Receptor
PDB id Resolution Class Description Source Keywords
1K9E 1.85 Å EC: 3.2.1.139 CRYSTAL STRUCTURE OF A MUTATED FAMILY-67 ALPHA-D-GLUCURONIDA FROM BACILLUS STEAROTHERMOPHILUS T-6, COMPLEXED WITH 4-O-MEG LUCURONIC ACID GEOBACILLUS STEAROTHERMOPHILUS HYDROLASE
Ref.: CRYSTAL STRUCTURES OF GEOBACILLUS STEAROTHERMOPHILU {ALPHA}-GLUCURONIDASE COMPLEXED WITH ITS SUBSTRATE PRODUCTS: MECHANISTIC IMPLICATIONS. J.BIOL.CHEM. V. 279 3014 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GCV A:701;
 Valid;
 none;
 submit data
208.166 C7 H12 O7 CO[C@...
GOL A:801;
A:802;
A:803;
A:804;
A:805;
A:806;
A:807;
A:808;
A:809;
A:810;
A:811;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
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
1L8N 1.5 Å EC: 3.2.1.139 THE 1.5A CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE FROM BAC STEAROTHERMOPHILUS T-1, COMPLEXED WITH 4-O-METHYL-GLUCURONIX YLOTRIOSE GEOBACILLUS STEAROTHERMOPHILUS HYDROLASE
Ref.: CRYSTAL STRUCTURES OF GEOBACILLUS STEAROTHERMOPHILU {ALPHA}-GLUCURONIDASE COMPLEXED WITH ITS SUBSTRATE PRODUCTS: MECHANISTIC IMPLICATIONS. J.BIOL.CHEM. V. 279 3014 2004
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1K9F - XYP XYP GCV n/a n/a
2 1MQQ - GCU C6 H10 O7 [C@@H]1([C....
3 1L8N - XYP XYP n/a n/a
4 1K9E - GCV C7 H12 O7 CO[C@H]1[C....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1K9F - XYP XYP GCV n/a n/a
2 1MQQ - GCU C6 H10 O7 [C@@H]1([C....
3 1L8N - XYP XYP n/a n/a
4 1K9E - GCV C7 H12 O7 CO[C@H]1[C....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1H41 - GCV C7 H12 O7 CO[C@H]1[C....
2 1GQK - BDP C6 H10 O7 [C@@H]1([C....
3 1GQJ - XYP XYP n/a n/a
4 1GQL - XYP XYP n/a n/a
5 1K9F - XYP XYP GCV n/a n/a
6 1MQQ - GCU C6 H10 O7 [C@@H]1([C....
7 1L8N - XYP XYP n/a n/a
8 1K9E - GCV C7 H12 O7 CO[C@H]1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GCV; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 GCW 1 1
2 GCV 1 1
3 BDP 0.45 0.884615
4 GCU 0.45 0.884615
5 ADA 0.45 0.884615
6 GTR 0.45 0.884615
Similar Ligands (3D)
Ligand no: 1; Ligand: GCV; Similar ligands found: 572
No: Ligand Similarity coefficient
1 GLC 0.9565
2 GCB 0.9494
3 PA1 0.9479
4 G2F 0.9477
5 AEZ 0.9446
6 CN0 0.9430
7 EVA 0.9416
8 BGC 0.9411
9 GLT 0.9387
10 GLF 0.9376
11 GYP 0.9341
12 NTZ 0.9313
13 TEP 0.9311
14 ASO 0.9299
15 PXM 0.9298
16 UEG 0.9297
17 HTP 0.9294
18 SHG 0.9290
19 PXL 0.9285
20 RPQ 0.9280
21 GIM 0.9278
22 G3F 0.9272
23 LGC 0.9272
24 GCS 0.9259
25 94B 0.9258
26 CFF 0.9254
27 IJZ 0.9240
28 ZB1 0.9230
29 GLA 0.9229
30 MVL 0.9225
31 MAN 0.9222
32 PFB 0.9221
33 GAL 0.9210
34 NOJ 0.9205
35 NOY 0.9202
36 MA3 0.9199
37 3WA 0.9180
38 15L 0.9178
39 8S0 0.9168
40 KBG 0.9166
41 IFL 0.9162
42 HXX 0.9161
43 293 0.9158
44 INE 0.9157
45 SJ5 0.9151
46 680 0.9147
47 948 0.9146
48 Q6T 0.9146
49 X09 0.9139
50 HJP 0.9138
51 GT0 0.9133
52 FOT 0.9133
53 KFH 0.9131
54 2FG 0.9128
55 9PY 0.9128
56 8XQ 0.9127
57 E7Z 0.9126
58 4AA 0.9120
59 GM7 0.9118
60 CLZ 0.9117
61 SWA 0.9117
62 5WY 0.9116
63 GJS 0.9115
64 7ZE 0.9098
65 URC 0.9097
66 VK3 0.9092
67 DBH 0.9091
68 J9W 0.9088
69 B57 0.9087
70 GTZ 0.9086
71 SOE 0.9081
72 MMA 0.9078
73 YQA 0.9075
74 GOG 0.9074
75 4HC 0.9074
76 FLV 0.9073
77 BMA 0.9060
78 KJY 0.9057
79 WOO 0.9056
80 3IT 0.9053
81 JXZ 0.9052
82 LCN 0.9051
83 5CU 0.9051
84 CTS 0.9050
85 FA0 0.9048
86 5QX 0.9044
87 OA3 0.9042
88 GOX 0.9042
89 9DG 0.9042
90 XAN 0.9041
91 DOB 0.9039
92 3MG 0.9037
93 Z5P 0.9035
94 6F0 0.9033
95 GIV 0.9031
96 H62 0.9028
97 4Z4 0.9027
98 GUN 0.9026
99 MT5 0.9024
100 L7T 0.9022
101 0P6 0.9022
102 2H5 0.9021
103 289 0.9014
104 82I 0.9013
105 I1N 0.9013
106 EJZ 0.9012
107 INS 0.9011
108 3HA 0.9008
109 HNQ 0.9007
110 HLZ 0.9007
111 ALL 0.9006
112 BNT 0.9006
113 NTM 0.9006
114 9MG 0.9006
115 5RG 0.9004
116 BHA 0.9003
117 G5V 0.9000
118 QAT 0.8999
119 K17 0.8999
120 DQN 0.8996
121 GRE 0.8994
122 NDM 0.8992
123 8TX 0.8992
124 2M5 0.8992
125 KGK 0.8991
126 TTY 0.8991
127 AKH 0.8987
128 PE0 0.8985
129 AZ8 0.8984
130 4M0 0.8983
131 M1Q 0.8983
132 SYA 0.8982
133 DPZ 0.8981
134 2CL 0.8980
135 Q7A 0.8979
136 AMG 0.8977
137 C2U 0.8974
138 6M1 0.8970
139 B60 0.8969
140 3Z8 0.8968
141 UQ 0.8967
142 DMJ 0.8967
143 VNL 0.8967
144 5NU 0.8966
145 MBG 0.8965
146 2ZQ 0.8964
147 AFR 0.8963
148 SXS 0.8962
149 MNM 0.8958
150 57O 0.8958
151 QX4 0.8955
152 AQO 0.8954
153 6ME 0.8953
154 H6B 0.8952
155 Q24 0.8951
156 DBJ 0.8950
157 3M0 0.8949
158 B62 0.8949
159 LSA 0.8948
160 KIB 0.8948
161 M5K 0.8947
162 42C 0.8946
163 3DO 0.8944
164 G4D 0.8944
165 44V 0.8943
166 TTL 0.8940
167 95Z 0.8939
168 3RI 0.8936
169 D3M 0.8936
170 DQU 0.8934
171 CIT 0.8933
172 FH2 0.8933
173 KLW 0.8932
174 JKZ 0.8932
175 MAQ 0.8931
176 PHT 0.8931
177 BE2 0.8931
178 TVP 0.8929
179 HQD 0.8928
180 MEW 0.8928
181 JBQ 0.8928
182 NQ 0.8927
183 ISE 0.8926
184 23J 0.8923
185 KIF 0.8923
186 3F0 0.8921
187 GAF 0.8920
188 SR4 0.8920
189 MO8 0.8916
190 5WX 0.8915
191 AJ2 0.8915
192 M3S 0.8914
193 PRZ 0.8914
194 1GN 0.8914
195 X6X 0.8913
196 NGT 0.8912
197 FBT 0.8909
198 X05 0.8905
199 O2A 0.8905
200 7VJ 0.8905
201 UAN 0.8904
202 GZ8 0.8903
203 3RK 0.8902
204 3CU 0.8902
205 B0D 0.8900
206 1LQ 0.8899
207 SAL 0.8898
208 FRU 0.8898
209 NGO 0.8895
210 12B 0.8894
211 GLG 0.8894
212 25W 0.8894
213 FDK 0.8893
214 R8V 0.8893
215 06B 0.8893
216 JTH 0.8890
217 IFM 0.8890
218 HMU 0.8888
219 CBF 0.8886
220 7VS 0.8883
221 I3A 0.8881
222 091 0.8880
223 3U4 0.8879
224 NID 0.8878
225 5WU 0.8876
226 ZVO 0.8875
227 5RN 0.8873
228 ICO 0.8873
229 EPR 0.8872
230 MZB 0.8870
231 4MU 0.8868
232 HKD 0.8868
233 GXL 0.8868
234 PRF 0.8867
235 MUA 0.8866
236 4ME 0.8866
237 3GQ 0.8864
238 ES6 0.8863
239 DHK 0.8862
240 5NS 0.8862
241 DIU 0.8862
242 GTQ 0.8861
243 OXZ 0.8861
244 KT7 0.8859
245 32X 0.8857
246 JXN 0.8857
247 QAS 0.8857
248 FE DB1 0.8856
249 YSO 0.8856
250 GTL 0.8856
251 RXA 0.8855
252 54G 0.8854
253 K5W 0.8853
254 F1A 0.8853
255 IPB 0.8852
256 FYU 0.8852
257 XXR 0.8851
258 4TU 0.8851
259 UNC 0.8851
260 NGW 0.8850
261 D07 0.8848
262 5FN 0.8840
263 JUG 0.8839
264 7B3 0.8836
265 MFU 0.8836
266 3FH 0.8835
267 0W8 0.8830
268 MS9 0.8828
269 8GK 0.8828
270 HHA 0.8825
271 LXC 0.8825
272 DFB 0.8824
273 5M0 0.8824
274 VNJ 0.8823
275 HHT 0.8822
276 NDG 0.8821
277 JKE 0.8819
278 XHP 0.8818
279 5RO 0.8816
280 226 0.8814
281 LKA 0.8814
282 GLO 0.8814
283 TOF 0.8813
284 9KH 0.8813
285 BDF 0.8812
286 2FY 0.8812
287 C2Y 0.8810
288 RAM 0.8808
289 ZXD 0.8808
290 ZWZ 0.8808
291 ORO 0.8808
292 0FO 0.8807
293 2KA 0.8803
294 PYQ 0.8803
295 27B 0.8803
296 KKN 0.8803
297 Q88 0.8802
298 AZF 0.8802
299 2CZ 0.8801
300 FLC 0.8801
301 8H8 0.8801
302 2EC 0.8800
303 GSY 0.8800
304 JXW 0.8799
305 FSW 0.8798
306 QM1 0.8797
307 B55 0.8796
308 5NE 0.8793
309 SOR 0.8792
310 DOR 0.8792
311 2LY 0.8786
312 BTY 0.8785
313 1U6 0.8784
314 9TZ 0.8784
315 NAG 0.8781
316 XXP 0.8781
317 XYP 0.8781
318 ISN 0.8781
319 OTW 0.8778
320 7NI 0.8777
321 8CM 0.8775
322 FDB 0.8775
323 Q71 0.8774
324 FBG 0.8774
325 KJH 0.8774
326 A7W 0.8773
327 BEA 0.8771
328 M0Q 0.8769
329 H33 0.8768
330 FB1 0.8768
331 DHQ 0.8766
332 7HQ 0.8766
333 329 0.8765
334 ZZT 0.8763
335 GV9 0.8763
336 MT8 0.8760
337 7FF 0.8760
338 K3Q 0.8758
339 Q77 0.8758
340 D1X 0.8758
341 LT8 0.8757
342 7WV 0.8757
343 75K 0.8757
344 PHH 0.8755
345 39A 0.8754
346 MHK 0.8754
347 LZ2 0.8754
348 MWP 0.8754
349 M5N 0.8753
350 37T 0.8753
351 DIN 0.8753
352 TFU 0.8752
353 XAZ 0.8752
354 7W4 0.8751
355 12Q 0.8751
356 XX3 0.8751
357 0LH 0.8751
358 1WD 0.8750
359 DHB 0.8750
360 MVN 0.8750
361 0N7 0.8750
362 5Q0 0.8748
363 5IQ 0.8748
364 2MN 0.8748
365 B53 0.8747
366 60Q 0.8746
367 XYS 0.8745
368 5SG 0.8745
369 4XH 0.8745
370 44W 0.8744
371 GXY 0.8744
372 AHR 0.8744
373 I6G 0.8744
374 APZ 0.8743
375 FUL 0.8743
376 FUF 0.8742
377 G6D 0.8741
378 VOH 0.8740
379 SF9 0.8739
380 0RN 0.8739
381 SYV 0.8738
382 AZA 0.8737
383 GDE 0.8737
384 HQY 0.8735
385 KIA 0.8735
386 QPR 0.8734
387 2AK 0.8733
388 GLY PRO 0.8733
389 M0W 0.8732
390 GJP 0.8731
391 JBK 0.8730
392 ES1 0.8729
393 KJ5 0.8729
394 HQT 0.8728
395 AIN 0.8727
396 SHA 0.8726
397 NBG 0.8726
398 TH7 0.8725
399 KBB 0.8725
400 7W1 0.8723
401 N5J 0.8721
402 ENL 0.8721
403 G1O 0.8720
404 JPZ 0.8720
405 1SQ 0.8717
406 4YS 0.8716
407 3C2 0.8716
408 EXO 0.8715
409 KUF 0.8714
410 HH8 0.8714
411 LI6 0.8713
412 209 0.8712
413 ASC 0.8711
414 4JT 0.8710
415 6CS 0.8707
416 LT2 0.8706
417 DBX 0.8705
418 CFP 0.8704
419 6VD 0.8703
420 HMH 0.8703
421 8IG 0.8701
422 CWS 0.8701
423 M1H 0.8699
424 DRL 0.8697
425 24B 0.8697
426 ES7 0.8696
427 MFB 0.8695
428 5JQ 0.8694
429 PQ0 0.8694
430 E7R 0.8692
431 1XN 0.8691
432 67X 0.8691
433 3PF 0.8691
434 EYK 0.8689
435 PH2 0.8689
436 5MK 0.8686
437 AZ9 0.8685
438 7B4 0.8685
439 6M4 0.8680
440 3C1 0.8680
441 4PW 0.8680
442 CKX 0.8680
443 SVD 0.8680
444 MRW 0.8679
445 5WV 0.8678
446 XQK 0.8678
447 1KP 0.8677
448 2ZV 0.8677
449 EQT 0.8677
450 FBV 0.8674
451 TBS 0.8673
452 3DM 0.8673
453 1NP 0.8670
454 KP6 0.8670
455 495 0.8669
456 ARB 0.8669
457 NLA 0.8669
458 RM1 0.8668
459 SKA 0.8666
460 LYL 0.8665
461 LFR 0.8664
462 IGA 0.8663
463 NVU 0.8663
464 GOO 0.8662
465 4JQ 0.8662
466 24W 0.8660
467 173 0.8659
468 P9P 0.8659
469 9KT 0.8658
470 5VL 0.8658
471 CGB 0.8656
472 92K 0.8655
473 NOK 0.8655
474 4XV 0.8652
475 290 0.8652
476 X8D 0.8652
477 HZQ 0.8651
478 0FN 0.8650
479 HHR 0.8650
480 PX7 0.8648
481 MT0 0.8647
482 3SK 0.8646
483 R9S 0.8645
484 NSG 0.8644
485 4RU 0.8644
486 M1A 0.8643
487 GNL 0.8642
488 COU 0.8641
489 DMD 0.8641
490 FUC 0.8641
491 RNS 0.8641
492 7D2 0.8638
493 6GU 0.8636
494 EA1 0.8635
495 IFP 0.8633
496 SKM 0.8631
497 ZZ8 0.8631
498 86J 0.8630
499 QQQ 0.8629
500 YIO 0.8629
501 3XX 0.8629
502 4SV 0.8628
503 1KH 0.8627
504 EMZ 0.8626
505 HFB 0.8622
506 141 0.8622
507 VC2 0.8622
508 FA3 0.8621
509 4NG 0.8619
510 FHN 0.8613
511 F81 0.8610
512 ALA PRO 0.8609
513 DX4 0.8608
514 A2F 0.8607
515 5QY 0.8607
516 6AP 0.8606
517 GZQ 0.8606
518 OCH 0.8604
519 DQA 0.8602
520 3A9 0.8599
521 EKZ 0.8599
522 5NI 0.8598
523 AZG 0.8597
524 149 0.8597
525 DX3 0.8596
526 DIE 0.8595
527 7A3 0.8595
528 DNA 0.8594
529 18N 0.8594
530 KJU 0.8591
531 DNF 0.8590
532 QIC 0.8590
533 5CL 0.8586
534 X1E 0.8585
535 67N 0.8584
536 2D0 0.8584
537 TAG 0.8584
538 BCF 0.8582
539 YH7 0.8581
540 FDR 0.8581
541 X0V 0.8581
542 3R9 0.8580
543 SX1 0.8580
544 2TQ 0.8579
545 2AQ 0.8577
546 PCI 0.8576
547 IV2 0.8576
548 FCA 0.8575
549 1F1 0.8570
550 L99 0.8570
551 1XM 0.8566
552 03V 0.8565
553 7A2 0.8562
554 F3B 0.8558
555 IBM 0.8555
556 2D3 0.8554
557 OTD 0.8551
558 DEE 0.8548
559 BCU 0.8547
560 GC2 0.8546
561 6BL 0.8545
562 TSS 0.8541
563 BPU 0.8540
564 LDR 0.8538
565 B5D 0.8535
566 7ME 0.8529
567 1LN 0.8529
568 4FH 0.8527
569 M1E 0.8526
570 JBE 0.8525
571 N7P 0.8523
572 GDL 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1L8N; Ligand: GCW; 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: 1l8n.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1L8N; Ligand: GCW; 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: 1l8n.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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