Receptor
PDB id Resolution Class Description Source Keywords
5NCJ 1.53 Å EC: 7.-.-.- GRIE IN COMPLEX WITH MANGANESE, SUCCINATE AND (2S,4R)-5-HYDR STREPTOMYCES SP. DSM 40835 FE(II)/ALPHA-KETOGLUTARATE DEPENDENT DIOXYGENASE HYDROXYLASHEME IRON PROTEIN LEUCINE HYDROXYLASE 5-HYDROXYLEUCINE (HYDROXYLEUCINE 4-METHYL-PROLINE GRISELIMYCIN METHYL-GRISOXIDOREDUCTASE
Ref.: BIOSYNTHESIS OF METHYL-PROLINE CONTAINING GRISELIMY NATURAL PRODUCTS WITH ANTI-TUBERCULOSIS ACTIVITY. CHEM SCI V. 8 7521 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIN A:302;
B:302;
Valid;
Valid;
none;
none;
submit data
118.088 C4 H6 O4 C(CC(...
HL5 B:303;
A:303;
Valid;
Valid;
none;
none;
submit data
147.172 C6 H13 N O3 C[C@H...
MN B:301;
A:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5NCJ 1.53 Å EC: 7.-.-.- GRIE IN COMPLEX WITH MANGANESE, SUCCINATE AND (2S,4R)-5-HYDR STREPTOMYCES SP. DSM 40835 FE(II)/ALPHA-KETOGLUTARATE DEPENDENT DIOXYGENASE HYDROXYLASHEME IRON PROTEIN LEUCINE HYDROXYLASE 5-HYDROXYLEUCINE (HYDROXYLEUCINE 4-METHYL-PROLINE GRISELIMYCIN METHYL-GRISOXIDOREDUCTASE
Ref.: BIOSYNTHESIS OF METHYL-PROLINE CONTAINING GRISELIMY NATURAL PRODUCTS WITH ANTI-TUBERCULOSIS ACTIVITY. CHEM SCI V. 8 7521 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5NCJ - HL5 C6 H13 N O3 C[C@H](C[C....
2 5NCI - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 5NCJ - HL5 C6 H13 N O3 C[C@H](C[C....
2 5NCI - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 5NCJ - HL5 C6 H13 N O3 C[C@H](C[C....
2 5NCI - AKG C5 H6 O5 C(CC(=O)O)....
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: HL5; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 HL5 1 1
2 LEU 0.551724 0.740741
3 SER 0.518519 0.814815
4 DSN 0.518519 0.814815
5 DBB 0.464286 0.730769
6 ABA 0.464286 0.730769
7 CYS 0.448276 0.740741
8 C2N 0.448276 0.703704
9 DCY 0.448276 0.740741
10 HSE 0.419355 0.793103
11 2RA 0.413793 0.666667
12 ALA 0.407407 0.6
13 DAL 0.407407 0.6
14 HCS 0.40625 0.75
15 NVA 0.40625 0.777778
16 AS2 0.40625 0.678571
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: HL5; Similar ligands found: 520
No: Ligand Similarity coefficient
1 AL0 0.9781
2 ORN 0.9772
3 SPV 0.9688
4 ASN 0.9685
5 SD4 0.9668
6 ASP 0.9653
7 CRN 0.9633
8 LMR 0.9622
9 AKG 0.9592
10 OGA 0.9585
11 OAA 0.9556
12 NIZ 0.9554
13 COI 0.9550
14 ISZ 0.9536
15 SYM 0.9529
16 CFI 0.9528
17 MLT 0.9501
18 PEP 0.9498
19 XRG 0.9498
20 MET 0.9482
21 BHO 0.9478
22 PPR 0.9476
23 3SL 0.9473
24 GLU 0.9472
25 UGC 0.9469
26 F9P 0.9462
27 ILE 0.9444
28 MED 0.9428
29 THE 0.9420
30 S2G 0.9408
31 GLN 0.9407
32 HSO 0.9401
33 FBM 0.9401
34 ACH 0.9394
35 DGL 0.9389
36 TIH 0.9383
37 GJZ 0.9383
38 GLY ALA 0.9380
39 FEH 0.9379
40 2HG 0.9373
41 SRT 0.9371
42 FBJ 0.9369
43 40E 0.9366
44 ALA ALA 0.9362
45 TEO 0.9361
46 MNN 0.9351
47 SKG 0.9350
48 I1E 0.9347
49 PGA 0.9342
50 0V5 0.9342
51 MXN 0.9341
52 DAS 0.9334
53 ONL 0.9332
54 1DJ 0.9321
55 173 0.9320
56 FOC 0.9313
57 98J 0.9307
58 R67 0.9302
59 K6V 0.9301
60 RB5 0.9301
61 XYL 0.9301
62 7BC 0.9298
63 BHH 0.9296
64 9ON 0.9295
65 I38 0.9292
66 SIN 0.9291
67 DYA 0.9291
68 GGL 0.9290
69 GOJ 0.9287
70 AC6 0.9287
71 IOM 0.9286
72 FUM 0.9285
73 BEZ 0.9284
74 GUA 0.9282
75 JYD 0.9281
76 XLS 0.9279
77 OKG 0.9279
78 LYS 0.9277
79 DAL DAL 0.9277
80 2IT 0.9275
81 J9N 0.9272
82 2PG 0.9270
83 4MV 0.9270
84 TZL 0.9264
85 DE5 0.9261
86 TAR 0.9258
87 2CO 0.9255
88 3LR 0.9254
89 LPK 0.9251
90 13P 0.9248
91 FA1 0.9241
92 54D 0.9239
93 NPO 0.9239
94 HIS 0.9236
95 BNF 0.9235
96 8OZ 0.9232
97 SKJ 0.9232
98 MSE 0.9228
99 PEQ 0.9228
100 BEN 0.9217
101 HY1 0.9216
102 NLE 0.9212
103 9X7 0.9212
104 PBC 0.9209
105 FB2 0.9209
106 ZBT 0.9208
107 DLY 0.9208
108 GZ3 0.9206
109 PMB 0.9201
110 PZI 0.9195
111 VAH 0.9194
112 HIO 0.9190
113 IZC 0.9189
114 SOL 0.9188
115 K34 0.9187
116 LNO 0.9186
117 CEE 0.9185
118 AHB 0.9184
119 PEA 0.9184
120 XSP 0.9183
121 SOR 0.9183
122 CMS 0.9183
123 HGA 0.9183
124 KMT 0.9181
125 AG2 0.9181
126 7C3 0.9173
127 RBL 0.9172
128 BNS 0.9172
129 SME 0.9172
130 XUL 0.9171
131 XBT 0.9169
132 1SA 0.9168
133 ASC 0.9165
134 SHA 0.9163
135 TLA 0.9162
136 G3P 0.9161
137 OEG 0.9158
138 CXF 0.9157
139 DHB 0.9155
140 2AS 0.9155
141 GLY CYS 0.9154
142 BAM 0.9154
143 OTR 0.9153
144 HDH 0.9152
145 SS2 0.9152
146 GLY GLY 0.9151
147 SMN 0.9149
148 6JN 0.9145
149 7MU 0.9143
150 6PC 0.9143
151 4CS 0.9141
152 3BU 0.9140
153 TPA 0.9139
154 URP 0.9138
155 3OC 0.9138
156 KOJ 0.9138
157 PHU 0.9137
158 PSE 0.9136
159 53C 0.9132
160 DGN 0.9131
161 069 0.9130
162 2RH 0.9128
163 URQ 0.9125
164 HDA 0.9122
165 HPV 0.9122
166 1GP 0.9121
167 6NA 0.9121
168 5FX 0.9119
169 OEM 0.9118
170 RSO 0.9117
171 PLU 0.9115
172 G3H 0.9113
173 PAC 0.9112
174 RAT 0.9111
175 DQY 0.9109
176 RBJ 0.9108
177 3PG 0.9106
178 NMG 0.9106
179 M4T 0.9106
180 PZA 0.9105
181 ITN 0.9104
182 LYN 0.9102
183 GP9 0.9102
184 DAB 0.9102
185 HQJ 0.9100
186 SAN 0.9100
187 4FA 0.9099
188 ACA 0.9099
189 QMP 0.9098
190 DIR 0.9097
191 AOS 0.9096
192 SHF 0.9095
193 BNL 0.9095
194 L99 0.9094
195 MLE 0.9090
196 PIM 0.9089
197 PEL 0.9087
198 8SZ 0.9085
199 YCP 0.9083
200 RNT 0.9082
201 PKU 0.9082
202 2FY 0.9080
203 2AL 0.9079
204 GRO 0.9074
205 VKC 0.9073
206 HX2 0.9072
207 0OC 0.9071
208 LNR 0.9070
209 IHG 0.9070
210 R20 0.9069
211 HSM 0.9065
212 TSU 0.9065
213 271 0.9064
214 TZE 0.9060
215 49F 0.9058
216 268 0.9058
217 KMH 0.9054
218 SEP 0.9048
219 DYT 0.9047
220 23J 0.9046
221 PGH 0.9046
222 3YP 0.9045
223 3OL 0.9042
224 MS9 0.9039
225 NXA 0.9036
226 B40 0.9035
227 MEQ 0.9033
228 RMN 0.9032
229 ROR 0.9032
230 ONH 0.9031
231 1L5 0.9031
232 AOT 0.9030
233 CUW 0.9030
234 CYX 0.9029
235 PRA 0.9028
236 2D8 0.9028
237 1H1 0.9026
238 QY9 0.9023
239 LY0 0.9020
240 RJY 0.9019
241 QSC 0.9019
242 KVP 0.9017
243 LDP 0.9017
244 HYA 0.9015
245 HTX 0.9014
246 9RW 0.9012
247 PPY 0.9012
248 7N0 0.9011
249 HIC 0.9009
250 FUD 0.9008
251 5XB 0.9008
252 R2P 0.9006
253 X0V 0.9002
254 MUC 0.9002
255 A09 0.9001
256 YRL 0.9000
257 PO6 0.8999
258 HZP 0.8996
259 N6C 0.8995
260 DHI 0.8994
261 OOG 0.8994
262 L5V 0.8992
263 NCT 0.8991
264 PAH 0.8991
265 M45 0.8990
266 HHI 0.8987
267 NLP 0.8986
268 264 0.8985
269 650 0.8983
270 AFS 0.8983
271 K6H 0.8982
272 OSE 0.8981
273 7WG 0.8981
274 9X6 0.8980
275 ZGL 0.8978
276 8GL 0.8978
277 7UC 0.8975
278 HHH 0.8972
279 KTA 0.8971
280 JF6 0.8970
281 XIZ 0.8967
282 HF2 0.8966
283 M58 0.8963
284 MEV 0.8960
285 DHS 0.8958
286 FK8 0.8956
287 AEF 0.8954
288 X1S 0.8953
289 LTL 0.8952
290 4J8 0.8952
291 PHE 0.8951
292 SS1 0.8951
293 H95 0.8950
294 MR1 0.8946
295 2FT 0.8945
296 3QM 0.8944
297 A29 0.8942
298 GLO 0.8941
299 MTL 0.8941
300 GVG 0.8939
301 ICF 0.8936
302 XCZ 0.8936
303 I4B 0.8933
304 F4E 0.8929
305 SAF 0.8929
306 S2P 0.8928
307 B3U 0.8923
308 9J3 0.8920
309 FQI 0.8920
310 52C 0.8920
311 FCR 0.8919
312 717 0.8919
313 G2H 0.8918
314 EOU 0.8914
315 IP0 0.8914
316 11C 0.8913
317 129 0.8912
318 APG 0.8912
319 HPN 0.8910
320 MHN 0.8909
321 AT3 0.8908
322 ES6 0.8908
323 PG0 0.8907
324 0VT 0.8906
325 5HY 0.8905
326 AAS 0.8904
327 3MV 0.8904
328 RNS 0.8904
329 51R 0.8903
330 9SE 0.8902
331 JZ7 0.8902
332 SNE 0.8902
333 1DV 0.8900
334 PIY 0.8899
335 41K 0.8897
336 SC2 0.8894
337 SHV 0.8892
338 CPZ 0.8889
339 O45 0.8887
340 XYH 0.8886
341 MPH 0.8886
342 NYL 0.8885
343 BSX 0.8884
344 SSB 0.8882
345 69O 0.8881
346 QDK 0.8879
347 EKZ 0.8879
348 QUS 0.8878
349 URO 0.8874
350 DCL 0.8873
351 IXW 0.8873
352 GPJ 0.8872
353 6TZ 0.8870
354 PH3 0.8869
355 8EW 0.8866
356 258 0.8865
357 DZA 0.8864
358 B09 0.8863
359 IT2 0.8862
360 5WZ 0.8862
361 MPV 0.8862
362 T9G 0.8861
363 GBN 0.8861
364 HL4 0.8860
365 2LP 0.8860
366 FBS 0.8859
367 SDD 0.8859
368 DPN 0.8854
369 JZ4 0.8852
370 URS 0.8850
371 DTL 0.8850
372 FOM 0.8848
373 3AL 0.8848
374 SMV 0.8846
375 60P 0.8846
376 BHU 0.8844
377 3HG 0.8843
378 0L1 0.8843
379 4SX 0.8843
380 CXP 0.8842
381 263 0.8842
382 EDR 0.8841
383 2EH 0.8839
384 3S5 0.8838
385 SHI 0.8838
386 RUY 0.8837
387 23W 0.8837
388 GCO 0.8835
389 NM3 0.8835
390 AC0 0.8832
391 DAV 0.8831
392 SLZ 0.8830
393 SYC 0.8829
394 ABU 0.8829
395 7A8 0.8828
396 KDG 0.8824
397 PJW 0.8824
398 DHR 0.8822
399 7OD 0.8822
400 UN1 0.8822
401 FBW 0.8817
402 4LV 0.8813
403 ISD 0.8813
404 N4B 0.8811
405 3U4 0.8806
406 PSJ 0.8804
407 AMH 0.8804
408 MD0 0.8802
409 M3H 0.8801
410 1LN 0.8799
411 8EZ 0.8799
412 VXX 0.8798
413 TAG 0.8795
414 I3E 0.8795
415 3PP 0.8792
416 NM2 0.8792
417 2PC 0.8790
418 1WC 0.8784
419 OHG 0.8783
420 HFA 0.8782
421 YZM 0.8781
422 4LW 0.8780
423 AMS 0.8780
424 MAH 0.8780
425 NFA 0.8780
426 4VY 0.8778
427 46P 0.8777
428 PBN 0.8777
429 MHO 0.8773
430 MZT 0.8773
431 BHA 0.8768
432 B85 0.8767
433 CCE 0.8766
434 DHM 0.8766
435 PBA 0.8765
436 Q03 0.8762
437 TT4 0.8762
438 HPS 0.8762
439 2F6 0.8759
440 9YL 0.8759
441 152 0.8757
442 ZXD 0.8755
443 E4P 0.8754
444 E79 0.8749
445 ALE 0.8744
446 EHM 0.8742
447 HE2 0.8741
448 4LR 0.8741
449 IPB 0.8740
450 GZL 0.8739
451 CSS 0.8734
452 JRB 0.8734
453 CCU 0.8730
454 HG3 0.8728
455 X1R 0.8728
456 6FZ 0.8727
457 GPF 0.8727
458 DII 0.8727
459 Q07 0.8720
460 4SV 0.8718
461 IP8 0.8717
462 EOL 0.8717
463 4PN 0.8712
464 DPR 0.8710
465 RUJ 0.8708
466 LFC 0.8707
467 92K 0.8706
468 1BN 0.8706
469 1SH 0.8704
470 S8V 0.8702
471 DEE 0.8702
472 BP9 0.8702
473 CHH 0.8701
474 OCA 0.8701
475 MT2 0.8696
476 BHL 0.8696
477 AEG 0.8695
478 J0Z 0.8692
479 H4E 0.8691
480 1CO 0.8689
481 TYE 0.8689
482 CCD 0.8688
483 M6W 0.8687
484 HNK 0.8681
485 PZM 0.8680
486 CH9 0.8679
487 449 0.8675
488 GVM 0.8674
489 PRY 0.8668
490 GTK 0.8666
491 FIX 0.8662
492 REL 0.8661
493 P58 0.8661
494 RTK 0.8661
495 GLR 0.8653
496 HYP 0.8645
497 4WK 0.8640
498 CS2 0.8639
499 MES 0.8634
500 XDE 0.8631
501 A8C 0.8629
502 1X4 0.8627
503 AHN 0.8619
504 SHO 0.8617
505 ALA PRO 0.8615
506 B3M 0.8614
507 AE3 0.8605
508 1DU 0.8604
509 OCT 0.8586
510 M5E 0.8585
511 XDK 0.8580
512 16D 0.8580
513 JBN 0.8580
514 0A9 0.8571
515 P80 0.8564
516 1KA 0.8561
517 DXG 0.8559
518 NSD 0.8556
519 LUQ 0.8544
520 LLH 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5NCJ; Ligand: SIN; 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: 5ncj.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5NCJ; Ligand: HL5; 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: 5ncj.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5NCJ; Ligand: HL5; 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: 5ncj.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5NCJ; Ligand: SIN; 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: 5ncj.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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