Receptor
PDB id Resolution Class Description Source Keywords
3AKI 2 Å EC: 3.2.1.55 CRYSTAL STRUCTURE OF EXO-1,5-ALPHA-L-ARABINOFURANOSIDASE COM WITH ALPHA-L-ARABINOFURANOSYL AZIDO STREPTOMYCES AVERMITILIS FIVE-BLADED BETA PROPELLER BETA-TREFOIL HYDROLASE
Ref.: CRYSTAL STRUCTURE OF AN EXO-1,5-{ALPHA}-L-ARABINOFURANOSIDASE FROM STREPTOM AVERMITILIS PROVIDES INSIGHTS INTO THE MECHANISM OF SUBSTRATE DISCRIMINATION BETWEEN EXO- AND ENDO-TYPE IN GLYCOSIDE HYDROLASE FAMILY 43. J.BIOL.CHEM. V. 285
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AH8 A:551;
A:561;
A:571;
A:581;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
175.143 C5 H9 N3 O4 C([C@...
CL A:501;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GOL A:591;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NA A:502;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3AKI 2 Å EC: 3.2.1.55 CRYSTAL STRUCTURE OF EXO-1,5-ALPHA-L-ARABINOFURANOSIDASE COM WITH ALPHA-L-ARABINOFURANOSYL AZIDO STREPTOMYCES AVERMITILIS FIVE-BLADED BETA PROPELLER BETA-TREFOIL HYDROLASE
Ref.: CRYSTAL STRUCTURE OF AN EXO-1,5-{ALPHA}-L-ARABINOFURANOSIDASE FROM STREPTOM AVERMITILIS PROVIDES INSIGHTS INTO THE MECHANISM OF SUBSTRATE DISCRIMINATION BETWEEN EXO- AND ENDO-TYPE IN GLYCOSIDE HYDROLASE FAMILY 43. J.BIOL.CHEM. V. 285
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3AKI - AH8 C5 H9 N3 O4 C([C@H]1[C....
2 3AKH - AHR AHR n/a n/a
3 3AKG - AHR AHR n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3AKI - AH8 C5 H9 N3 O4 C([C@H]1[C....
2 3AKH - AHR AHR n/a n/a
3 3AKG - AHR AHR n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3AKI - AH8 C5 H9 N3 O4 C([C@H]1[C....
2 3AKH - AHR AHR n/a n/a
3 3AKG - AHR AHR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AH8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AH8 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: AH8; Similar ligands found: 611
No: Ligand Similarity coefficient
1 6LW 0.9692
2 V55 0.9640
3 AHR 0.9481
4 LFR 0.9431
5 VNL 0.9413
6 PSV 0.9397
7 GYE 0.9380
8 3DM 0.9339
9 BZ3 0.9335
10 GZL 0.9335
11 5OB 0.9316
12 3XX 0.9309
13 SF9 0.9301
14 OMD 0.9293
15 ASC 0.9292
16 EUG 0.9290
17 LRH 0.9283
18 4HM 0.9281
19 F0J 0.9277
20 H7Y 0.9272
21 0HO 0.9270
22 4AA 0.9260
23 SF6 0.9244
24 3MB 0.9238
25 7WR 0.9236
26 DNC 0.9235
27 UAN 0.9234
28 OVM 0.9225
29 DGJ 0.9221
30 OW4 0.9209
31 MBG 0.9208
32 OW7 0.9206
33 32O 0.9201
34 LDP 0.9201
35 0HN 0.9198
36 5XC 0.9196
37 I3A 0.9193
38 4M4 0.9191
39 HQ9 0.9187
40 G4D 0.9187
41 AOS 0.9182
42 VXX 0.9182
43 3Z7 0.9175
44 C2U 0.9173
45 OVP 0.9173
46 8WO 0.9171
47 AX3 0.9170
48 7VJ 0.9166
49 8TX 0.9165
50 F31 0.9165
51 SRO 0.9161
52 VOH 0.9159
53 FHN 0.9158
54 EOL 0.9152
55 BGC 0.9151
56 3R6 0.9151
57 URC 0.9147
58 PDC 0.9142
59 FP1 0.9141
60 54G 0.9137
61 AEH 0.9136
62 ZZT 0.9135
63 2LP 0.9130
64 TWO 0.9127
65 Z6J 0.9127
66 7MU 0.9125
67 GTQ 0.9124
68 HX3 0.9122
69 GLA 0.9121
70 92P 0.9121
71 SR1 0.9118
72 069 0.9118
73 ONR 0.9118
74 PRZ 0.9115
75 FUD 0.9115
76 329 0.9114
77 LGC 0.9109
78 FOT 0.9108
79 Q88 0.9107
80 2AL 0.9102
81 8WT 0.9102
82 FUB 0.9099
83 H76 0.9098
84 GTL 0.9097
85 INO 0.9096
86 9MG 0.9094
87 PSJ 0.9092
88 DHB 0.9092
89 PD2 0.9091
90 261 0.9087
91 DNF 0.9084
92 IHB 0.9084
93 5RG 0.9081
94 F12 0.9078
95 GDE 0.9078
96 2A9 0.9078
97 9TZ 0.9075
98 0FN 0.9073
99 GAL 0.9072
100 OVV 0.9070
101 FYU 0.9070
102 DHK 0.9062
103 KOJ 0.9060
104 4AV 0.9060
105 MR1 0.9057
106 5M0 0.9057
107 V6F 0.9057
108 FRU 0.9055
109 ICO 0.9055
110 GV9 0.9054
111 SKM 0.9051
112 QSH 0.9050
113 HQJ 0.9050
114 IJZ 0.9048
115 5GU 0.9048
116 3BU 0.9046
117 CHB 0.9043
118 5MK 0.9040
119 DIU 0.9040
120 HMU 0.9032
121 9KH 0.9031
122 HJP 0.9031
123 C2Y 0.9031
124 7VS 0.9029
125 2BG 0.9029
126 GLF 0.9026
127 MYJ 0.9025
128 RD4 0.9023
129 93K 0.9023
130 FLC 0.9021
131 P9P 0.9019
132 2HO 0.9019
133 2GS 0.9019
134 L5V 0.9018
135 X6X 0.9018
136 GLC 0.9017
137 AS3 0.9016
138 4XR 0.9013
139 QIC 0.9013
140 ROR 0.9011
141 QSB 0.9010
142 CIT 0.9008
143 XYP 0.9008
144 NVU 0.9007
145 TSS 0.9007
146 GAB 0.9007
147 3HB 0.9007
148 EV0 0.9005
149 AOR 0.9003
150 94B 0.9002
151 RIB 0.9001
152 1X7 0.9001
153 IF7 0.9000
154 ADA 0.9000
155 8S0 0.8999
156 SC2 0.8999
157 N8P 0.8999
158 T6C 0.8997
159 J9T 0.8996
160 6ME 0.8994
161 4NC 0.8993
162 YTX 0.8991
163 BK9 0.8991
164 NFQ 0.8989
165 GCS 0.8989
166 HLD 0.8989
167 XX2 0.8987
168 4A5 0.8986
169 YIO 0.8983
170 SHA 0.8983
171 FPK 0.8982
172 EMZ 0.8980
173 NIG 0.8979
174 2FG 0.8977
175 ORO 0.8977
176 MAN 0.8976
177 IFM 0.8975
178 5FX 0.8974
179 ARW 0.8974
180 SYV 0.8973
181 5RN 0.8973
182 9TW 0.8972
183 GOX 0.8971
184 GIV 0.8970
185 6R8 0.8969
186 RAT 0.8964
187 LPK 0.8962
188 II6 0.8960
189 PA1 0.8959
190 BMA 0.8959
191 DBH 0.8959
192 RNS 0.8958
193 M1E 0.8958
194 P4B 0.8957
195 2TQ 0.8956
196 MFU 0.8955
197 6CS 0.8953
198 PHT 0.8953
199 3AB 0.8953
200 9DG 0.8952
201 SDD 0.8950
202 RAM 0.8946
203 NTM 0.8945
204 2H5 0.8944
205 UEG 0.8942
206 KIB 0.8942
207 24B 0.8942
208 R8S 0.8939
209 MA3 0.8939
210 NOJ 0.8939
211 DOR 0.8937
212 VPR 0.8937
213 ICT 0.8936
214 ES0 0.8936
215 4XV 0.8936
216 GXL 0.8933
217 42J 0.8931
218 3R9 0.8930
219 53C 0.8929
220 CWM 0.8928
221 M0Q 0.8927
222 4CS 0.8926
223 TBP 0.8922
224 8VN 0.8921
225 4ZC 0.8920
226 ZXD 0.8919
227 7MH 0.8919
228 GAF 0.8918
229 0GZ 0.8918
230 TSR 0.8917
231 DA4 0.8917
232 3BZ 0.8917
233 DMJ 0.8915
234 463 0.8915
235 1AL 0.8914
236 LYL 0.8914
237 Q6T 0.8914
238 42C 0.8912
239 XAN 0.8912
240 2LY 0.8911
241 3NT 0.8911
242 XLS 0.8910
243 OXC 0.8910
244 4ME 0.8910
245 SVD 0.8906
246 KDF 0.8906
247 FE DB1 0.8906
248 PFL 0.8905
249 MNM 0.8902
250 FUL 0.8901
251 XYL 0.8900
252 RB5 0.8900
253 RB0 0.8900
254 BDF 0.8900
255 AIN 0.8899
256 CUW 0.8898
257 NSP 0.8897
258 HHA 0.8896
259 JFJ 0.8895
260 ZZ3 0.8894
261 WOO 0.8894
262 1GN 0.8893
263 YQA 0.8893
264 B2J 0.8892
265 3HA 0.8892
266 7A2 0.8891
267 7HQ 0.8891
268 3F0 0.8890
269 2FY 0.8889
270 IFL 0.8888
271 NMJ 0.8887
272 SOE 0.8887
273 GUN 0.8885
274 AKH 0.8885
275 XUL 0.8883
276 PZI 0.8882
277 LSA 0.8881
278 HA7 0.8881
279 4XS 0.8878
280 GT0 0.8878
281 DPF 0.8878
282 GCO 0.8877
283 C2A 0.8877
284 7WG 0.8877
285 5NU 0.8875
286 5HN 0.8874
287 HMQ 0.8873
288 41K 0.8871
289 3HP 0.8871
290 EXO 0.8871
291 FDK 0.8870
292 AN0 0.8869
293 3M0 0.8869
294 LNR 0.8868
295 ZWZ 0.8867
296 3DO 0.8865
297 SOR 0.8862
298 FH2 0.8862
299 GLO 0.8862
300 RBL 0.8859
301 149 0.8859
302 BRT 0.8857
303 8GC 0.8856
304 293 0.8854
305 PBE 0.8854
306 PXL 0.8853
307 CAX 0.8853
308 HIO 0.8851
309 QM1 0.8850
310 KLW 0.8850
311 EPR 0.8849
312 TAR 0.8848
313 DIE 0.8848
314 ENL 0.8847
315 2EC 0.8847
316 PRY 0.8846
317 12M 0.8846
318 95Z 0.8846
319 LLH 0.8845
320 NCD 0.8843
321 WCE 0.8842
322 ZZ8 0.8841
323 0W8 0.8840
324 4PW 0.8839
325 A29 0.8838
326 D1X 0.8838
327 ALL 0.8838
328 OHP 0.8837
329 AGK 0.8837
330 CTL 0.8834
331 IUP 0.8833
332 LZM 0.8832
333 JTH 0.8831
334 MIG 0.8830
335 RM4 0.8829
336 8WQ 0.8829
337 DIG 0.8828
338 ADE 0.8828
339 CKU 0.8827
340 MWP 0.8826
341 G3F 0.8826
342 9SE 0.8826
343 TRA 0.8825
344 ZB1 0.8825
345 TAG 0.8824
346 NDH 0.8823
347 948 0.8821
348 42A 0.8821
349 7N0 0.8820
350 SX1 0.8819
351 IPZ 0.8818
352 MEV 0.8817
353 3OC 0.8816
354 3S6 0.8815
355 JZ4 0.8812
356 GM7 0.8812
357 HYA 0.8811
358 4TE 0.8810
359 IFP 0.8809
360 R1X 0.8808
361 GCU 0.8808
362 AW5 0.8806
363 KP6 0.8805
364 DPJ 0.8805
365 AZF 0.8804
366 8G0 0.8801
367 R8V 0.8801
368 JND 0.8801
369 JZ3 0.8799
370 IMR 0.8799
371 FA6 0.8798
372 SRT 0.8798
373 SHG 0.8797
374 39U 0.8797
375 FUC 0.8796
376 2A7 0.8795
377 GIF 0.8795
378 MAH 0.8792
379 3MG 0.8790
380 MMA 0.8788
381 R2B 0.8788
382 PXM 0.8786
383 G8M 0.8786
384 EDG 0.8785
385 M0W 0.8783
386 J9W 0.8783
387 B0D 0.8781
388 XAZ 0.8781
389 GNL 0.8780
390 GZ8 0.8779
391 2FT 0.8778
392 82I 0.8778
393 QDK 0.8776
394 4P0 0.8776
395 3IT 0.8774
396 G2F 0.8773
397 XQG 0.8773
398 DBJ 0.8772
399 KG1 0.8771
400 OAA 0.8771
401 HXX 0.8770
402 AKG 0.8770
403 HLZ 0.8770
404 GTR 0.8769
405 ASO 0.8769
406 2PG 0.8767
407 EYK 0.8767
408 DMO 0.8766
409 M1H 0.8764
410 7D2 0.8763
411 ASP 0.8763
412 7A3 0.8755
413 HPT 0.8753
414 SJ5 0.8753
415 OXZ 0.8753
416 BSX 0.8753
417 3CU 0.8752
418 TRC 0.8751
419 NNO 0.8750
420 AMG 0.8750
421 RNT 0.8749
422 S76 0.8748
423 7HP 0.8747
424 TLA 0.8747
425 MZM 0.8747
426 GYP 0.8746
427 FCB 0.8746
428 BDP 0.8746
429 SR4 0.8746
430 3C4 0.8746
431 FGZ 0.8745
432 4A3 0.8744
433 B53 0.8744
434 X1R 0.8744
435 KTA 0.8742
436 QBK 0.8742
437 091 0.8739
438 3AL 0.8737
439 DEE 0.8737
440 5WY 0.8736
441 QAS 0.8736
442 3HM 0.8736
443 G6D 0.8735
444 FHB 0.8734
445 NOY 0.8734
446 25W 0.8732
447 RIP 0.8732
448 B55 0.8728
449 2ZQ 0.8726
450 AI2 0.8725
451 GIO 0.8725
452 DZX 0.8722
453 15L 0.8722
454 MO8 0.8720
455 UNC 0.8719
456 IPM 0.8719
457 SIF 0.8719
458 14W 0.8718
459 SAL 0.8717
460 2XX 0.8715
461 KIA 0.8715
462 DRL 0.8715
463 GJS 0.8714
464 34D 0.8712
465 HPA 0.8712
466 DBX 0.8712
467 23A 0.8706
468 51R 0.8706
469 REL 0.8706
470 ISD 0.8705
471 0LH 0.8705
472 SFU 0.8702
473 NSG 0.8702
474 4MU 0.8699
475 DHY 0.8698
476 MCO 0.8698
477 5WX 0.8696
478 A13 0.8695
479 75K 0.8695
480 R1P 0.8695
481 OKM 0.8694
482 289 0.8693
483 DHS 0.8692
484 NK 0.8689
485 Z5P 0.8689
486 2DR 0.8687
487 NBG 0.8687
488 4FH 0.8686
489 FCA 0.8685
490 1LQ 0.8685
491 FUF 0.8685
492 GLT 0.8684
493 GCB 0.8684
494 TEN 0.8684
495 QAT 0.8683
496 2AS 0.8681
497 2D0 0.8679
498 NLQ 0.8679
499 TTL 0.8678
500 KDO 0.8676
501 6JN 0.8676
502 MLT 0.8674
503 JLZ 0.8673
504 KBB 0.8673
505 FSW 0.8673
506 4WK 0.8673
507 CIZ 0.8672
508 X0V 0.8671
509 2HC 0.8671
510 HY3 0.8669
511 3SK 0.8667
512 GTZ 0.8666
513 92K 0.8666
514 MTL 0.8666
515 FPY 0.8665
516 MLE 0.8663
517 SXS 0.8662
518 XXR 0.8662
519 LFC 0.8661
520 BTY 0.8657
521 CTS 0.8657
522 OHJ 0.8656
523 5JQ 0.8656
524 TFU 0.8655
525 LKA 0.8655
526 MFB 0.8655
527 3S4 0.8654
528 1U6 0.8654
529 7UC 0.8651
530 HHT 0.8651
531 1P7 0.8646
532 15A 0.8646
533 6XI 0.8644
534 1DW 0.8644
535 8VE 0.8644
536 NLG 0.8644
537 X09 0.8640
538 URF 0.8640
539 A7W 0.8639
540 AUD 0.8639
541 5HY 0.8638
542 MUC 0.8637
543 5ZZ 0.8636
544 10L 0.8636
545 N8Y 0.8635
546 XCZ 0.8633
547 4Z4 0.8633
548 L3Q 0.8631
549 1CO 0.8629
550 AFR 0.8626
551 CXF 0.8625
552 7NI 0.8624
553 PEA 0.8624
554 N5J 0.8622
555 51F 0.8621
556 MVL 0.8620
557 SOL 0.8618
558 P7Y 0.8617
559 HCA 0.8616
560 61M 0.8615
561 210 0.8613
562 GLY PRO 0.8613
563 5B1 0.8610
564 SWA 0.8609
565 1XN 0.8609
566 ECG 0.8609
567 1SQ 0.8603
568 BCU 0.8603
569 BTE 0.8602
570 2ED 0.8602
571 5IQ 0.8601
572 9DA 0.8600
573 X05 0.8599
574 2CL 0.8598
575 ASN 0.8598
576 MB1 0.8596
577 9HX 0.8594
578 DII 0.8593
579 N7P 0.8592
580 4RW 0.8592
581 GJZ 0.8588
582 FIX 0.8588
583 4NG 0.8588
584 INS 0.8587
585 MSN 0.8583
586 KUF 0.8583
587 4XY 0.8580
588 6AP 0.8579
589 BOA 0.8578
590 HJ7 0.8575
591 KT7 0.8574
592 M6N 0.8564
593 24W 0.8563
594 YH7 0.8562
595 AZA 0.8561
596 6MP 0.8560
597 7WA 0.8560
598 HDL 0.8559
599 DGL 0.8558
600 M2K 0.8556
601 BP1 0.8550
602 J01 0.8548
603 DMD 0.8548
604 A2F 0.8545
605 AHB 0.8545
606 3ID 0.8542
607 DIN 0.8534
608 AZ8 0.8532
609 57O 0.8524
610 8EZ 0.8517
611 GLN 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3AKI; Ligand: AH8; 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: 3aki.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3AKI; Ligand: AH8; 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: 3aki.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3AKI; Ligand: AH8; 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: 3aki.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3AKI; Ligand: AH8; 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: 3aki.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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