 0.8951
286 A3B 0.8951
287 5NU 0.8950
288 54G 0.8950
289 YCP 0.8948
290 12M 0.8948
291 ASC 0.8947
292 NOY 0.8946
293 5CU 0.8943
294 OEM 0.8942
295 PZI 0.8941
296 ALO 0.8941
297 GIO 0.8941
298 BR9 0.8941
299 KSW 0.8938
300 4DX 0.8937
301 MB3 0.8936
302 TMZ 0.8935
303 DHS 0.8935
304 5RG 0.8934
305 RNS 0.8934
306 FFP 0.8934
307 DMV 0.8933
308 4JJ 0.8932
309 3ZQ 0.8931
310 A1U 0.8930
311 ICP 0.8929
312 PYD 0.8929
313 1P3 0.8929
314 JZ7 0.8928
315 FA0 0.8927
316 KG7 0.8926
317 3FA 0.8926
318 8S0 0.8925
319 DOB 0.8925
320 I3A 0.8923
321 27Y 0.8923
322 3MH 0.8923
323 3V4 0.8921
324 O7U 0.8921
325 RSO 0.8921
326 G6D 0.8920
327 SS2 0.8920
328 2AC 0.8920
329 MWM 0.8918
330 HY1 0.8918
331 285 0.8915
332 RBL 0.8915
333 5UC 0.8913
334 SNE 0.8913
335 TFB 0.8913
336 4FA 0.8913
337 7VJ 0.8912
338 MZG 0.8911
339 7HQ 0.8911
340 6M1 0.8910
341 4ZE 0.8910
342 QOS 0.8908
343 XYD 0.8906
344 MBD 0.8906
345 GMN 0.8906
346 PEL 0.8905
347 NVA 0.8904
348 FLM 0.8903
349 BDP 0.8903
350 4CL 0.8901
351 MZB 0.8900
352 2MP 0.8900
353 SER 0.8899
354 LG4 0.8897
355 34A 0.8896
356 4NC 0.8894
357 TH0 0.8894
358 JFD 0.8894
359 93Q 0.8892
360 XBZ 0.8892
361 QSC 0.8892
362 FDK 0.8891
363 DAB 0.8891
364 IT9 0.8890
365 THE 0.8889
366 B0D 0.8888
367 TMT 0.8887
368 CXF 0.8886
369 FCB 0.8885
370 271 0.8885
371 SPV 0.8884
372 2C9 0.8884
373 FB1 0.8883
374 MWJ 0.8883
375 C2N 0.8883
376 7WV 0.8883
377 9HX 0.8883
378 UYA 0.8883
379 C2A 0.8881
380 A2Q 0.8881
381 JZ5 0.8880
382 9MG 0.8879
383 JZ0 0.8878
384 92Z 0.8877
385 5MH 0.8876
386 L89 0.8876
387 JZ2 0.8876
388 DXX 0.8876
389 IQ0 0.8874
390 ADA 0.8874
391 ITN 0.8873
392 CYH 0.8873
393 AMG 0.8872
394 DIE 0.8871
395 2RA 0.8870
396 IPZ 0.8870
397 M58 0.8869
398 2IM 0.8869
399 SS1 0.8866
400 BHA 0.8866
401 SHA 0.8865
402 9DA 0.8865
403 ZWZ 0.8865
404 SF9 0.8864
405 P3K 0.8863
406 HYP 0.8863
407 1AN 0.8861
408 HCS 0.8860
409 2MY 0.8859
410 CIZ 0.8858
411 2YU 0.8858
412 GLU 0.8857
413 8LG 0.8856
414 MEV 0.8855
415 5M0 0.8855
416 QDK 0.8855
417 9YL 0.8855
418 CMS 0.8854
419 NTN 0.8853
420 7A8 0.8853
421 GG6 0.8853
422 PEA 0.8852
423 I2M 0.8849
424 FRU 0.8849
425 ODV 0.8848
426 3PY 0.8846
427 TM4 0.8844
428 HIO 0.8844
429 3SY 0.8844
430 938 0.8843
431 PCR 0.8843
432 FH2 0.8842
433 YRL 0.8842
434 3CE 0.8842
435 2PG 0.8841
436 HAI 0.8840
437 HQE 0.8838
438 DCY 0.8837
439 DOR 0.8837
440 47J 0.8835
441 2AS 0.8835
442 XM0 0.8835
443 DGY 0.8834
444 RM4 0.8834
445 HUI 0.8834
446 HIU 0.8833
447 35C 0.8833
448 25R 0.8832
449 2AF 0.8832
450 SVJ 0.8832
451 76X 0.8831
452 0TR 0.8831
453 MZ0 0.8831
454 2MN 0.8830
455 6MH 0.8830
456 DTU 0.8829
457 CXL 0.8828
458 6MP 0.8828
459 GLN 0.8825
460 43M 0.8825
461 CEE 0.8823
462 BP9 0.8822
463 FBV 0.8822
464 2CM 0.8820
465 PXY 0.8820
466 4CS 0.8819
467 4HS 0.8818
468 4RW 0.8818
469 5JC 0.8817
470 UY7 0.8816
471 OAF 0.8816
472 DCD 0.8816
473 4JO 0.8813
474 HTS 0.8810
475 JBE 0.8809
476 25W 0.8809
477 PRI 0.8807
478 9TZ 0.8806
479 ES4 0.8806
480 1DU 0.8805
481 2CH 0.8803
482 2PC 0.8803
483 TM7 0.8803
484 N7P 0.8802
485 40E 0.8799
486 10L 0.8798
487 93B 0.8797
488 BNS 0.8794
489 TEO 0.8794
490 7WA 0.8794
491 SWD 0.8792
492 2ZV 0.8790
493 1AC 0.8790
494 ICF 0.8790
495 4M0 0.8789
496 LDP 0.8787
497 PM6 0.8784
498 BP1 0.8784
499 DUB 0.8783
500 5WX 0.8782
501 SJ5 0.8782
502 NMJ 0.8781
503 CDV 0.8780
504 FAC 0.8780
505 HVQ 0.8780
506 URP 0.8779
507 PLQ 0.8778
508 275 0.8778
509 IUR 0.8776
510 4NG 0.8775
511 HSM 0.8774
512 OHP 0.8770
513 HT4 0.8770
514 7D2 0.8769
515 LEU 0.8769
516 RM1 0.8768
517 2TQ 0.8768
518 4AX 0.8767
519 BVG 0.8767
520 VGL 0.8767
521 H62 0.8766
522 DZX 0.8763
523 AZA 0.8763
524 PEP 0.8761
525 4JN 0.8761
526 CYS 0.8760
527 IT2 0.8759
528 FP2 0.8758
529 SYG 0.8758
530 CGB 0.8758
531 DA1 0.8756
532 FPN 0.8756
533 T2C 0.8756
534 PYF 0.8755
535 BVC 0.8752
536 PAE 0.8750
537 JFJ 0.8748
538 2CL 0.8746
539 INS 0.8746
540 GLT 0.8745
541 SMB 0.8743
542 9EW 0.8741
543 M1A 0.8739
544 273 0.8738
545 5MK 0.8738
546 I1N 0.8737
547 ISD 0.8737
548 Y8I 0.8734
549 N8P 0.8732
550 39J 0.8731
551 6X8 0.8729
552 94N 0.8729
553 ZXD 0.8729
554 SVN 0.8727
555 CYT 0.8726
556 PAC 0.8725
557 RBJ 0.8723
558 RCO 0.8721
559 JBN 0.8719
560 2EZ 0.8719
561 ICN 0.8717
562 ISZ 0.8717
563 OXE 0.8716
564 LG5 0.8712
565 BFM 0.8712
566 DPR 0.8711
567 SC2 0.8709
568 BAE 0.8708
569 IPB 0.8705
570 4JM 0.8702
571 8EW 0.8701
572 HLR 0.8701
573 AEF 0.8698
574 GVH 0.8697
575 0RW 0.8695
576 13P 0.8694
577 EQT 0.8691
578 DEN 0.8691
579 GZL 0.8690
580 6AP 0.8690
581 JBK 0.8689
582 3AY 0.8689
583 0R1 0.8688
584 FBT 0.8688
585 FSG 0.8687
586 ORN 0.8686
587 UEG 0.8685
588 MAE 0.8685
589 LG3 0.8684
590 BZF 0.8684
591 AX2 0.8682
592 MLI 0.8682
593 CSS 0.8680
594 WDL 0.8678
595 LZ1 0.8675
596 A65 0.8674
597 GCB 0.8673
598 3MA 0.8670
599 98J 0.8669
600 DX4 0.8668
601 GTR 0.8668
602 1XM 0.8667
603 PRS 0.8667
604 IND 0.8665
605 MPI 0.8665
606 SKG 0.8665
607 BZI 0.8664
608 A2F 0.8663
609 T9G 0.8663
610 AC0 0.8658
611 7CZ 0.8658
612 BVF 0.8657
613 67N 0.8654
614 0CT 0.8652
615 HRZ 0.8650
616 FA1 0.8649
617 3CH 0.8648
618 8GF 0.8648
619 6JN 0.8648
620 L60 0.8648
621 IPM 0.8647
622 MLA 0.8646
623 DTT 0.8644
624 13X 0.8643
625 MET 0.8643
626 LSA 0.8643
627 SFU 0.8642
628 4JP 0.8642
629 5ZE 0.8642
630 MUC 0.8639
631 IGA 0.8638
632 HVK 0.8638
633 2AP 0.8638
634 4AP 0.8638
635 DGL 0.8638
636 HSL 0.8637
637 YAN 0.8635
638 3AP 0.8633
639 TLD 0.8630
640 LGA 0.8629
641 7EX 0.8628
642 WOT 0.8627
643 NK2 0.8626
644 MBN 0.8624
645 BR8 0.8624
646 FEH 0.8622
647 82I 0.8621
648 6GU 0.8618
649 SWA 0.8617
650 4HM 0.8612
651 GXE 0.8611
652 AMH 0.8608
653 290 0.8601
654 MED 0.8600
655 SX1 0.8598
656 449 0.8594
657 CTS 0.8593
658 CFP 0.8592
659 150 0.8585
660 6CS 0.8579
661 BOA 0.8573
662 ENL 0.8569
663 CIG 0.8568
664 CAX 0.8566
665 42J 0.8565
666 F9P 0.8563
667 2ZX 0.8563
668 DMI 0.8563
669 6AI 0.8563
670 8CL 0.8559
671 CN0 0.8557
672 BCP 0.8555
673 YH7 0.8554
674 DBJ 0.8553
675 MA3 0.8547
676 NMG 0.8546
677 2CQ 0.8537
678 45C 0.8534
679 J1Z 0.8532
680 I4B 0.8516
681 X09 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WKX; Ligand: FUB; 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: 3wkx.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3WKX; Ligand: FUB; 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: 3wkx.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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