Receptor
PDB id Resolution Class Description Source Keywords
6F6J 2 Å EC: 1.14.11.- CRYSTAL STRUCTURE OF THE FE(II)/ALPHA-KETOGLUTARATE DEPENDEN DIOXYGENASE KDO1 WITH FE(II)/SUCCINATE/(3S)-3-HYDROXY-L-LYS CATENULISPORA ACIDIPHILA (STRAIN DSM 4NRRL B-24433 / NBRC 102108 / JCM 14897) FE(II)/ALPHA-KETOGLUTARATE DIOXYGENASES ENZYME FEII ALPHAOXYDOREDUCTASE OXIDOREDUCTASE
Ref.: STRUCTURAL STUDIES BASED ON TWO LYSINE DIOXYGENASES DISTINCT REGIOSELECTIVITY BRINGS INSIGHTS INTO ENZY SPECIFICITY WITHIN THE CLAVAMINATE SYNTHASE-LIKE FA SCI REP V. 8 16587 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIN B:402;
D:402;
C:402;
A:402;
Valid;
Valid;
Valid;
Valid;
none;
none;
Atoms found MORE than expected: % Diff = 2;
Atoms found MORE than expected: % Diff = 2;
submit data
118.088 C4 H6 O4 C(CC(...
FE B:401;
A:401;
C:401;
D:401;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
CUW B:403;
C:403;
A:403;
D:403;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
162.187 C6 H14 N2 O3 C(C[C...
ACT A:404;
D:404;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6F6J 2 Å EC: 1.14.11.- CRYSTAL STRUCTURE OF THE FE(II)/ALPHA-KETOGLUTARATE DEPENDEN DIOXYGENASE KDO1 WITH FE(II)/SUCCINATE/(3S)-3-HYDROXY-L-LYS CATENULISPORA ACIDIPHILA (STRAIN DSM 4NRRL B-24433 / NBRC 102108 / JCM 14897) FE(II)/ALPHA-KETOGLUTARATE DIOXYGENASES ENZYME FEII ALPHAOXYDOREDUCTASE OXIDOREDUCTASE
Ref.: STRUCTURAL STUDIES BASED ON TWO LYSINE DIOXYGENASES DISTINCT REGIOSELECTIVITY BRINGS INSIGHTS INTO ENZY SPECIFICITY WITHIN THE CLAVAMINATE SYNTHASE-LIKE FA SCI REP V. 8 16587 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 6F2A - LYS C6 H15 N2 O2 C(CC[NH3+]....
2 6F2B - AKG C5 H6 O5 C(CC(=O)O)....
3 6F6J - CUW C6 H14 N2 O3 C(C[C@H]([....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 6F2A - LYS C6 H15 N2 O2 C(CC[NH3+]....
2 6F2B - AKG C5 H6 O5 C(CC(=O)O)....
3 6F6J - CUW C6 H14 N2 O3 C(C[C@H]([....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 6F2A - LYS C6 H15 N2 O2 C(CC[NH3+]....
2 6F2B - AKG C5 H6 O5 C(CC(=O)O)....
3 6F6J - CUW C6 H14 N2 O3 C(C[C@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SIN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN 1 1
2 3OH 0.6 0.65
3 SHF 0.588235 0.684211
4 SLP 0.5625 0.6
5 GUA 0.5625 0.882353
6 0L1 0.5625 0.833333
7 BUA 0.5625 0.611111
8 AKG 0.526316 0.833333
9 2IT 0.5 0.625
10 MLA 0.5 0.722222
11 PML 0.5 0.789474
12 AZ1 0.473684 0.75
13 SSN 0.473684 0.866667
14 OKG 0.454545 0.7
15 TCE 0.45 0.625
16 SHO 0.428571 0.619048
17 9J3 0.416667 0.608696
Ligand no: 2; Ligand: CUW; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 CUW 1 1
2 G3M 0.512195 0.810811
3 ORN 0.470588 0.833333
4 VAH 0.46875 0.71875
5 ZZU 0.45 0.763158
6 MD0 0.405405 0.727273
7 DLY 0.405405 0.806452
Similar Ligands (3D)
Ligand no: 1; Ligand: SIN; Similar ligands found: 876
No: Ligand Similarity coefficient
1 FUM 1.0000
2 GAG 1.0000
3 BEZ 1.0000
4 MAE 1.0000
5 OAA 1.0000
6 H95 1.0000
7 HX2 1.0000
8 NMG 1.0000
9 4MV 0.9980
10 OEG 0.9902
11 ASP 0.9816
12 URP 0.9795
13 MLT 0.9789
14 LEA 0.9761
15 LMR 0.9760
16 DYA 0.9758
17 COI 0.9756
18 OK7 0.9751
19 UGC 0.9747
20 DQY 0.9744
21 CMS 0.9733
22 VKC 0.9731
23 SPA 0.9714
24 ASN 0.9703
25 2RH 0.9700
26 ABU 0.9690
27 TEO 0.9687
28 IOM 0.9677
29 CRN 0.9677
30 GLY GLY 0.9675
31 ITN 0.9673
32 MLI 0.9663
33 98J 0.9641
34 JYD 0.9641
35 DAS 0.9637
36 NXA 0.9629
37 PGA 0.9615
38 0VT 0.9612
39 PG3 0.9608
40 HTX 0.9605
41 DAV 0.9590
42 BUB 0.9589
43 LEU 0.9583
44 HDA 0.9577
45 ALO 0.9575
46 PRO 0.9567
47 GLU 0.9556
48 VAL 0.9553
49 KIV 0.9552
50 TFB 0.9549
51 AKB 0.9549
52 G3P 0.9548
53 6NA 0.9544
54 4JU 0.9541
55 FBJ 0.9541
56 40E 0.9541
57 THR 0.9539
58 JZ5 0.9535
59 IPU 0.9528
60 X1S 0.9525
61 IVA 0.9523
62 THE 0.9520
63 1KA 0.9517
64 A8C 0.9514
65 DMG 0.9511
66 PCA 0.9505
67 1GP 0.9503
68 2MH 0.9500
69 P2D 0.9498
70 HSE 0.9496
71 9X7 0.9489
72 HZP 0.9486
73 PUT 0.9484
74 IQ0 0.9478
75 54D 0.9473
76 AAE 0.9471
77 UYA 0.9467
78 PAC 0.9463
79 ILE 0.9461
80 ETX 0.9458
81 T2C 0.9453
82 3PP 0.9451
83 VAH 0.9444
84 AL0 0.9442
85 MLM 0.9442
86 DAB 0.9440
87 MAK 0.9439
88 GLN 0.9438
89 DXX 0.9437
90 C21 0.9435
91 2RA 0.9433
92 9X6 0.9432
93 PAE 0.9432
94 NCA 0.9430
95 IZC 0.9425
96 9YL 0.9420
97 BMD 0.9417
98 2PC 0.9415
99 HYP 0.9414
100 PRS 0.9413
101 SRT 0.9409
102 GLL 0.9408
103 O8Y 0.9408
104 YIV 0.9408
105 K34 0.9407
106 BEN 0.9406
107 UY7 0.9404
108 DPR 0.9403
109 2KT 0.9401
110 4HA 0.9401
111 273 0.9398
112 3HR 0.9398
113 MUC 0.9397
114 URO 0.9397
115 69O 0.9390
116 49F 0.9389
117 FQI 0.9388
118 TP5 0.9386
119 3HL 0.9384
120 HCS 0.9382
121 DSN 0.9382
122 BML 0.9382
123 282 0.9381
124 NVA 0.9381
125 IHG 0.9381
126 PAH 0.9377
127 3PY 0.9376
128 FPI 0.9376
129 HSO 0.9375
130 NIO 0.9374
131 DGN 0.9373
132 TZC 0.9370
133 S0H 0.9370
134 4CH 0.9368
135 SER 0.9366
136 HSM 0.9364
137 XAP 0.9362
138 16D 0.9362
139 BXO 0.9359
140 SD4 0.9358
141 3SL 0.9357
142 PBC 0.9357
143 TAR 0.9356
144 7WG 0.9355
145 MEQ 0.9355
146 AG2 0.9353
147 ZBT 0.9352
148 BAM 0.9347
149 TLA 0.9344
150 SS2 0.9342
151 A20 0.9342
152 OPE 0.9342
153 DE5 0.9341
154 ISZ 0.9340
155 HE2 0.9339
156 QFH 0.9339
157 CCE 0.9338
158 TB6 0.9337
159 SPV 0.9334
160 CFI 0.9333
161 CIZ 0.9331
162 JBN 0.9328
163 HBA 0.9328
164 PGH 0.9327
165 1DU 0.9326
166 AC0 0.9325
167 AHB 0.9325
168 PG0 0.9324
169 6PC 0.9324
170 CP 0.9322
171 C5J 0.9319
172 FOA 0.9318
173 BHH 0.9317
174 3SS 0.9314
175 GGL 0.9314
176 SMB 0.9314
177 PAF 0.9313
178 SMV 0.9313
179 13P 0.9313
180 7N0 0.9311
181 PE9 0.9311
182 PEP 0.9310
183 192 0.9310
184 7VD 0.9310
185 R2B 0.9310
186 BNS 0.9307
187 PHU 0.9307
188 LTL 0.9307
189 PYC 0.9306
190 EOU 0.9305
191 HIO 0.9304
192 QY9 0.9304
193 ECE 0.9301
194 UNU 0.9300
195 M6W 0.9299
196 2HG 0.9299
197 GG6 0.9299
198 ACH 0.9297
199 ORN 0.9295
200 LNO 0.9294
201 A3B 0.9293
202 AC5 0.9293
203 NTN 0.9293
204 265 0.9293
205 NIZ 0.9292
206 HL5 0.9291
207 ABN 0.9290
208 AML 0.9290
209 9ON 0.9289
210 R67 0.9288
211 ROR 0.9287
212 FBM 0.9286
213 23B 0.9286
214 F9P 0.9284
215 OCT 0.9284
216 7BC 0.9283
217 M4T 0.9283
218 TZL 0.9282
219 NBN 0.9282
220 5XA 0.9281
221 LLQ 0.9278
222 GP9 0.9277
223 URQ 0.9276
224 RSO 0.9276
225 GLY ALA 0.9274
226 WTZ 0.9273
227 IP8 0.9272
228 XBT 0.9272
229 TFS 0.9271
230 M58 0.9270
231 BE7 0.9269
232 BHO 0.9267
233 SKG 0.9267
234 PSE 0.9267
235 ZGL 0.9264
236 BUQ 0.9263
237 ONL 0.9262
238 CYS 0.9262
239 14J 0.9262
240 BP9 0.9262
241 2CO 0.9260
242 RBL 0.9259
243 QSC 0.9258
244 SAT 0.9256
245 PZA 0.9254
246 N6C 0.9253
247 I4B 0.9253
248 MPD 0.9251
249 BAL 0.9249
250 TPA 0.9248
251 DGL 0.9246
252 3S5 0.9246
253 PZI 0.9245
254 EHM 0.9245
255 DE2 0.9244
256 G3H 0.9243
257 FEH 0.9242
258 MTD 0.9240
259 SS1 0.9238
260 DGY 0.9238
261 03W 0.9238
262 LER 0.9237
263 23W 0.9237
264 2IM 0.9236
265 4VP 0.9234
266 ICF 0.9231
267 HYA 0.9230
268 LG4 0.9230
269 1DQ 0.9229
270 HIU 0.9228
271 PPR 0.9226
272 HQE 0.9225
273 URS 0.9223
274 S2G 0.9223
275 NBZ 0.9222
276 SHV 0.9221
277 YCP 0.9216
278 5FX 0.9214
279 2AS 0.9214
280 1SP 0.9214
281 PLQ 0.9214
282 MRZ 0.9213
283 QDK 0.9212
284 FW5 0.9211
285 PKU 0.9209
286 XYL 0.9208
287 RB0 0.9208
288 RB5 0.9208
289 HAI 0.9206
290 1SH 0.9206
291 9TY 0.9205
292 HP6 0.9204
293 129 0.9203
294 MSF 0.9203
295 CXF 0.9203
296 FPY 0.9200
297 GJZ 0.9200
298 IXW 0.9200
299 HBX 0.9197
300 266 0.9195
301 VGL 0.9195
302 MRY 0.9195
303 PEQ 0.9194
304 3V4 0.9193
305 AMC 0.9193
306 PPV 0.9192
307 1PT 0.9192
308 DSS 0.9190
309 I1E 0.9189
310 HIS 0.9189
311 3BB 0.9188
312 1AC 0.9188
313 XUL 0.9187
314 1SA 0.9186
315 PCR 0.9186
316 NBE 0.9186
317 PCT 0.9184
318 OGA 0.9182
319 DBB 0.9182
320 MZ0 0.9182
321 C2N 0.9179
322 C2B 0.9179
323 ABA 0.9178
324 IDM 0.9177
325 HUI 0.9177
326 R9M 0.9176
327 DCY 0.9176
328 PXY 0.9176
329 0V5 0.9175
330 CYX 0.9175
331 KMH 0.9173
332 4JL 0.9172
333 FLA 0.9170
334 SYN 0.9169
335 PYJ 0.9168
336 JAB 0.9166
337 AC6 0.9162
338 FPN 0.9161
339 8EW 0.9160
340 XLS 0.9160
341 FBA 0.9160
342 CXL 0.9158
343 PY7 0.9158
344 3OL 0.9157
345 3OM 0.9157
346 4LR 0.9156
347 XRG 0.9155
348 NPO 0.9151
349 JZ7 0.9151
350 B24 0.9149
351 HY1 0.9148
352 DA1 0.9146
353 TAU 0.9145
354 DTL 0.9142
355 APY 0.9141
356 7A8 0.9141
357 HVQ 0.9140
358 4HS 0.9139
359 RNS 0.9137
360 FSG 0.9137
361 6JN 0.9134
362 CEJ 0.9134
363 CSS 0.9131
364 PIS 0.9129
365 FAN 0.9129
366 FCN 0.9129
367 TIU 0.9128
368 GZ3 0.9128
369 URF 0.9127
370 PHB 0.9127
371 1DV 0.9125
372 DMV 0.9124
373 MZW 0.9124
374 SNE 0.9123
375 LDU 0.9122
376 PEA 0.9121
377 DCL 0.9121
378 25R 0.9120
379 ITU 0.9119
380 PPF 0.9119
381 PRI 0.9118
382 KG7 0.9116
383 39J 0.9116
384 NLE 0.9116
385 3HG 0.9113
386 CHT 0.9113
387 7CL 0.9111
388 1MR 0.9108
389 PEL 0.9106
390 EDG 0.9106
391 XM0 0.9103
392 5BR 0.9103
393 3OC 0.9101
394 PAB 0.9099
395 CYH 0.9099
396 R1X 0.9098
397 AOA 0.9096
398 IT2 0.9096
399 271 0.9095
400 SGL 0.9092
401 280 0.9092
402 GBD 0.9091
403 HBD 0.9091
404 3HB 0.9089
405 HY3 0.9088
406 WBU 0.9088
407 OXQ 0.9084
408 POA 0.9083
409 60P 0.9083
410 GPJ 0.9083
411 GPF 0.9083
412 RNT 0.9080
413 GAB 0.9080
414 SEP 0.9080
415 COM 0.9079
416 P72 0.9079
417 MET 0.9075
418 ACA 0.9074
419 OHG 0.9072
420 BU4 0.9070
421 FMS 0.9070
422 8X3 0.9070
423 KMT 0.9067
424 MED 0.9067
425 KVV 0.9059
426 TZE 0.9059
427 WCE 0.9055
428 MEU 0.9054
429 1Y6 0.9053
430 4JN 0.9053
431 KPL 0.9052
432 FB2 0.9050
433 BTL 0.9050
434 JAE 0.9050
435 PMB 0.9048
436 J9N 0.9047
437 M3H 0.9046
438 J1Z 0.9046
439 MTG 0.9044
440 8K2 0.9040
441 4CS 0.9039
442 I2M 0.9038
443 3NT 0.9038
444 IMR 0.9037
445 XPO 0.9037
446 3AB 0.9037
447 PLU 0.9036
448 CHH 0.9035
449 5HN 0.9035
450 ODV 0.9035
451 BZX 0.9033
452 25T 0.9033
453 3LR 0.9033
454 A2Q 0.9032
455 NM2 0.9029
456 NM3 0.9029
457 POP 0.9028
458 V1L 0.9027
459 NVI 0.9026
460 PYF 0.9026
461 8GC 0.9024
462 PBZ 0.9024
463 826 0.9023
464 53C 0.9023
465 4SD 0.9018
466 ISU 0.9018
467 IPH 0.9017
468 CCU 0.9015
469 OVV 0.9015
470 J9T 0.9010
471 HV2 0.9010
472 DTU 0.9007
473 P7I 0.9006
474 ABV 0.9006
475 PIY 0.9006
476 9SB 0.9004
477 9RW 0.9002
478 SAR 0.9002
479 CCD 0.9001
480 BHL 0.8999
481 NF3 0.8996
482 5AC 0.8994
483 DPF 0.8993
484 M45 0.8993
485 4MA 0.8993
486 BVG 0.8992
487 SMN 0.8992
488 CEE 0.8992
489 FOC 0.8992
490 MXN 0.8991
491 EFS 0.8991
492 ICC 0.8988
493 1AB 0.8988
494 K7M 0.8988
495 GOJ 0.8988
496 14O 0.8987
497 F60 0.8986
498 4XR 0.8985
499 2HA 0.8985
500 JZ9 0.8984
501 2HE 0.8983
502 2EH 0.8980
503 650 0.8979
504 PIM 0.8978
505 SC2 0.8977
506 5H1 0.8975
507 3BZ 0.8973
508 IOL 0.8971
509 MNN 0.8971
510 0CT 0.8970
511 BZF 0.8969
512 2K4 0.8967
513 PZM 0.8967
514 HMH 0.8966
515 2FT 0.8966
516 BVC 0.8962
517 6AI 0.8962
518 PC 0.8961
519 2PN 0.8959
520 ETM 0.8959
521 9CL 0.8958
522 1MC 0.8958
523 HPN 0.8957
524 SW7 0.8957
525 BZI 0.8957
526 URA 0.8957
527 RMN 0.8956
528 4P5 0.8956
529 FJO 0.8955
530 EGD 0.8949
531 Z82 0.8946
532 1P3 0.8945
533 DEN 0.8945
534 5MI 0.8943
535 HDH 0.8943
536 BRT 0.8942
537 1DH 0.8942
538 FUL 0.8942
539 DYT 0.8941
540 4SV 0.8939
541 IDH 0.8938
542 1DJ 0.8938
543 K6H 0.8937
544 LXC 0.8937
545 6M4 0.8932
546 RSF 0.8932
547 IND 0.8932
548 LZ1 0.8929
549 ARB 0.8927
550 XYP 0.8926
551 H8N 0.8925
552 JFJ 0.8923
553 O7U 0.8923
554 717 0.8921
555 3GR 0.8921
556 KOJ 0.8920
557 FCR 0.8919
558 N4B 0.8919
559 SAL 0.8919
560 5MB 0.8918
561 4HO 0.8918
562 51F 0.8916
563 7MU 0.8916
564 174 0.8916
565 BAE 0.8915
566 0MK 0.8914
567 GOL 0.8911
568 2EZ 0.8910
569 XYS 0.8910
570 24B 0.8909
571 4JP 0.8909
572 3U4 0.8909
573 HPV 0.8909
574 45L 0.8904
575 NMJ 0.8904
576 HPY 0.8904
577 069 0.8902
578 TH7 0.8901
579 MCT 0.8893
580 IP0 0.8892
581 GRO 0.8891
582 258 0.8890
583 BE2 0.8890
584 PMF 0.8889
585 S8V 0.8889
586 BNF 0.8888
587 TH0 0.8888
588 TDR 0.8887
589 0R1 0.8887
590 HHI 0.8887
591 RTK 0.8887
592 DHI 0.8887
593 2MI 0.8886
594 MDN 0.8885
595 SAN 0.8884
596 AX7 0.8883
597 HPS 0.8883
598 3PG 0.8883
599 3SK 0.8881
600 3QM 0.8880
601 DS0 0.8879
602 G2H 0.8878
603 RIP 0.8878
604 2TQ 0.8877
605 4JM 0.8877
606 AT3 0.8876
607 2CK 0.8875
608 IFM 0.8875
609 270 0.8872
610 GVH 0.8872
611 CRS 0.8870
612 4ZA 0.8868
613 PBE 0.8867
614 ZZT 0.8867
615 MPI 0.8866
616 OTR 0.8865
617 4WL 0.8864
618 PRA 0.8864
619 RUU 0.8863
620 HYN 0.8860
621 11S 0.8859
622 HGQ 0.8859
623 4JT 0.8857
624 NK 0.8857
625 8EZ 0.8856
626 SME 0.8856
627 OEM 0.8854
628 XBZ 0.8853
629 93B 0.8852
630 ALA ALA 0.8851
631 MWM 0.8849
632 PO6 0.8849
633 HGA 0.8846
634 GXV 0.8846
635 DHS 0.8845
636 FYU 0.8844
637 173 0.8843
638 ES6 0.8842
639 KVP 0.8841
640 TSU 0.8837
641 VX 0.8837
642 DMJ 0.8836
643 40O 0.8836
644 IFL 0.8835
645 B40 0.8835
646 3YP 0.8833
647 DFU 0.8832
648 MYQ 0.8832
649 4ZE 0.8829
650 NPY 0.8827
651 KTA 0.8826
652 8GL 0.8825
653 TMH 0.8823
654 JKE 0.8822
655 3ID 0.8820
656 DAL DAL 0.8818
657 ES9 0.8818
658 BBU 0.8817
659 284 0.8816
660 J0Z 0.8815
661 FK8 0.8815
662 TIH 0.8813
663 DHB 0.8813
664 275 0.8813
665 VNJ 0.8813
666 MNM 0.8812
667 7WV 0.8810
668 JB5 0.8809
669 7EX 0.8809
670 FBW 0.8806
671 MZG 0.8805
672 HT4 0.8805
673 1WD 0.8805
674 449 0.8805
675 FBS 0.8805
676 2YU 0.8804
677 L60 0.8804
678 FUC 0.8803
679 264 0.8803
680 OSE 0.8803
681 8OZ 0.8802
682 MLE 0.8802
683 Z6J 0.8802
684 03V 0.8801
685 4A3 0.8801
686 QMP 0.8801
687 26D 0.8800
688 2AC 0.8798
689 JZ3 0.8798
690 COU 0.8797
691 H4N 0.8796
692 0OC 0.8796
693 YRL 0.8795
694 CNL 0.8795
695 DIR 0.8794
696 SYC 0.8794
697 0R0 0.8793
698 2AQ 0.8792
699 NCT 0.8792
700 INO 0.8790
701 FK1 0.8790
702 OCH 0.8788
703 QUZ 0.8788
704 8H8 0.8788
705 RBJ 0.8786
706 GXE 0.8784
707 HMU 0.8784
708 4NC 0.8784
709 F05 0.8783
710 AAS 0.8782
711 RP7 0.8782
712 AZF 0.8781
713 TAY 0.8781
714 5JC 0.8780
715 FAC 0.8779
716 ICN 0.8778
717 2MP 0.8778
718 NNO 0.8777
719 TM7 0.8777
720 4J8 0.8776
721 XYD 0.8774
722 DMD 0.8771
723 ARA 0.8770
724 5UC 0.8769
725 OXZ 0.8768
726 MBN 0.8767
727 4FA 0.8767
728 34A 0.8766
729 QOS 0.8765
730 A1U 0.8765
731 AGK 0.8764
732 XIX 0.8764
733 9TW 0.8764
734 51R 0.8764
735 LYS 0.8764
736 ES5 0.8763
737 6M9 0.8762
738 ABE 0.8761
739 CRD 0.8760
740 K2T 0.8760
741 B85 0.8760
742 L3Q 0.8759
743 P9P 0.8758
744 TYL 0.8756
745 FHB 0.8755
746 NSP 0.8755
747 64K 0.8754
748 24T 0.8753
749 152 0.8751
750 9A7 0.8751
751 3AP 0.8749
752 TMZ 0.8749
753 ICP 0.8748
754 PYD 0.8748
755 93K 0.8746
756 P92 0.8745
757 5MH 0.8745
758 3HM 0.8743
759 HCI 0.8743
760 XX2 0.8742
761 DUC 0.8741
762 AHR 0.8739
763 MWJ 0.8737
764 4CL 0.8736
765 2AL 0.8733
766 4JJ 0.8733
767 278 0.8733
768 2PG 0.8733
769 AEF 0.8732
770 WOT 0.8730
771 4FS 0.8728
772 43M 0.8728
773 286 0.8727
774 MSE 0.8727
775 5XB 0.8727
776 2HO 0.8726
777 A09 0.8724
778 JZ1 0.8724
779 4AP 0.8724
780 NCM 0.8723
781 JLZ 0.8723
782 RUJ 0.8722
783 3AL 0.8722
784 4HP 0.8722
785 2AP 0.8720
786 GVG 0.8720
787 RCO 0.8720
788 SYG 0.8719
789 OHP 0.8716
790 MMU 0.8713
791 RIB 0.8711
792 QSB 0.8711
793 JZ2 0.8711
794 H42 0.8711
795 MYJ 0.8710
796 8NY 0.8710
797 5HY 0.8708
798 SOR 0.8707
799 HRZ 0.8705
800 ET2 0.8704
801 H3M 0.8702
802 3HP 0.8700
803 261 0.8700
804 FA0 0.8700
805 R9S 0.8697
806 3CL 0.8697
807 CHB 0.8696
808 IHB 0.8695
809 DOB 0.8691
810 9PO 0.8691
811 BR9 0.8688
812 13D 0.8688
813 27Y 0.8687
814 BHA 0.8686
815 HQJ 0.8685
816 IWT 0.8683
817 HVK 0.8682
818 5OB 0.8680
819 285 0.8680
820 RUY 0.8678
821 GIF 0.8675
822 DAL 0.8675
823 RHU 0.8675
824 HX3 0.8671
825 L5V 0.8670
826 3Q7 0.8668
827 TLD 0.8667
828 FUF 0.8667
829 4M0 0.8667
830 MAH 0.8664
831 3CH 0.8657
832 LG3 0.8656
833 5CU 0.8655
834 4XX 0.8654
835 CYT 0.8651
836 C2A 0.8651
837 IUR 0.8650
838 8CL 0.8646
839 YHO 0.8646
840 R8A 0.8637
841 BZ3 0.8636
842 D2P 0.8635
843 RAT 0.8631
844 6TZ 0.8629
845 4JO 0.8626
846 DGJ 0.8624
847 5XC 0.8621
848 FBV 0.8620
849 HC4 0.8619
850 Y8I 0.8619
851 4DX 0.8618
852 TMT 0.8615
853 KYD 0.8609
854 E5X 0.8604
855 FB1 0.8603
856 1P8 0.8603
857 LGA 0.8600
858 3HA 0.8599
859 1LN 0.8597
860 PHE 0.8591
861 DBH 0.8589
862 OXL 0.8584
863 TTO 0.8582
864 ANN 0.8582
865 PYR 0.8579
866 2LP 0.8576
867 HX4 0.8572
868 0TR 0.8568
869 L99 0.8561
870 9EW 0.8549
871 JZ4 0.8547
872 NOY 0.8541
873 36Y 0.8540
874 3PF 0.8539
875 ETF 0.8533
876 G4D 0.8507
Ligand no: 2; Ligand: CUW; Similar ligands found: 362
No: Ligand Similarity coefficient
1 LYS 0.9690
2 LYN 0.9643
3 7C3 0.9471
4 OGA 0.9465
5 SSB 0.9406
6 SKJ 0.9405
7 GLU 0.9403
8 AKG 0.9368
9 GLN 0.9323
10 MLZ 0.9311
11 4TP 0.9297
12 MET 0.9292
13 HOC 0.9289
14 DXP 0.9275
15 OCA 0.9265
16 OOG 0.9256
17 BNF 0.9252
18 REL 0.9243
19 ONH 0.9240
20 9ON 0.9232
21 B40 0.9231
22 011 0.9223
23 9YT 0.9220
24 2IT 0.9206
25 MSE 0.9197
26 8SZ 0.9196
27 JB8 0.9190
28 EXY 0.9180
29 7OD 0.9175
30 S2G 0.9174
31 NLP 0.9173
32 SOR 0.9169
33 FIX 0.9169
34 KMT 0.9158
35 NWH 0.9158
36 TSS 0.9156
37 DIR 0.9153
38 NYL 0.9149
39 UN1 0.9142
40 SLZ 0.9142
41 KQY 0.9142
42 TYL 0.9140
43 X1R 0.9135
44 FUD 0.9131
45 NNH 0.9121
46 XYL 0.9120
47 B3M 0.9116
48 CLT 0.9113
49 KNA 0.9113
50 DKA 0.9113
51 ONL 0.9113
52 5XA 0.9108
53 IAR 0.9100
54 3OL 0.9098
55 N6C 0.9096
56 ARG 0.9093
57 DAR 0.9093
58 TCA 0.9089
59 IXW 0.9088
60 PBN 0.9086
61 1L5 0.9085
62 JDN 0.9084
63 258 0.9080
64 5XB 0.9078
65 HPN 0.9074
66 N4B 0.9072
67 YPN 0.9069
68 NLE 0.9068
69 AG2 0.9063
70 BHH 0.9056
71 DGL 0.9056
72 2BX 0.9056
73 5XC 0.9055
74 GOJ 0.9053
75 XYH 0.9044
76 268 0.9044
77 MED 0.9041
78 61M 0.9033
79 ESX 0.9033
80 HL5 0.9030
81 LFC 0.9028
82 PO6 0.9028
83 MEV 0.9027
84 PNZ 0.9026
85 BHU 0.9024
86 LDP 0.9024
87 HGA 0.9024
88 HC4 0.9023
89 GGB 0.9020
90 RB5 0.9017
91 SDD 0.9016
92 XLS 0.9015
93 GLO 0.9015
94 DEZ 0.9015
95 PBA 0.9014
96 HSO 0.9013
97 NPI 0.9013
98 PRA 0.9012
99 HCI 0.9011
100 BZ3 0.9010
101 5SP 0.9009
102 DHH 0.9007
103 ANN 0.9004
104 S8V 0.9003
105 MR1 0.9002
106 RNO 0.9001
107 SOL 0.8995
108 XIZ 0.8993
109 GLY GLY GLY 0.8993
110 41K 0.8992
111 ACA 0.8988
112 MTL 0.8985
113 CXP 0.8985
114 DZA 0.8983
115 HDL 0.8977
116 F4E 0.8977
117 DE5 0.8977
118 SPD 0.8975
119 4TB 0.8975
120 HIS 0.8974
121 KMH 0.8970
122 SNO 0.8970
123 PHE 0.8966
124 RAT 0.8965
125 4FA 0.8964
126 PML 0.8964
127 I38 0.8958
128 AEF 0.8957
129 AHN 0.8956
130 PPY 0.8956
131 HYA 0.8954
132 J6W 0.8954
133 XUL 0.8953
134 Q07 0.8952
135 HX4 0.8952
136 NIZ 0.8951
137 49F 0.8951
138 6XA 0.8950
139 AMH 0.8944
140 3HG 0.8942
141 DHC 0.8940
142 2BG 0.8939
143 1M2 0.8939
144 PH3 0.8938
145 56D 0.8935
146 ISZ 0.8935
147 9J3 0.8933
148 MLY 0.8928
149 HL4 0.8925
150 MEQ 0.8917
151 263 0.8915
152 P81 0.8914
153 TAG 0.8914
154 YRL 0.8914
155 P7Y 0.8911
156 LNR 0.8909
157 NTU 0.8908
158 KDG 0.8904
159 PSJ 0.8904
160 PRO GLY 0.8903
161 GO2 0.8903
162 TSR 0.8901
163 ILO 0.8899
164 AH8 0.8898
165 SME 0.8898
166 NMH 0.8896
167 N7I 0.8894
168 MPH 0.8894
169 CIR 0.8892
170 TAR 0.8891
171 152 0.8891
172 HPP 0.8886
173 7BC 0.8884
174 7UC 0.8884
175 2CO 0.8882
176 GVA 0.8880
177 A7N 0.8880
178 6HN 0.8879
179 13P 0.8879
180 LUQ 0.8875
181 3H2 0.8874
182 PGH 0.8870
183 K6V 0.8869
184 3YP 0.8865
185 8ZE 0.8862
186 N9J 0.8861
187 OHJ 0.8860
188 259 0.8860
189 OTR 0.8858
190 9SE 0.8857
191 P23 0.8856
192 FOC 0.8854
193 5FX 0.8852
194 SD4 0.8851
195 2OR 0.8850
196 AE3 0.8850
197 LT1 0.8850
198 GCO 0.8848
199 36M 0.8848
200 MZT 0.8848
201 4NM 0.8847
202 1CO 0.8847
203 MHO 0.8845
204 EYV 0.8841
205 650 0.8839
206 5LA 0.8838
207 TYE 0.8837
208 B3U 0.8836
209 HDH 0.8836
210 2FT 0.8835
211 GGL 0.8833
212 0L1 0.8833
213 RBL 0.8833
214 HPO 0.8832
215 CS2 0.8831
216 ROR 0.8829
217 QDK 0.8829
218 MAH 0.8827
219 0CG 0.8826
220 EHM 0.8824
221 MVH 0.8823
222 SHV 0.8816
223 1A7 0.8816
224 PJL 0.8815
225 KPA 0.8815
226 S0W 0.8814
227 2FM 0.8813
228 FK8 0.8812
229 O45 0.8812
230 3BU 0.8809
231 TYR 0.8809
232 ALE 0.8807
233 264 0.8804
234 DEE 0.8803
235 PG0 0.8803
236 MHN 0.8801
237 11C 0.8798
238 M74 0.8797
239 7VP 0.8797
240 DVQ 0.8796
241 94W 0.8795
242 HFA 0.8795
243 LGT 0.8794
244 DER 0.8794
245 AEH 0.8793
246 DLT 0.8792
247 E5X 0.8788
248 CXF 0.8787
249 BPW 0.8785
250 3S5 0.8784
251 8GL 0.8783
252 3QM 0.8783
253 4BZ 0.8781
254 Q9Z 0.8780
255 AL0 0.8780
256 DGN 0.8780
257 E1P 0.8776
258 PPT 0.8774
259 OCT 0.8771
260 PEA 0.8770
261 MD6 0.8769
262 6JN 0.8768
263 58X 0.8762
264 9J6 0.8762
265 DXG 0.8762
266 F98 0.8762
267 N2I 0.8761
268 DMO 0.8755
269 AHC 0.8755
270 8EW 0.8755
271 NSD 0.8754
272 Q06 0.8754
273 S7G 0.8750
274 AES 0.8748
275 NFM 0.8746
276 AJ3 0.8739
277 Z82 0.8733
278 RNS 0.8732
279 E4P 0.8730
280 L14 0.8729
281 GLR 0.8729
282 LPK 0.8726
283 LY0 0.8725
284 FEH 0.8723
285 RES 0.8722
286 I3E 0.8722
287 SSC 0.8721
288 ENV 0.8717
289 URQ 0.8717
290 1H1 0.8716
291 KDV 0.8712
292 BCU 0.8710
293 HIC 0.8709
294 16D 0.8707
295 GVM 0.8705
296 A5P 0.8705
297 FAN 0.8704
298 DII 0.8703
299 LLH 0.8702
300 LQ2 0.8701
301 EN1 0.8699
302 ENW 0.8699
303 PFF 0.8698
304 AOS 0.8697
305 KPC 0.8696
306 F9Y 0.8695
307 3MF 0.8694
308 IVL 0.8693
309 GAE 0.8693
310 DHM 0.8692
311 5OY 0.8691
312 M45 0.8691
313 E79 0.8688
314 EGV 0.8685
315 AEG 0.8684
316 DTY 0.8684
317 BPN 0.8679
318 MPJ 0.8677
319 DHR 0.8675
320 R5P 0.8674
321 5WZ 0.8669
322 FOM 0.8666
323 64Z 0.8665
324 6NA 0.8664
325 HTX 0.8662
326 A7H 0.8660
327 KDF 0.8659
328 2EH 0.8658
329 I1E 0.8654
330 DED 0.8653
331 MF3 0.8653
332 GRQ 0.8651
333 AAN 0.8650
334 DPF 0.8650
335 CCB 0.8649
336 H4E 0.8649
337 6Q3 0.8648
338 ARP 0.8642
339 AOR 0.8636
340 4VY 0.8634
341 XDE 0.8634
342 RBJ 0.8625
343 VKC 0.8624
344 5RP 0.8621
345 PZM 0.8616
346 AHL 0.8616
347 QBM 0.8616
348 W81 0.8612
349 XQB 0.8610
350 4NB 0.8601
351 RNT 0.8596
352 KMY 0.8595
353 6ZX 0.8583
354 92G 0.8581
355 J0Z 0.8579
356 795 0.8573
357 JQ5 0.8554
358 R52 0.8553
359 DAV 0.8552
360 RA7 0.8548
361 HNE 0.8529
362 PA5 0.8529
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6F6J; Ligand: CUW; Similar sites found with APoc: 9
This union binding pocket(no: 1) in the query (biounit: 6f6j.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2WBQ ZZU 37.1508
2 1DRY AKG 39.5062
3 1DRY AAG 39.5062
4 4M26 SIN 41.2088
5 4M26 ZZU 41.2088
6 4M26 ZZU 41.2088
7 4M26 SIN 41.2088
8 4M26 AKG 41.2088
9 4M26 AKG 41.2088
Pocket No.: 2; Query (leader) PDB : 6F6J; Ligand: SIN; Similar sites found with APoc: 9
This union binding pocket(no: 2) in the query (biounit: 6f6j.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2WBQ ZZU 37.1508
2 1DRY AAG 39.5062
3 1DRY AKG 39.5062
4 4M26 SIN 41.2088
5 4M26 ZZU 41.2088
6 4M26 AKG 41.2088
7 4M26 SIN 41.2088
8 4M26 ZZU 41.2088
9 4M26 AKG 41.2088
Pocket No.: 3; Query (leader) PDB : 6F6J; Ligand: SIN; Similar sites found with APoc: 11
This union binding pocket(no: 3) in the query (biounit: 6f6j.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1NX4 AKG 6.22711
2 1NX4 AKG 6.22711
3 2WBQ ZZU 37.1508
4 1DRY AAG 39.5062
5 1DRY AKG 39.5062
6 4M26 ZZU 41.2088
7 4M26 SIN 41.2088
8 4M26 ZZU 41.2088
9 4M26 SIN 41.2088
10 4M26 AKG 41.2088
11 4M26 AKG 41.2088
Pocket No.: 4; Query (leader) PDB : 6F6J; Ligand: CUW; Similar sites found with APoc: 11
This union binding pocket(no: 4) in the query (biounit: 6f6j.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1NX4 AKG 6.22711
2 1NX4 AKG 6.22711
3 2WBQ ZZU 37.1508
4 1DRY AAG 39.5062
5 1DRY AKG 39.5062
6 4M26 ZZU 41.2088
7 4M26 SIN 41.2088
8 4M26 ZZU 41.2088
9 4M26 SIN 41.2088
10 4M26 AKG 41.2088
11 4M26 AKG 41.2088
Pocket No.: 5; Query (leader) PDB : 6F6J; Ligand: SIN; Similar sites found with APoc: 13
This union binding pocket(no: 5) in the query (biounit: 6f6j.bio4) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1NX4 AKG 6.22711
2 1NX4 AKG 6.22711
3 1NX4 AKG 6.22711
4 2WBQ ZZU 37.1508
5 1DRY AKG 39.5062
6 1DRY AAG 39.5062
7 4M26 SIN 41.2088
8 4M26 ZZU 41.2088
9 4M26 ZZU 41.2088
10 4M26 SIN 41.2088
11 4M26 AKG 41.2088
12 4M26 AKG 41.2088
13 2OG7 SIN 44.1341
Pocket No.: 6; Query (leader) PDB : 6F6J; Ligand: CUW; Similar sites found with APoc: 13
This union binding pocket(no: 6) in the query (biounit: 6f6j.bio4) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1NX4 AKG 6.22711
2 1NX4 AKG 6.22711
3 1NX4 AKG 6.22711
4 2WBQ ZZU 37.1508
5 1DRY AKG 39.5062
6 1DRY AAG 39.5062
7 4M26 SIN 41.2088
8 4M26 ZZU 41.2088
9 4M26 ZZU 41.2088
10 4M26 SIN 41.2088
11 4M26 AKG 41.2088
12 4M26 AKG 41.2088
13 2OG7 SIN 44.1341
Pocket No.: 7; Query (leader) PDB : 6F6J; Ligand: SIN; Similar sites found with APoc: 14
This union binding pocket(no: 7) in the query (biounit: 6f6j.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4OJ8 AKG 6.14334
2 1NX4 AKG 6.22711
3 1NX4 AKG 6.22711
4 1NX4 AKG 6.22711
5 2WBQ ZZU 37.1508
6 1DRY AKG 39.5062
7 1DRY AAG 39.5062
8 4M26 ZZU 41.2088
9 4M26 SIN 41.2088
10 4M26 SIN 41.2088
11 4M26 ZZU 41.2088
12 4M26 AKG 41.2088
13 4M26 AKG 41.2088
14 2OG7 SIN 44.1341
Pocket No.: 8; Query (leader) PDB : 6F6J; Ligand: CUW; Similar sites found with APoc: 8
This union binding pocket(no: 8) in the query (biounit: 6f6j.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1DRY AKG 39.5062
2 1DRY AAG 39.5062
3 4M26 SIN 41.2088
4 4M26 ZZU 41.2088
5 4M26 SIN 41.2088
6 4M26 ZZU 41.2088
7 4M26 AKG 41.2088
8 2OG7 SIN 44.1341
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