Receptor
PDB id Resolution Class Description Source Keywords
6f71 2.3 Å EC: 2.5.1.18 CRYSTAL STRUCTURE OF GLUTATHIONE TRANSFERASE OMEGA 6S FROM T VERSICOLOR IN COMPLEX WITH NARINGENIN TRAMETES VERSICOLOR GLUTATHIONE FUNGI POLYPHENOLS WOOD DECAYERS TRANSFERASE
Ref.: MOLECULAR RECOGNITION OF WOOD POLYPHENOLS BY PHASE DETOXIFICATION ENZYMES OF THE WHITE ROT TRAMETES VE SCI REP V. 8 8472 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CWE C:300;
B:300;
A:300;
D:300;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
272.253 C15 H12 O5 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6F70 1.48 Å EC: 2.5.1.18 CRYSTAL STRUCTURE OF GLUTATHIONE TRANSFERASE OMEGA 6S FROM T VERSICOLOR TRAMETES VERSICOLOR GLUTATHIONE FUNGI POLYPHENOLS WOOD DECAYERS TRANSFERASE
Ref.: MOLECULAR RECOGNITION OF WOOD POLYPHENOLS BY PHASE DETOXIFICATION ENZYMES OF THE WHITE ROT TRAMETES VE SCI REP V. 8 8472 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 6F71 - CWE C15 H12 O5 c1cc(ccc1[....
2 6F70 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 6F71 - CWE C15 H12 O5 c1cc(ccc1[....
2 6F70 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 6F69 - CUH C13 H10 O4 c1ccc(cc1)....
2 6HPE - GVX C19 H26 N4 O6 S2 c1ccc(cc1)....
3 6F67 - CUQ C13 H10 O3 c1ccc(cc1)....
4 6F51 - CNZ C24 H28 N3 O7 S c1ccc(cc1)....
5 6F68 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
6 6F6A - GSH C10 H17 N3 O6 S C(CC(=O)N[....
7 6F4F - GDN C16 H19 N5 O10 S c1cc(c(cc1....
8 6F4K - GTX C16 H30 N3 O6 S CCCCCCSC[C....
9 6F66 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
10 6F4B - GSH C10 H17 N3 O6 S C(CC(=O)N[....
11 6F71 - CWE C15 H12 O5 c1cc(ccc1[....
12 6F70 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CWE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 CWE 1 1
2 NAR 1 1
3 SAK 0.65 0.870968
4 6JP 0.609375 0.848485
5 DFV 0.516667 0.928571
6 DFL 0.460317 0.857143
Similar Ligands (3D)
Ligand no: 1; Ligand: CWE; Similar ligands found: 512
No: Ligand Similarity coefficient
1 O9Z 0.9954
2 AGI 0.9859
3 KMP 0.9826
4 O9T 0.9817
5 LU2 0.9777
6 57D 0.9688
7 7LU 0.9677
8 DH2 0.9666
9 O9Q 0.9583
10 QUE 0.9582
11 3JC 0.9579
12 J8D 0.9569
13 3WL 0.9561
14 6B5 0.9521
15 CC6 0.9511
16 6BK 0.9477
17 HWB 0.9473
18 MRI 0.9462
19 NU3 0.9458
20 DQH 0.9442
21 E9L 0.9442
22 CDJ 0.9432
23 DDC 0.9428
24 RGK 0.9421
25 3F4 0.9404
26 VT3 0.9403
27 SZ5 0.9403
28 M3W 0.9398
29 W8L 0.9398
30 25F 0.9385
31 3TI 0.9384
32 J8G 0.9382
33 H2W 0.9380
34 20D 0.9355
35 H32 0.9354
36 1V1 0.9335
37 OSY 0.9332
38 A73 0.9325
39 MYC 0.9322
40 MYU 0.9320
41 IRH 0.9316
42 91F 0.9314
43 IM5 0.9310
44 08C 0.9308
45 AJ4 0.9300
46 244 0.9285
47 A63 0.9282
48 5DE 0.9280
49 F40 0.9277
50 FSE 0.9268
51 7L4 0.9261
52 SGW 0.9261
53 25K 0.9261
54 97K 0.9253
55 1HP 0.9250
56 NKI 0.9250
57 27F 0.9241
58 BUX 0.9240
59 NW1 0.9234
60 4L2 0.9228
61 DX8 0.9227
62 BJ4 0.9227
63 M16 0.9216
64 1V8 0.9204
65 3GX 0.9196
66 68C 0.9190
67 1Q4 0.9190
68 D64 0.9184
69 L3L 0.9183
70 AJ6 0.9181
71 5P3 0.9179
72 5NN 0.9174
73 1UZ 0.9171
74 1UT 0.9170
75 OUA 0.9169
76 KXN 0.9168
77 1UR 0.9165
78 B4L 0.9164
79 AX1 0.9163
80 6DQ 0.9163
81 8M5 0.9160
82 7G2 0.9158
83 WLH 0.9158
84 FY8 0.9155
85 5WW 0.9142
86 LI7 0.9136
87 HUL 0.9135
88 LZ7 0.9134
89 6QT 0.9120
90 OUG 0.9118
91 GEN 0.9116
92 TH1 0.9111
93 6JM 0.9110
94 P4L 0.9109
95 697 0.9108
96 T5J 0.9106
97 UAY 0.9106
98 CMG 0.9104
99 0H5 0.9095
100 9JT 0.9090
101 4CN 0.9086
102 9CE 0.9085
103 OT4 0.9079
104 7G0 0.9073
105 AEY 0.9072
106 3WJ 0.9061
107 802 0.9060
108 TYP 0.9056
109 E6Q 0.9054
110 5B2 0.9053
111 OAK 0.9049
112 C4E 0.9046
113 2QV 0.9044
114 IMK 0.9044
115 WST 0.9041
116 0DF 0.9040
117 338 0.9038
118 123 0.9037
119 1V0 0.9037
120 334 0.9033
121 A64 0.9032
122 5E5 0.9024
123 Q11 0.9023
124 M08 0.9020
125 0OK 0.9020
126 7EH 0.9019
127 F36 0.9018
128 0NH 0.9016
129 AV6 0.9014
130 EMU 0.9014
131 KWB 0.9014
132 O53 0.9007
133 EEY 0.9005
134 3WK 0.9005
135 SNJ 0.9004
136 X8I 0.9004
137 06R 0.9004
138 1FL 0.9003
139 7VF 0.9000
140 IDD 0.9000
141 BZC 0.8998
142 907 0.8998
143 ZRL 0.8994
144 D5F 0.8993
145 40N 0.8993
146 DXK 0.8991
147 2QU 0.8990
148 IY5 0.8990
149 QS4 0.8987
150 6TJ 0.8987
151 MHB 0.8985
152 1V4 0.8985
153 6DE 0.8984
154 4K2 0.8982
155 G2V 0.8979
156 15Q 0.8977
157 6QX 0.8976
158 IQW 0.8976
159 T34 0.8975
160 6XC 0.8973
161 553 0.8970
162 BHF 0.8969
163 FHI 0.8961
164 BRY 0.8961
165 MR4 0.8958
166 Q92 0.8957
167 3DE 0.8956
168 6JO 0.8955
169 4YF 0.8953
170 PIQ 0.8952
171 4NR 0.8948
172 Q2S 0.8946
173 D4O 0.8946
174 X8E 0.8944
175 AVX 0.8943
176 2UV 0.8942
177 245 0.8939
178 3WO 0.8932
179 3WN 0.8932
180 Q0K 0.8931
181 IW6 0.8931
182 2ZI 0.8931
183 LR2 0.8928
184 SU9 0.8925
185 LVY 0.8923
186 ZEA 0.8919
187 196 0.8919
188 LIG 0.8918
189 1V3 0.8914
190 8E3 0.8912
191 UN4 0.8909
192 041 0.8908
193 DX7 0.8907
194 ZRK 0.8906
195 31F 0.8905
196 3D8 0.8903
197 QUG 0.8902
198 B7H 0.8901
199 KS5 0.8898
200 P34 0.8895
201 8EC 0.8894
202 5ZM 0.8893
203 29F 0.8892
204 HH6 0.8892
205 83D 0.8888
206 HWH 0.8885
207 JZ8 0.8885
208 Y70 0.8885
209 IPJ 0.8883
210 J2W 0.8882
211 DL6 0.8881
212 AJ8 0.8879
213 XIL 0.8877
214 JO8 0.8876
215 IK1 0.8876
216 IIH 0.8875
217 47V 0.8875
218 TVC 0.8875
219 HCC 0.8872
220 MR5 0.8872
221 XYP XYP 0.8871
222 W2E 0.8871
223 2P3 0.8870
224 IEE 0.8869
225 Q9T 0.8867
226 7M2 0.8867
227 ZTW 0.8866
228 R4E 0.8865
229 272 0.8864
230 SDN 0.8862
231 IDZ 0.8858
232 79X 0.8856
233 PJK 0.8856
234 WDW 0.8856
235 X2L 0.8855
236 34L 0.8854
237 FSU 0.8852
238 L6Y 0.8851
239 GQZ 0.8851
240 1FE 0.8849
241 STL 0.8849
242 47X 0.8849
243 3XL 0.8848
244 53X 0.8847
245 5TU 0.8847
246 BL7 0.8846
247 0SY 0.8846
248 LJ2 0.8846
249 I0G 0.8843
250 TVZ 0.8843
251 GAT 0.8843
252 7M5 0.8840
253 NAL 0.8840
254 39Z 0.8839
255 AJD 0.8838
256 XDL XYP 0.8836
257 XZ1 0.8836
258 JTF 0.8832
259 22T 0.8832
260 EI1 0.8832
261 U4J 0.8831
262 NIF 0.8831
263 FL8 0.8830
264 IXM 0.8830
265 21E 0.8828
266 3Q0 0.8828
267 JFS 0.8827
268 36K 0.8826
269 XAV 0.8826
270 BVB 0.8825
271 5EZ 0.8825
272 ML1 0.8824
273 ZAR 0.8821
274 S13 0.8820
275 4YE 0.8820
276 4GU 0.8820
277 27M 0.8817
278 XYS AZI XYS 0.8816
279 MBP 0.8813
280 BK2 0.8812
281 NVS 0.8810
282 EES 0.8809
283 B2E 0.8809
284 XYP XDN 0.8808
285 5YA 0.8808
286 YE7 0.8806
287 YEX 0.8805
288 7FC 0.8804
289 PE2 0.8804
290 2GQ 0.8801
291 RPB 0.8800
292 LJ1 0.8800
293 ECZ 0.8800
294 3G5 0.8799
295 GQE 0.8799
296 H35 0.8799
297 CR4 0.8796
298 HFT 0.8796
299 FYR 0.8795
300 KOM 0.8794
301 CX6 0.8793
302 NIY 0.8793
303 CUE 0.8792
304 NWD 0.8792
305 124 0.8792
306 6H2 0.8792
307 FCW 0.8791
308 4ZF 0.8789
309 ASE 0.8788
310 801 0.8788
311 0UL 0.8786
312 NBZ GLA 0.8785
313 PZX 0.8784
314 NXB 0.8780
315 AUY 0.8780
316 M07 0.8779
317 ML2 0.8779
318 JSX 0.8778
319 AP6 0.8776
320 8WB 0.8772
321 6FX 0.8771
322 BBY 0.8771
323 92O 0.8771
324 BL4 0.8769
325 HRD 0.8768
326 62D 0.8767
327 DBE 0.8766
328 MRE 0.8764
329 NE2 0.8763
330 5AD 0.8763
331 MT6 0.8763
332 MXM 0.8763
333 Q5M 0.8755
334 NZ4 0.8754
335 0O7 0.8754
336 2WU 0.8753
337 797 0.8752
338 XYS XYS 0.8750
339 BMZ 0.8750
340 122 0.8749
341 A05 0.8749
342 OSJ 0.8747
343 Q19 0.8743
344 OAL 0.8742
345 CJB 0.8742
346 7A9 0.8739
347 7FZ 0.8739
348 789 0.8736
349 WG8 0.8730
350 DMB 0.8730
351 6WL 0.8730
352 120 0.8729
353 PIT 0.8729
354 KLV 0.8728
355 CMP 0.8727
356 FZB 0.8727
357 121 0.8726
358 5OR 0.8725
359 LJ5 0.8724
360 EF2 0.8724
361 4F8 0.8723
362 ECS 0.8722
363 BUN 0.8721
364 8E6 0.8720
365 4P9 0.8720
366 IKY 0.8718
367 B23 0.8715
368 XIF XYP 0.8712
369 AXX 0.8712
370 9K2 0.8711
371 S1D 0.8711
372 XYP XIF 0.8710
373 AC2 0.8707
374 VBC 0.8707
375 ESM 0.8706
376 WA2 0.8706
377 4L6 0.8704
378 Q8D 0.8704
379 FNT 0.8703
380 5XL 0.8703
381 0FZ 0.8702
382 Q12 0.8702
383 JKN 0.8702
384 SIJ 0.8700
385 BIE 0.8698
386 9XZ 0.8698
387 F08 0.8695
388 WCU 0.8695
389 QC1 0.8694
390 35G 0.8693
391 T21 0.8693
392 U14 0.8690
393 S98 0.8690
394 36I 0.8690
395 L2K 0.8690
396 K8W 0.8688
397 FX5 0.8686
398 4KN 0.8685
399 5XM 0.8684
400 P2L 0.8684
401 B2L 0.8683
402 76P 0.8683
403 TQ1 0.8681
404 BIT 0.8681
405 IW1 0.8681
406 LOX XYP 0.8681
407 XDN XYP 0.8679
408 S1C 0.8678
409 833 0.8676
410 E92 0.8675
411 BL6 0.8674
412 7DE 0.8673
413 DEH 0.8671
414 5CJ 0.8670
415 4EU 0.8670
416 FHV 0.8669
417 AKD 0.8669
418 H75 0.8668
419 4AJ 0.8668
420 OJ7 0.8666
421 CFK 0.8666
422 GN5 0.8665
423 KP2 0.8664
424 5ER 0.8663
425 DZ2 0.8663
426 OAQ 0.8661
427 RSV 0.8660
428 JNW 0.8660
429 2UD 0.8660
430 108 0.8659
431 AUG 0.8657
432 NE1 0.8656
433 E98 0.8655
434 OTA 0.8653
435 9C8 0.8653
436 LWS 0.8652
437 IW3 0.8651
438 MG7 0.8651
439 AUE 0.8645
440 96Z 0.8645
441 5LP 0.8644
442 57U 0.8642
443 PCQ 0.8642
444 FBC 0.8641
445 NOC 0.8641
446 EST 0.8641
447 M9K 0.8641
448 XYP XIM 0.8641
449 BG8 0.8640
450 DN8 0.8639
451 RNK 0.8638
452 4VT 0.8638
453 8UY 0.8637
454 5WT 0.8634
455 HKK 0.8632
456 35K 0.8630
457 RDV 0.8624
458 18E 0.8624
459 5PK 0.8624
460 Q7U 0.8623
461 72H 0.8623
462 H4B 0.8623
463 RNP 0.8620
464 64F 0.8619
465 5KN 0.8618
466 U13 0.8616
467 PP1 0.8615
468 3QI 0.8613
469 5M2 0.8611
470 4HG 0.8610
471 CU8 0.8608
472 0NJ 0.8608
473 1EL 0.8608
474 INI 0.8606
475 205 0.8604
476 28B 0.8603
477 XYS XYP 0.8603
478 3AK 0.8602
479 51Y 0.8600
480 BGC BGC 0.8600
481 5E2 0.8598
482 LLG 0.8593
483 0MB 0.8592
484 8CC 0.8592
485 MIL 0.8591
486 NRA 0.8590
487 ZW2 0.8588
488 DTQ 0.8584
489 2OX 0.8583
490 J3Z 0.8582
491 YJX 0.8580
492 BGC GAL 0.8576
493 EBB 0.8572
494 72G 0.8571
495 OPA 0.8570
496 0XR 0.8569
497 3UG 0.8565
498 K4T 0.8565
499 3RL 0.8562
500 MI2 0.8558
501 RE2 0.8556
502 J2Q 0.8552
503 GNG 0.8550
504 CJZ 0.8548
505 IW4 0.8548
506 2XY 0.8544
507 CL9 0.8543
508 R75 0.8543
509 6WU 0.8539
510 P83 0.8537
511 ICD 0.8537
512 TFX 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6F70; Ligand: GSH; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 6f70.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 6LM1 D10 0.793651
2 6LM1 OCT 0.793651
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