Receptor
PDB id Resolution Class Description Source Keywords
5RGB 1.42 Å EC: 3.2.1.8 CRYSTAL STRUCTURE OF KEMP ELIMINASE HG3.3B WITH BOUND TRANSI ANALOGUE, 277K THERMOASCUS AURANTIACUS HYDROLASE
Ref.: ENSEMBLE-BASED ENZYME DESIGN CAN RECAPITULATE THE E LABORATORY DIRECTED EVOLUTION IN SILICO. NAT COMMUN V. 11 4808 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6NT A:401;
B:401;
 Valid;
Valid;
 none;
none;
 submit data
164.122 C6 H4 N4 O2 c1cc2...
SO4 B:403;
A:402;
B:402;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BS0 1.09 Å EC: 3.2.1.8 CRYSTAL STRUCTURE OF KEMP ELIMINASE HG3.17 E47N,N300D COMPLE TRANSITION STATE ANALOG 6-NITROBENZOTRIAZOLE THERMOASCUS AURANTIACUS LYASE-LYASE INHIBITOR COMPLEX COMPUTATIONAL PROTEIN DESIGNTRANSFER KEMP ELIMINATION DIRECTED EVOLUTION TRANSITION TUNING BOTTOM-UP ENZYME CONSTRUCTION ELEMENTARY CHEMICAL CATALYSIS
Ref.: PRECISION IS ESSENTIAL FOR EFFICIENT CATALYSIS IN A EVOLVED KEMP ELIMINASE NATURE V. 503 418 2013
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 2BNJ - XYP XYP AHR FER n/a n/a
2 7K4X Kd = 13.04 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
3 5RGA - 6NT C6 H4 N4 O2 c1cc2c(cc1....
4 7K4Z - 6NT C6 H4 N4 O2 c1cc2c(cc1....
5 1GOR - XYS XYP n/a n/a
6 7K4Q Kd = 372.5 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
7 5RGD - 6NT C6 H4 N4 O2 c1cc2c(cc1....
8 7K4U - 6NT C6 H4 N4 O2 c1cc2c(cc1....
9 5RGC - 6NT C6 H4 N4 O2 c1cc2c(cc1....
10 4BS0 Ki = 2 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
11 3NYD - 3NY C6 H4 N4 O2 c1cc2c(cc1....
12 5RGB - 6NT C6 H4 N4 O2 c1cc2c(cc1....
13 5RGE - 6NT C6 H4 N4 O2 c1cc2c(cc1....
14 1GOQ - XYP XYP n/a n/a
15 5RGF - 6NT C6 H4 N4 O2 c1cc2c(cc1....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 1B30 - XYP XYP XYP n/a n/a
2 1B3V - XYS C5 H10 O5 C1[C@H]([C....
3 1B3Y - XYS C5 H10 O5 C1[C@H]([C....
4 1B3X - XYP XYP XYP n/a n/a
5 1B3Z - XYP XYP XYP n/a n/a
6 2BNJ - XYP XYP AHR FER n/a n/a
7 7K4X Kd = 13.04 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
8 5RGA - 6NT C6 H4 N4 O2 c1cc2c(cc1....
9 7K4Z - 6NT C6 H4 N4 O2 c1cc2c(cc1....
10 1GOR - XYS XYP n/a n/a
11 7K4Q Kd = 372.5 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
12 5RGD - 6NT C6 H4 N4 O2 c1cc2c(cc1....
13 7K4U - 6NT C6 H4 N4 O2 c1cc2c(cc1....
14 5RGC - 6NT C6 H4 N4 O2 c1cc2c(cc1....
15 4BS0 Ki = 2 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
16 3NYD - 3NY C6 H4 N4 O2 c1cc2c(cc1....
17 5RGB - 6NT C6 H4 N4 O2 c1cc2c(cc1....
18 5RGE - 6NT C6 H4 N4 O2 c1cc2c(cc1....
19 1GOQ - XYP XYP n/a n/a
20 5RGF - 6NT C6 H4 N4 O2 c1cc2c(cc1....
50% Homology Family (63)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1V0M - XDN XYP n/a n/a
2 1V0N - XIF XYP n/a n/a
3 1V0K Ki = 40 uM XYP XDN n/a n/a
4 1V0L Ki = 480 nM XIF XYP n/a n/a
5 1OD8 - XDL XYP n/a n/a
6 3W25 - XYP XYP n/a n/a
7 3W27 - XYS XYP n/a n/a
8 3W26 - XYP XYP XYP n/a n/a
9 3W29 - XYS XYP XYP XYP n/a n/a
10 3W28 - XYS XYP XYP n/a n/a
11 1B30 - XYP XYP XYP n/a n/a
12 1B3V - XYS C5 H10 O5 C1[C@H]([C....
13 1B3Y - XYS C5 H10 O5 C1[C@H]([C....
14 1B3X - XYP XYP XYP n/a n/a
15 1B3Z - XYP XYP XYP n/a n/a
16 1ISY - BGC C6 H12 O6 C([C@@H]1[....
17 1V6W - XYP XYP n/a n/a
18 1ISX - XYP XYP n/a n/a
19 1ISZ - GAL C6 H12 O6 C([C@@H]1[....
20 1V6U - XYP XYP n/a n/a
21 1V6X - XYP XYP n/a n/a
22 1V6V - XYP XYP n/a n/a
23 2D24 - XYS XYS n/a n/a
24 2D23 - XYS AZI XYS n/a n/a
25 1IT0 - BGC GAL n/a n/a
26 1ISW - XYP XYP n/a n/a
27 2D20 - NPO C6 H5 N O3 c1cc(ccc1[....
28 1ISV - XYP C5 H10 O5 C1[C@H]([C....
29 3EMZ - HXH C19 H21 N O4 c1ccc(cc1)....
30 3WUE - XYP C5 H10 O5 C1[C@H]([C....
31 3WUG - XYP C5 H10 O5 C1[C@H]([C....
32 1FH7 Ki = 5.8 uM XYP XDN n/a n/a
33 1FHD Ki = 0.15 uM XYP XIM n/a n/a
34 1FH8 Ki = 0.13 uM XYP XIF n/a n/a
35 1J01 Ki = 0.34 uM XIL C10 H17 N O7 C1CNC(=O)[....
36 1FH9 Ki = 0.37 uM LOX XYP n/a n/a
37 5D4Y - XYP XYP n/a n/a
38 2FGL - XYS XYS n/a n/a
39 3NJ3 - XYP XYP n/a n/a
40 1VBR - XYP XYS n/a n/a
41 2BNJ - XYP XYP AHR FER n/a n/a
42 7K4X Kd = 13.04 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
43 5RGA - 6NT C6 H4 N4 O2 c1cc2c(cc1....
44 7K4Z - 6NT C6 H4 N4 O2 c1cc2c(cc1....
45 1GOR - XYS XYP n/a n/a
46 7K4Q Kd = 372.5 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
47 5RGD - 6NT C6 H4 N4 O2 c1cc2c(cc1....
48 7K4U - 6NT C6 H4 N4 O2 c1cc2c(cc1....
49 5RGC - 6NT C6 H4 N4 O2 c1cc2c(cc1....
50 4BS0 Ki = 2 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
51 3NYD - 3NY C6 H4 N4 O2 c1cc2c(cc1....
52 5RGB - 6NT C6 H4 N4 O2 c1cc2c(cc1....
53 5RGE - 6NT C6 H4 N4 O2 c1cc2c(cc1....
54 1GOQ - XYP XYP n/a n/a
55 5RGF - 6NT C6 H4 N4 O2 c1cc2c(cc1....
56 1UQY - XYP XYP XYP XYP n/a n/a
57 1UR1 - XYS XYP AHR n/a n/a
58 1UQZ - XYP XYP XYP GCV n/a n/a
59 3RDK - XYS XYP XYP GCV n/a n/a
60 5OFK - XYP XYP XYP XYP XYP XYP XYP n/a n/a
61 5OFL Ka = 17500 M^-1 BGC BGC BGC BGC BGC BGC n/a n/a
62 1R87 - XYP XYP n/a n/a
63 1HIZ - GLC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6NT; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 6NT 1 1
2 3NY 0.5 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 6NT; Similar ligands found: 1362
No: Ligand Similarity coefficient
1 JAW 1.0000
2 2ZM 1.0000
3 5NI 1.0000
4 1F1 1.0000
5 ABI 1.0000
6 6NI 1.0000
7 2HU 1.0000
8 3A9 1.0000
9 0HN 1.0000
10 0HO 1.0000
11 JB8 1.0000
12 JDN 1.0000
13 E1T 0.9930
14 15N 0.9916
15 0JD 0.9913
16 9ZE 0.9845
17 HA5 0.9814
18 8ZE 0.9790
19 BZ2 0.9788
20 5OB 0.9788
21 BZ3 0.9786
22 4WL 0.9784
23 5XC 0.9763
24 ESX 0.9762
25 4P5 0.9760
26 4ZA 0.9754
27 ICB 0.9747
28 1IT 0.9734
29 9FE 0.9727
30 9CA 0.9726
31 9FL 0.9724
32 EA1 0.9723
33 BCU 0.9692
34 INO 0.9691
35 6FZ 0.9690
36 2HC 0.9689
37 ANN 0.9689
38 ICO 0.9687
39 8XL 0.9682
40 5RN 0.9680
41 NNO 0.9679
42 6KT 0.9677
43 2BG 0.9676
44 DHB 0.9674
45 F9Y 0.9666
46 MAJ 0.9660
47 4A3 0.9659
48 K97 0.9658
49 M2K 0.9658
50 4NC 0.9645
51 E5X 0.9645
52 PD2 0.9643
53 SLS 0.9640
54 FHB 0.9639
55 GJP 0.9639
56 1HN 0.9639
57 3MB 0.9635
58 OVM 0.9628
59 TYL 0.9627
60 4RU 0.9622
61 ESP 0.9619
62 XX2 0.9616
63 CWJ 0.9615
64 XIY 0.9612
65 MR1 0.9611
66 92P 0.9610
67 428 0.9602
68 4NB 0.9600
69 KYA 0.9595
70 C2Y 0.9595
71 PNZ 0.9594
72 N2I 0.9594
73 3HM 0.9592
74 93K 0.9592
75 IAC 0.9592
76 2O6 0.9587
77 PEY 0.9585
78 MYJ 0.9585
79 2HO 0.9582
80 94W 0.9581
81 4BL 0.9574
82 BZJ 0.9573
83 8G0 0.9566
84 KDV 0.9566
85 J9Q 0.9565
86 ET2 0.9560
87 FBB 0.9558
88 PDC 0.9556
89 12T 0.9555
90 BQ2 0.9554
91 F4E 0.9551
92 MSR 0.9547
93 CHB 0.9544
94 LQ2 0.9540
95 P9P 0.9539
96 F31 0.9537
97 HHI 0.9534
98 3PF 0.9532
99 03V 0.9531
100 COU 0.9530
101 4FS 0.9530
102 DNF 0.9529
103 JB5 0.9528
104 5CU 0.9527
105 CH9 0.9527
106 4I8 0.9526
107 PJW 0.9525
108 M4E 0.9521
109 ES5 0.9521
110 OCH 0.9515
111 TSR 0.9515
112 FA0 0.9510
113 8WO 0.9510
114 5LA 0.9507
115 AN3 0.9505
116 2AQ 0.9505
117 AHN 0.9505
118 DOB 0.9505
119 AMH 0.9504
120 K2T 0.9504
121 BHA 0.9502
122 5QY 0.9502
123 HIS 0.9502
124 L14 0.9501
125 173 0.9500
126 5NU 0.9498
127 GO2 0.9495
128 H42 0.9494
129 8HC 0.9493
130 6TZ 0.9493
131 4M0 0.9491
132 92K 0.9491
133 4TU 0.9491
134 5RO 0.9490
135 I3A 0.9490
136 ESI 0.9489
137 52C 0.9488
138 VNL 0.9487
139 4BY 0.9486
140 1M2 0.9486
141 1L5 0.9486
142 0FK 0.9484
143 SN4 0.9484
144 PHB 0.9483
145 9TW 0.9482
146 PAB 0.9481
147 2FY 0.9479
148 RNO 0.9472
149 97T 0.9470
150 36E 0.9469
151 2LY 0.9469
152 4NM 0.9468
153 MQN 0.9468
154 4BZ 0.9468
155 RM1 0.9467
156 SNO 0.9465
157 EYV 0.9465
158 4JQ 0.9464
159 DEW 0.9459
160 D48 0.9457
161 KTW 0.9455
162 HDH 0.9454
163 IHB 0.9453
164 27B 0.9452
165 HC4 0.9451
166 PIM 0.9451
167 ES2 0.9450
168 TSS 0.9449
169 0F9 0.9449
170 HBD 0.9449
171 1A7 0.9447
172 KJU 0.9447
173 ODO 0.9446
174 7HQ 0.9445
175 SNU 0.9444
176 E7Z 0.9439
177 M4T 0.9439
178 NPO 0.9438
179 TZF 0.9437
180 OW4 0.9436
181 9R5 0.9436
182 OW7 0.9435
183 QSB 0.9434
184 P72 0.9433
185 LNR 0.9433
186 PPY 0.9431
187 3ZB 0.9429
188 GAB 0.9429
189 CLW 0.9429
190 5GU 0.9429
191 259 0.9429
192 SE2 0.9428
193 M45 0.9428
194 N8Y 0.9427
195 YZM 0.9427
196 S0E 0.9427
197 1Y6 0.9426
198 MS9 0.9420
199 6RQ 0.9419
200 5XB 0.9419
201 IPB 0.9418
202 PHU 0.9418
203 4FA 0.9418
204 J5I 0.9417
205 SKF 0.9416
206 PIY 0.9413
207 TT4 0.9412
208 RD4 0.9409
209 4JT 0.9409
210 BGC 0.9409
211 BPN 0.9408
212 UNJ 0.9407
213 KJH 0.9406
214 G3E 0.9405
215 ZYR 0.9403
216 AA 0.9400
217 VGD 0.9399
218 AOT 0.9398
219 NDH 0.9397
220 4MA 0.9397
221 AKG 0.9397
222 5MB 0.9396
223 717 0.9396
224 2F6 0.9396
225 ANF 0.9392
226 F60 0.9392
227 Z5P 0.9392
228 61M 0.9389
229 PBZ 0.9388
230 LDP 0.9387
231 36R 0.9386
232 ZXD 0.9386
233 363 0.9384
234 14O 0.9384
235 HQJ 0.9383
236 5VL 0.9381
237 0BP 0.9380
238 4YO 0.9380
239 GDE 0.9380
240 QBK 0.9376
241 NID 0.9375
242 P9E 0.9374
243 826 0.9374
244 X0V 0.9374
245 OGA 0.9374
246 5MI 0.9373
247 AC6 0.9373
248 EVF 0.9370
249 C1M 0.9370
250 A5E 0.9369
251 L5V 0.9369
252 PO6 0.9368
253 30G 0.9368
254 1P8 0.9367
255 BK9 0.9366
256 TTL 0.9366
257 TCA 0.9365
258 0TU 0.9364
259 SYV 0.9364
260 15E 0.9364
261 DHR 0.9363
262 J6W 0.9363
263 BEA 0.9362
264 5H1 0.9361
265 2K4 0.9361
266 R8S 0.9360
267 ONR 0.9358
268 6AI 0.9357
269 DHI 0.9357
270 8WT 0.9357
271 GVG 0.9356
272 11S 0.9355
273 7W1 0.9352
274 4SX 0.9351
275 N2Z 0.9351
276 4Z4 0.9350
277 JLZ 0.9350
278 JG8 0.9349
279 SKM 0.9347
280 L99 0.9347
281 PAC 0.9346
282 N91 0.9345
283 ES9 0.9342
284 J9T 0.9341
285 EXD 0.9340
286 2HQ 0.9337
287 LT2 0.9337
288 SHA 0.9336
289 6VD 0.9335
290 4AA 0.9334
291 BSX 0.9334
292 A7H 0.9334
293 ZON 0.9333
294 5QX 0.9332
295 0N7 0.9328
296 CPZ 0.9327
297 DQU 0.9326
298 PBA 0.9325
299 M3H 0.9325
300 NCT 0.9325
301 0LH 0.9324
302 4LW 0.9324
303 0W1 0.9323
304 H4N 0.9323
305 LFC 0.9321
306 XHP 0.9320
307 44W 0.9316
308 S7J 0.9315
309 K34 0.9314
310 BZX 0.9314
311 FUD 0.9314
312 B62 0.9314
313 XDK 0.9313
314 ABV 0.9313
315 BDP 0.9313
316 3HB 0.9313
317 GOJ 0.9310
318 R20 0.9310
319 A29 0.9309
320 ISZ 0.9309
321 BNL 0.9308
322 12Q 0.9307
323 OTW 0.9306
324 OVP 0.9306
325 IWT 0.9305
326 4FH 0.9304
327 3DM 0.9303
328 CTL 0.9300
329 BTY 0.9299
330 5VM 0.9299
331 44V 0.9298
332 FK1 0.9297
333 JA8 0.9296
334 IFP 0.9296
335 ASC 0.9296
336 PQK 0.9295
337 TTY 0.9292
338 UAN 0.9290
339 DNA 0.9289
340 AZ9 0.9289
341 1AL 0.9289
342 42A 0.9288
343 TIU 0.9287
344 S2G 0.9286
345 174 0.9285
346 J9N 0.9284
347 3AB 0.9283
348 YRL 0.9282
349 TYE 0.9282
350 4ME 0.9282
351 86J 0.9281
352 DRG 0.9281
353 DMD 0.9281
354 X0U 0.9281
355 DHK 0.9280
356 3ID 0.9278
357 FK8 0.9278
358 CFI 0.9278
359 URC 0.9277
360 42C 0.9276
361 QX4 0.9275
362 LZM 0.9275
363 3VX 0.9275
364 J9W 0.9274
365 HQD 0.9274
366 DE5 0.9273
367 NOY 0.9273
368 FBF 0.9271
369 TGX 0.9270
370 SRO 0.9269
371 OTR 0.9269
372 EKZ 0.9266
373 2FQ 0.9265
374 2KA 0.9265
375 MPV 0.9264
376 IOS 0.9264
377 GZL 0.9263
378 H5B 0.9262
379 IFL 0.9261
380 GLC 0.9261
381 KOJ 0.9261
382 6QF 0.9259
383 3AE 0.9258
384 1VK 0.9258
385 ASO 0.9258
386 NIZ 0.9258
387 HQT 0.9257
388 KTA 0.9257
389 AZ8 0.9256
390 XX3 0.9255
391 KUF 0.9254
392 8NX 0.9254
393 2MI 0.9254
394 M1Q 0.9254
395 TWO 0.9254
396 OVV 0.9254
397 8NY 0.9253
398 IV2 0.9253
399 NOJ 0.9253
400 I3E 0.9252
401 4HC 0.9251
402 3DO 0.9251
403 EN1 0.9250
404 7VP 0.9249
405 M5H 0.9248
406 VXX 0.9247
407 G2F 0.9247
408 2HG 0.9247
409 EUE 0.9245
410 AEF 0.9245
411 DIN 0.9242
412 KTJ 0.9242
413 3HA 0.9241
414 RAT 0.9241
415 53C 0.9241
416 HHA 0.9240
417 3BU 0.9240
418 XIZ 0.9240
419 SSC 0.9238
420 8OZ 0.9238
421 1QP 0.9238
422 GNM 0.9235
423 QWN 0.9233
424 CWS 0.9232
425 QUS 0.9232
426 DHY 0.9231
427 NAG 0.9229
428 4KL 0.9228
429 M4S 0.9228
430 Z82 0.9226
431 INE 0.9225
432 APS 0.9225
433 AJY 0.9225
434 GTQ 0.9225
435 GUA 0.9225
436 28N 0.9223
437 4CS 0.9223
438 1P7 0.9222
439 FDR 0.9222
440 AX7 0.9222
441 270 0.9222
442 THA 0.9220
443 I1E 0.9220
444 0FO 0.9220
445 FGZ 0.9219
446 BHO 0.9219
447 SHI 0.9219
448 EUG 0.9218
449 BPY 0.9218
450 7O4 0.9218
451 SAN 0.9218
452 5HN 0.9217
453 XQ0 0.9217
454 S8V 0.9217
455 Q24 0.9216
456 YPN 0.9216
457 V1T 0.9215
458 QPR 0.9214
459 QSH 0.9214
460 FYU 0.9213
461 MVN 0.9212
462 FP1 0.9212
463 8S0 0.9212
464 6ME 0.9212
465 XAZ 0.9210
466 QXW 0.9209
467 4HM 0.9209
468 2A9 0.9208
469 R9Y 0.9208
470 FHC 0.9207
471 MEW 0.9206
472 AQO 0.9206
473 8GC 0.9206
474 AJ2 0.9205
475 HX4 0.9205
476 L22 0.9205
477 WCE 0.9205
478 LR5 0.9203
479 A7N 0.9202
480 4MU 0.9201
481 5JQ 0.9201
482 DHS 0.9201
483 5B1 0.9199
484 7ME 0.9199
485 MRW 0.9198
486 M6N 0.9197
487 R2P 0.9196
488 75K 0.9196
489 SW7 0.9195
490 CKA 0.9195
491 CN0 0.9195
492 GWM 0.9194
493 Q6T 0.9193
494 PH3 0.9193
495 463 0.9192
496 PRZ 0.9192
497 JRB 0.9191
498 8U3 0.9190
499 NFM 0.9189
500 HCI 0.9188
501 3R4 0.9187
502 2AL 0.9187
503 8H8 0.9186
504 5GT 0.9186
505 3M0 0.9185
506 DBH 0.9185
507 5WY 0.9185
508 TSU 0.9185
509 5WV 0.9183
510 HBA 0.9183
511 9TZ 0.9182
512 3NT 0.9181
513 P92 0.9180
514 GAL 0.9180
515 A7W 0.9179
516 0P6 0.9179
517 NVU 0.9179
518 XAN 0.9179
519 TPA 0.9179
520 67N 0.9178
521 AZG 0.9178
522 SRT 0.9178
523 069 0.9176
524 FBS 0.9175
525 XQG 0.9174
526 PE0 0.9173
527 MLT 0.9173
528 M5K 0.9172
529 4JC 0.9172
530 RUY 0.9171
531 LGC 0.9171
532 2K8 0.9170
533 ANC 0.9167
534 Q02 0.9167
535 9UL 0.9167
536 7NI 0.9166
537 JP2 0.9166
538 URO 0.9166
539 7MW 0.9166
540 6AP 0.9166
541 3F0 0.9164
542 8TX 0.9161
543 15L 0.9160
544 P7Y 0.9160
545 LYL 0.9160
546 AZA 0.9158
547 PZM 0.9157
548 QMP 0.9157
549 K4V 0.9156
550 LPK 0.9156
551 M6Z 0.9155
552 2BX 0.9155
553 6GU 0.9154
554 AKH 0.9154
555 G3F 0.9153
556 8CM 0.9152
557 HMH 0.9152
558 6DP 0.9152
559 8W9 0.9151
560 XYL 0.9151
561 RB5 0.9151
562 5RG 0.9150
563 N3W 0.9150
564 YH7 0.9150
565 PFL 0.9145
566 RNT 0.9144
567 4J8 0.9144
568 92G 0.9143
569 GCU 0.9142
570 B55 0.9141
571 4V2 0.9141
572 9DG 0.9141
573 268 0.9141
574 M78 0.9141
575 B85 0.9141
576 AZM 0.9140
577 FCR 0.9139
578 7MU 0.9139
579 1Z6 0.9138
580 4XF 0.9137
581 SKA 0.9137
582 GTR 0.9136
583 7VS 0.9135
584 5M0 0.9134
585 4VP 0.9134
586 A2F 0.9134
587 7WR 0.9134
588 GUN 0.9133
589 36Y 0.9132
590 S2P 0.9132
591 5TY 0.9131
592 MD6 0.9131
593 B57 0.9130
594 1XM 0.9130
595 9AP 0.9129
596 PH2 0.9128
597 NMJ 0.9128
598 BIK 0.9126
599 RXA 0.9126
600 3Z8 0.9126
601 HHH 0.9126
602 344 0.9124
603 261 0.9124
604 7W4 0.9124
605 AEG 0.9124
606 FF2 0.9123
607 54G 0.9123
608 ARP 0.9123
609 M0W 0.9123
610 FA1 0.9123
611 E7S 0.9123
612 1WC 0.9122
613 6FB 0.9121
614 PHE 0.9121
615 4XV 0.9120
616 GGL 0.9120
617 3BZ 0.9119
618 7ZE 0.9119
619 HMU 0.9119
620 535 0.9119
621 NYL 0.9117
622 GLN 0.9117
623 M1E 0.9116
624 505 0.9115
625 JF1 0.9115
626 MO8 0.9114
627 DS0 0.9114
628 3QV 0.9113
629 DX4 0.9113
630 141 0.9113
631 JF2 0.9113
632 DGL 0.9113
633 2IT 0.9113
634 3OC 0.9112
635 S7A 0.9111
636 39O 0.9111
637 M1A 0.9110
638 4XR 0.9110
639 DZA 0.9109
640 MUA 0.9107
641 3R6 0.9107
642 DRL 0.9107
643 IF7 0.9107
644 NQ 0.9103
645 3AL 0.9103
646 F12 0.9102
647 ADA 0.9102
648 F9P 0.9101
649 DNC 0.9100
650 JND 0.9100
651 AHR 0.9100
652 JBK 0.9099
653 HJH 0.9097
654 3QM 0.9097
655 ALE 0.9097
656 LDR 0.9096
657 FDB 0.9096
658 PRA 0.9096
659 2EC 0.9096
660 3J8 0.9093
661 0CU 0.9092
662 GF4 0.9091
663 4XS 0.9091
664 8NB 0.9091
665 BRT 0.9090
666 XM0 0.9090
667 PXL 0.9089
668 NLA 0.9089
669 HLZ 0.9089
670 V55 0.9088
671 F0J 0.9087
672 CFA 0.9087
673 ST3 0.9084
674 DBJ 0.9084
675 DIE 0.9084
676 4NZ 0.9083
677 FBM 0.9083
678 TH7 0.9082
679 HDL 0.9082
680 AMS 0.9081
681 ZZT 0.9081
682 DGJ 0.9081
683 KMY 0.9081
684 TMG 0.9081
685 HHS 0.9081
686 PZI 0.9081
687 R8V 0.9080
688 AL0 0.9080
689 N2M 0.9079
690 4JM 0.9078
691 FE DB1 0.9078
692 UFV 0.9077
693 258 0.9076
694 OAA 0.9076
695 HFA 0.9075
696 W81 0.9075
697 IOP 0.9075
698 6CS 0.9074
699 NFA 0.9074
700 WOO 0.9074
701 IGA 0.9073
702 Q88 0.9073
703 0FN 0.9072
704 SAL 0.9072
705 GJZ 0.9071
706 HNK 0.9071
707 68A 0.9070
708 QIC 0.9070
709 BE2 0.9068
710 2ZQ 0.9068
711 M1Z 0.9068
712 XXG 0.9068
713 ATX 0.9068
714 LEL 0.9067
715 G4D 0.9067
716 HSO 0.9067
717 ISN 0.9067
718 X48 0.9067
719 BNF 0.9066
720 56D 0.9066
721 MQB 0.9066
722 RMN 0.9066
723 4SV 0.9066
724 OMD 0.9065
725 HPS 0.9063
726 ABF 0.9062
727 ES7 0.9061
728 VK3 0.9061
729 NF3 0.9061
730 BOA 0.9060
731 9BF 0.9060
732 FAN 0.9059
733 DPT 0.9059
734 KKN 0.9059
735 JTH 0.9059
736 SYA 0.9057
737 AY4 0.9056
738 C82 0.9054
739 SVD 0.9053
740 XCG 0.9052
741 GCB 0.9050
742 TOF 0.9049
743 AJV 0.9049
744 GZ2 0.9049
745 AM4 0.9047
746 AAS 0.9046
747 5JL 0.9043
748 DYA 0.9043
749 M0Q 0.9043
750 LMR 0.9043
751 9SE 0.9043
752 GCO 0.9043
753 3W8 0.9043
754 O2A 0.9042
755 7MK 0.9042
756 FIX 0.9042
757 GLU 0.9041
758 OQC 0.9039
759 7MX 0.9039
760 TAG 0.9037
761 URS 0.9037
762 0GZ 0.9036
763 OK7 0.9036
764 BCP 0.9035
765 QUZ 0.9033
766 FLC 0.9032
767 H7Y 0.9032
768 PYQ 0.9031
769 CFP 0.9031
770 2D0 0.9031
771 1KP 0.9030
772 SMN 0.9030
773 ALL 0.9030
774 MNM 0.9029
775 ZZZ 0.9029
776 290 0.9028
777 NPY 0.9027
778 HH5 0.9027
779 1X4 0.9027
780 ES0 0.9025
781 BPU 0.9024
782 H8N 0.9024
783 4P0 0.9023
784 3HG 0.9023
785 2AK 0.9022
786 4M4 0.9022
787 46P 0.9022
788 RNS 0.9022
789 NSP 0.9021
790 CWM 0.9020
791 HHR 0.9017
792 MWP 0.9015
793 KMH 0.9015
794 ORN 0.9015
795 CIT 0.9014
796 EVA 0.9014
797 3MG 0.9014
798 X05 0.9014
799 PEA 0.9014
800 ZEC 0.9013
801 GYE 0.9013
802 4CM 0.9012
803 M1H 0.9012
804 CXF 0.9012
805 49O 0.9012
806 M3Q 0.9012
807 TYR 0.9012
808 2FT 0.9009
809 BP7 0.9009
810 3FH 0.9007
811 APZ 0.9006
812 6M9 0.9006
813 5MK 0.9006
814 QMS 0.9005
815 51R 0.9004
816 152 0.9004
817 AX3 0.9003
818 HBO 0.9002
819 2FX 0.9002
820 CXH 0.9001
821 S24 0.9000
822 7WG 0.9000
823 3U4 0.8999
824 DDU 0.8998
825 N4E 0.8998
826 ES6 0.8997
827 DBX 0.8995
828 ROI 0.8995
829 SEP 0.8995
830 GCS 0.8995
831 BZE 0.8995
832 5NS 0.8994
833 CLZ 0.8993
834 P80 0.8992
835 CSN 0.8991
836 HA7 0.8991
837 3IT 0.8991
838 GLA 0.8990
839 HLD 0.8989
840 F4K 0.8988
841 JAE 0.8987
842 SX1 0.8987
843 9RW 0.8987
844 HNT 0.8986
845 23J 0.8984
846 GDL 0.8984
847 QX2 0.8983
848 MB1 0.8983
849 DX3 0.8982
850 2CK 0.8982
851 NDG 0.8982
852 LZ2 0.8981
853 AEH 0.8981
854 24B 0.8980
855 HG3 0.8979
856 DAL DAL 0.8979
857 AAN 0.8979
858 8IG 0.8977
859 RBL 0.8977
860 M6W 0.8977
861 GV9 0.8976
862 795 0.8976
863 K7M 0.8976
864 D3G 0.8975
865 GAF 0.8975
866 B40 0.8975
867 PRF 0.8974
868 KT7 0.8974
869 XXP 0.8974
870 7N0 0.8974
871 41K 0.8973
872 88L 0.8973
873 ZME 0.8972
874 JKE 0.8972
875 1DW 0.8971
876 1P3 0.8971
877 X8D 0.8970
878 QWW 0.8970
879 SQ4 0.8970
880 R9S 0.8970
881 2FG 0.8970
882 FZM 0.8970
883 2LP 0.8969
884 COI 0.8969
885 PQ0 0.8968
886 1XA 0.8968
887 JF6 0.8966
888 HX3 0.8965
889 XRG 0.8965
890 FQI 0.8962
891 FBW 0.8961
892 86L 0.8961
893 BEZ 0.8961
894 2QC 0.8960
895 DHC 0.8960
896 G5V 0.8959
897 KBB 0.8959
898 JFJ 0.8959
899 SQ7 0.8959
900 4AV 0.8959
901 6R8 0.8959
902 23A 0.8958
903 4VY 0.8958
904 DGN 0.8958
905 209 0.8958
906 EWG 0.8958
907 0XT 0.8957
908 OHP 0.8957
909 CXP 0.8956
910 LI6 0.8955
911 Y3L 0.8955
912 SG2 0.8955
913 OA1 0.8955
914 9KT 0.8954
915 K5W 0.8950
916 3PG 0.8950
917 36M 0.8949
918 1LQ 0.8948
919 4LV 0.8948
920 GIF 0.8948
921 42J 0.8947
922 VM1 0.8947
923 0W8 0.8947
924 1LN 0.8947
925 NCA 0.8946
926 CTS 0.8945
927 GO8 0.8944
928 CK2 0.8944
929 DEE 0.8944
930 ENO 0.8944
931 SOR 0.8944
932 SJ5 0.8943
933 EYK 0.8943
934 XUL 0.8941
935 PBC 0.8939
936 FBA 0.8938
937 1SQ 0.8937
938 KIB 0.8937
939 I2E 0.8937
940 SR1 0.8936
941 5F5 0.8935
942 APG 0.8934
943 N0Z 0.8932
944 5NE 0.8932
945 KF5 0.8931
946 X6X 0.8931
947 1NP 0.8930
948 F69 0.8930
949 492 0.8929
950 MTL 0.8929
951 82I 0.8928
952 NLE 0.8928
953 R1P 0.8928
954 KJY 0.8926
955 UFO 0.8926
956 KW8 0.8926
957 EMZ 0.8926
958 BEN 0.8925
959 KBZ 0.8924
960 37T 0.8924
961 GLO 0.8923
962 SOE 0.8923
963 54X 0.8923
964 FQX 0.8920
965 NGA 0.8919
966 3VW 0.8919
967 G12 0.8918
968 X11 0.8916
969 4NS 0.8916
970 P81 0.8916
971 YTX 0.8915
972 C9E 0.8915
973 QIV 0.8914
974 Z13 0.8914
975 8MO 0.8912
976 C53 0.8910
977 6M4 0.8909
978 9MG 0.8909
979 XDE 0.8908
980 ORO 0.8905
981 GXL 0.8904
982 GIV 0.8904
983 X0W 0.8903
984 60Q 0.8903
985 091 0.8902
986 6BL 0.8902
987 MET 0.8902
988 ALA ALA 0.8901
989 DA4 0.8901
990 NIO 0.8898
991 149 0.8898
992 OA3 0.8897
993 14J 0.8896
994 Q71 0.8894
995 4HP 0.8894
996 AGK 0.8893
997 N5J 0.8892
998 JPZ 0.8892
999 0NX 0.8892
1000 JBH 0.8891
1001 H4E 0.8891
1002 FDK 0.8891
1003 5SG 0.8890
1004 ES1 0.8890
1005 PRY 0.8890
1006 SHG 0.8888
1007 OXC 0.8887
1008 MPK 0.8887
1009 ICT 0.8886
1010 SWA 0.8886
1011 1LM 0.8884
1012 7I2 0.8884
1013 AMQ 0.8884
1014 4YS 0.8883
1015 3TC 0.8883
1016 2H5 0.8883
1017 D07 0.8881
1018 FH2 0.8880
1019 0RW 0.8880
1020 RSO 0.8880
1021 EGR 0.8879
1022 KDG 0.8879
1023 DPN 0.8879
1024 LL1 0.8879
1025 AC0 0.8878
1026 H62 0.8878
1027 7OD 0.8878
1028 5IQ 0.8877
1029 80G 0.8877
1030 XCZ 0.8874
1031 MZM 0.8874
1032 7WV 0.8874
1033 ASP 0.8873
1034 PPT 0.8873
1035 7UC 0.8872
1036 E4P 0.8871
1037 GXY 0.8870
1038 3HP 0.8870
1039 JBZ 0.8869
1040 NPA 0.8868
1041 QY9 0.8867
1042 3SL 0.8866
1043 O72 0.8865
1044 3YP 0.8865
1045 34D 0.8862
1046 PKU 0.8862
1047 LVD 0.8862
1048 TRP 0.8862
1049 6PC 0.8862
1050 2GS 0.8861
1051 MNP 0.8861
1052 F05 0.8861
1053 DVQ 0.8860
1054 3C4 0.8860
1055 AMR 0.8860
1056 3VS 0.8859
1057 FBV 0.8857
1058 HQ9 0.8857
1059 AW5 0.8855
1060 VOH 0.8855
1061 SD4 0.8854
1062 REL 0.8854
1063 NTN 0.8854
1064 P3K 0.8853
1065 FBJ 0.8853
1066 6HO 0.8853
1067 1GN 0.8852
1068 VNJ 0.8851
1069 OKG 0.8851
1070 RA7 0.8850
1071 PMF 0.8846
1072 BAM 0.8846
1073 H33 0.8844
1074 MAN 0.8844
1075 MAH 0.8843
1076 DK1 0.8843
1077 FA3 0.8843
1078 2UZ 0.8842
1079 FTV 0.8841
1080 RKV 0.8841
1081 DXP 0.8840
1082 JZ4 0.8839
1083 AES 0.8839
1084 HKD 0.8838
1085 657 0.8838
1086 OTD 0.8838
1087 EV0 0.8837
1088 DOR 0.8836
1089 B53 0.8835
1090 UNC 0.8834
1091 K3Q 0.8834
1092 7B4 0.8834
1093 X09 0.8833
1094 RBJ 0.8833
1095 JCZ 0.8832
1096 GLT 0.8832
1097 2JK 0.8831
1098 2CZ 0.8830
1099 C2B 0.8829
1100 1SA 0.8828
1101 ZZA 0.8826
1102 4NP 0.8826
1103 FB1 0.8826
1104 K82 0.8824
1105 VGL 0.8824
1106 5Q0 0.8823
1107 HSX 0.8823
1108 B56 0.8821
1109 GVY 0.8819
1110 SVN 0.8818
1111 F2W 0.8816
1112 JXN 0.8816
1113 RIB 0.8815
1114 HJ7 0.8815
1115 1BN 0.8814
1116 MHK 0.8813
1117 FRU 0.8811
1118 SME 0.8810
1119 JYB 0.8809
1120 JXZ 0.8806
1121 MAQ 0.8805
1122 9PY 0.8805
1123 MBG 0.8805
1124 3XX 0.8805
1125 XBT 0.8804
1126 HJP 0.8803
1127 9EW 0.8803
1128 24W 0.8803
1129 2GQ 0.8802
1130 D1X 0.8801
1131 TZM 0.8799
1132 A9P 0.8799
1133 ZBT 0.8798
1134 GBN 0.8797
1135 449 0.8795
1136 QSC 0.8791
1137 PZA 0.8791
1138 A5H 0.8788
1139 LAO 0.8788
1140 ZZ8 0.8787
1141 3SK 0.8787
1142 1WD 0.8786
1143 PEP 0.8786
1144 T9G 0.8786
1145 4ZC 0.8786
1146 3VQ 0.8785
1147 5OO 0.8785
1148 1DV 0.8784
1149 KYN 0.8784
1150 M3E 0.8783
1151 TBS 0.8780
1152 FOT 0.8780
1153 PUE 0.8780
1154 YCP 0.8780
1155 4JL 0.8779
1156 UNU 0.8775
1157 DQA 0.8774
1158 QMR 0.8774
1159 7B3 0.8773
1160 NBZ 0.8773
1161 JXW 0.8773
1162 B60 0.8772
1163 STX 0.8772
1164 20J 0.8772
1165 BHQ 0.8771
1166 CFF 0.8771
1167 4MB 0.8768
1168 MXD 0.8768
1169 GRE 0.8767
1170 E3X 0.8767
1171 BZQ 0.8765
1172 HRM 0.8764
1173 DMJ 0.8762
1174 SS1 0.8762
1175 TEP 0.8761
1176 549 0.8761
1177 TLA 0.8760
1178 HLR 0.8760
1179 S60 0.8758
1180 ADZ 0.8756
1181 EV2 0.8755
1182 G14 0.8755
1183 0R0 0.8754
1184 C5A 0.8754
1185 5DL 0.8753
1186 7FU 0.8752
1187 VC3 0.8752
1188 ODK 0.8751
1189 HQY 0.8748
1190 1PT 0.8747
1191 TIY 0.8745
1192 PRL 0.8745
1193 NCD 0.8745
1194 PCA 0.8744
1195 F1A 0.8743
1196 DIU 0.8743
1197 UEG 0.8743
1198 TXW 0.8743
1199 MZB 0.8743
1200 GZ3 0.8743
1201 8GK 0.8742
1202 E3D 0.8741
1203 K32 0.8740
1204 67X 0.8740
1205 B2J 0.8735
1206 QQQ 0.8735
1207 RHU 0.8734
1208 NGO 0.8732
1209 R67 0.8732
1210 IQ5 0.8730
1211 KGK 0.8730
1212 LT8 0.8730
1213 N7I 0.8730
1214 S76 0.8730
1215 39U 0.8729
1216 5GV 0.8729
1217 6M1 0.8728
1218 A13 0.8724
1219 PX7 0.8724
1220 JAH 0.8724
1221 PFB 0.8723
1222 BGU 0.8720
1223 6F0 0.8717
1224 LYS 0.8717
1225 PHH 0.8716
1226 E35 0.8716
1227 IJZ 0.8715
1228 0FR 0.8715
1229 GHM 0.8714
1230 E1K 0.8712
1231 JA5 0.8711
1232 7A2 0.8711
1233 SXS 0.8710
1234 B5D 0.8708
1235 PXM 0.8706
1236 PEL 0.8705
1237 DFB 0.8705
1238 TEO 0.8705
1239 5WX 0.8704
1240 57O 0.8704
1241 XI7 0.8704
1242 78Y 0.8702
1243 E0O 0.8702
1244 DC5 0.8702
1245 JR2 0.8702
1246 I4B 0.8701
1247 JBQ 0.8698
1248 9NB 0.8698
1249 FLV 0.8698
1250 2CQ 0.8695
1251 GGB 0.8694
1252 0OC 0.8694
1253 JZ3 0.8692
1254 226 0.8692
1255 4HB 0.8691
1256 C2U 0.8691
1257 JU2 0.8690
1258 NK 0.8689
1259 HHT 0.8688
1260 DCZ 0.8687
1261 4XH 0.8686
1262 TH0 0.8685
1263 BBK 0.8684
1264 UN1 0.8683
1265 0VT 0.8682
1266 32X 0.8681
1267 ACA 0.8680
1268 DHQ 0.8679
1269 5VJ 0.8676
1270 STT 0.8673
1271 MCT 0.8671
1272 ZYQ 0.8671
1273 NHG 0.8669
1274 PMB 0.8669
1275 M44 0.8668
1276 HSM 0.8667
1277 FBU 0.8666
1278 4HO 0.8665
1279 FB2 0.8664
1280 13P 0.8663
1281 BSP 0.8662
1282 HH8 0.8662
1283 27Y 0.8659
1284 LIP 0.8659
1285 IPD 0.8657
1286 H4B 0.8657
1287 8XQ 0.8657
1288 ITE 0.8656
1289 XYP 0.8656
1290 K17 0.8654
1291 680 0.8654
1292 YIE 0.8651
1293 3GQ 0.8650
1294 FWD 0.8650
1295 2ZV 0.8646
1296 I6G 0.8645
1297 DUR 0.8644
1298 4CL 0.8642
1299 MZW 0.8641
1300 IL5 0.8640
1301 CCU 0.8640
1302 P4B 0.8638
1303 5JC 0.8638
1304 HPA 0.8637
1305 HNQ 0.8636
1306 BVA 0.8636
1307 PC 0.8634
1308 ZZ3 0.8633
1309 MJ2 0.8632
1310 CIY 0.8632
1311 4JJ 0.8630
1312 6L6 0.8625
1313 BA5 0.8622
1314 NTZ 0.8620
1315 LZ5 0.8616
1316 3WA 0.8616
1317 MT0 0.8615
1318 BR9 0.8614
1319 A5P 0.8614
1320 G6D 0.8611
1321 XBZ 0.8609
1322 KMT 0.8608
1323 MS0 0.8608
1324 12B 0.8607
1325 M2H 0.8606
1326 MEV 0.8606
1327 PMP 0.8605
1328 K68 0.8604
1329 22L 0.8603
1330 MWJ 0.8601
1331 2CL 0.8597
1332 LDC 0.8592
1333 L13 0.8592
1334 IND 0.8589
1335 5TZ 0.8589
1336 HBI 0.8586
1337 MSL 0.8584
1338 BMA 0.8583
1339 AMC 0.8583
1340 URF 0.8577
1341 Q7A 0.8573
1342 K25 0.8573
1343 2YU 0.8573
1344 1U6 0.8573
1345 TCR 0.8568
1346 PLP 0.8565
1347 B2Y 0.8562
1348 B1J 0.8561
1349 ADE 0.8560
1350 3Y7 0.8560
1351 G3H 0.8555
1352 6ZW 0.8553
1353 TLM 0.8551
1354 FBT 0.8543
1355 G3P 0.8541
1356 DEN 0.8539
1357 2AS 0.8538
1358 U7E 0.8536
1359 MZG 0.8532
1360 0UL 0.8529
1361 LXC 0.8527
1362 5V7 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BS0; Ligand: 6NT; 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: 4bs0.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4BS0; Ligand: 6NT; 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: 4bs0.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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