Receptor
PDB id Resolution Class Description Source Keywords
3N8K 2.25 Å EC: 4.2.1.10 TYPE II DEHYDROQUINASE FROM MYCOBACTERIUM TUBERCULOSIS COMPL CITRAZINIC ACID MYCOBACTERIUM TUBERCULOSIS DEHYDRATASE SHIKIMATE PATHWAY LYASE AROMATIC AMINO ACID BIOSYNTHESIS TUBERCULOSIS DRUG TARGET CITRAZINIC ACID SGENOMICS TB STRUCTURAL GENOMICS CONSORTIUM TBSGC
Ref.: STRUCTURAL INVESTIGATION OF INHIBITOR DESIGNS TARGE 3-DEHYDROQUINATE DEHYDRATASE FROM THE SHIKIMATE PAT MYCOBACTERIUM TUBERCULOSIS. BIOCHEM.J. V. 436 729 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:148;
B:148;
C:148;
C:149;
C:150;
D:148;
D:149;
D:150;
E:148;
E:149;
F:148;
H:148;
I:148;
J:148;
J:149;
K:148;
K:149;
L:148;
L:149;
M:147;
N:148;
O:148;
P:148;
Q:147;
S:148;
V:148;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
D1X A:147;
B:147;
C:147;
D:147;
E:147;
F:147;
G:147;
H:147;
I:147;
J:147;
K:147;
L:147;
M:150;
N:147;
O:147;
P:147;
R:147;
S:147;
T:147;
U:147;
V:147;
W:147;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Kd = 90 uM
155.108 C6 H5 N O4 C1C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3N8K 2.25 Å EC: 4.2.1.10 TYPE II DEHYDROQUINASE FROM MYCOBACTERIUM TUBERCULOSIS COMPL CITRAZINIC ACID MYCOBACTERIUM TUBERCULOSIS DEHYDRATASE SHIKIMATE PATHWAY LYASE AROMATIC AMINO ACID BIOSYNTHESIS TUBERCULOSIS DRUG TARGET CITRAZINIC ACID SGENOMICS TB STRUCTURAL GENOMICS CONSORTIUM TBSGC
Ref.: STRUCTURAL INVESTIGATION OF INHIBITOR DESIGNS TARGE 3-DEHYDROQUINATE DEHYDRATASE FROM THE SHIKIMATE PAT MYCOBACTERIUM TUBERCULOSIS. BIOCHEM.J. V. 436 729 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3N8K Kd = 90 uM D1X C6 H5 N O4 C1C(=CC(=O....
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3N87 Ki = 11 uM N87 C20 H18 O6 c1ccc(cc1)....
2 2Y76 Ki = 440 nM CB7 C25 H22 O6 S2 c1cc2c(ccs....
3 3N7A Ki = 200 uM FA1 C7 H10 O5 C1[C@H]([C....
4 4B6O Ki = 100 nM 3DQ C15 H18 O7 COc1ccc(cc....
5 2Y71 Ki = 42.5 nM CB6 C17 H18 O6 S Cc1ccc2c(c....
6 4CIW Ki = 15 uM XH2 C9 H14 O6 C1[C@H]([C....
7 4B6P Ki = 74 nM 2HN C14 H11 F5 O6 C1[C@H]([C....
8 3N8N Ki = 27 uM N88 C12 H19 N O6 CC(C)(C)NC....
9 3N76 Ki = 0.14 uM CA2 C16 H22 O6 c1ccc(cc1)....
10 4CIY Ki = 27 uM NDY C15 H18 O6 c1ccc(cc1)....
11 1H0R Ki = 200 uM FA1 C7 H10 O5 C1[C@H]([C....
12 3N86 Ki = 2.3 uM RJP C16 H17 N O6 c1ccc(cc1)....
13 2XB8 Ki = 26 nM XNW C15 H18 O7 COc1ccc(cc....
14 1H0S - FA6 C7 H11 N O6 C1[C@H]([C....
15 4B6Q Ki = 28 nM BZ5 C16 H16 O6 S c1cc2c(ccs....
16 2Y77 Ki = 250 nM CB8 C21 H20 O6 S2 c1ccc2c(c1....
17 3N8K Kd = 90 uM D1X C6 H5 N O4 C1C(=CC(=O....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3N87 Ki = 11 uM N87 C20 H18 O6 c1ccc(cc1)....
2 2Y76 Ki = 440 nM CB7 C25 H22 O6 S2 c1cc2c(ccs....
3 3N7A Ki = 200 uM FA1 C7 H10 O5 C1[C@H]([C....
4 4B6O Ki = 100 nM 3DQ C15 H18 O7 COc1ccc(cc....
5 2Y71 Ki = 42.5 nM CB6 C17 H18 O6 S Cc1ccc2c(c....
6 4CIW Ki = 15 uM XH2 C9 H14 O6 C1[C@H]([C....
7 4B6P Ki = 74 nM 2HN C14 H11 F5 O6 C1[C@H]([C....
8 3N8N Ki = 27 uM N88 C12 H19 N O6 CC(C)(C)NC....
9 1GTZ - DHK C7 H10 O5 C1[C@@H](C....
10 3N8K Kd = 90 uM D1X C6 H5 N O4 C1C(=CC(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: D1X; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 D1X 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: D1X; Similar ligands found: 1148
No: Ligand Similarity coefficient
1 ORO 1.0000
2 34D 0.9988
3 AW5 0.9986
4 DOR 0.9978
5 OXC 0.9914
6 DHK 0.9875
7 IJZ 0.9716
8 3HB 0.9695
9 FOT 0.9686
10 GDE 0.9670
11 FBU 0.9663
12 53C 0.9651
13 A13 0.9649
14 NMJ 0.9646
15 2A7 0.9637
16 WCE 0.9632
17 3NT 0.9632
18 3OC 0.9627
19 GAB 0.9607
20 3AB 0.9605
21 ZZ3 0.9597
22 MJ2 0.9591
23 FGZ 0.9588
24 EV0 0.9584
25 UNC 0.9568
26 5HN 0.9567
27 2AL 0.9564
28 S76 0.9562
29 8GC 0.9556
30 DBH 0.9552
31 QSH 0.9551
32 4CS 0.9545
33 BRT 0.9544
34 OVV 0.9537
35 HJP 0.9530
36 6OT 0.9529
37 II6 0.9514
38 3BZ 0.9513
39 3HA 0.9502
40 DHB 0.9492
41 GCU 0.9490
42 C2U 0.9488
43 BDP 0.9487
44 GTR 0.9483
45 BGC 0.9480
46 3AL 0.9477
47 9DG 0.9473
48 SJ5 0.9469
49 SKM 0.9464
50 B2J 0.9454
51 GLC 0.9452
52 AS3 0.9444
53 JFJ 0.9431
54 Q88 0.9431
55 1XN 0.9429
56 3HM 0.9428
57 PZI 0.9426
58 URC 0.9425
59 ES0 0.9417
60 4YS 0.9415
61 DIU 0.9413
62 GCB 0.9412
63 N5J 0.9412
64 4XV 0.9411
65 7WR 0.9410
66 5SG 0.9410
67 J9T 0.9409
68 5IQ 0.9409
69 4A3 0.9408
70 KT7 0.9407
71 VNL 0.9405
72 JPZ 0.9404
73 JBH 0.9404
74 42C 0.9403
75 7N0 0.9401
76 4NC 0.9401
77 XX2 0.9401
78 3MB 0.9401
79 OVM 0.9398
80 3F0 0.9396
81 LGC 0.9394
82 ES1 0.9394
83 FHB 0.9393
84 Q6T 0.9392
85 MYJ 0.9386
86 UFV 0.9384
87 INO 0.9384
88 069 0.9383
89 2HO 0.9382
90 M5K 0.9379
91 93K 0.9379
92 CWM 0.9378
93 1P3 0.9377
94 IFM 0.9377
95 J9W 0.9376
96 GUN 0.9375
97 7NI 0.9374
98 AKH 0.9374
99 NNO 0.9373
100 1NP 0.9370
101 9TW 0.9369
102 9MG 0.9369
103 1LM 0.9367
104 5RG 0.9366
105 P9P 0.9366
106 GTQ 0.9364
107 EVA 0.9363
108 1SQ 0.9363
109 HQY 0.9362
110 JLZ 0.9360
111 XAN 0.9358
112 IPZ 0.9358
113 ADA 0.9357
114 M1H 0.9357
115 5Q0 0.9355
116 1LQ 0.9347
117 8S0 0.9346
118 FE DB1 0.9344
119 4XS 0.9338
120 M6N 0.9338
121 QPR 0.9336
122 G3F 0.9336
123 3IT 0.9336
124 JBK 0.9334
125 51R 0.9331
126 PE0 0.9331
127 M1Q 0.9329
128 AZA 0.9329
129 CHB 0.9328
130 4ME 0.9326
131 23A 0.9325
132 FBW 0.9323
133 3M0 0.9323
134 8TX 0.9323
135 NFQ 0.9322
136 GYE 0.9320
137 KBG 0.9319
138 XCZ 0.9313
139 O72 0.9311
140 0GZ 0.9310
141 10L 0.9310
142 CN0 0.9307
143 45L 0.9305
144 AZ8 0.9301
145 7MU 0.9301
146 2FG 0.9300
147 DQA 0.9300
148 E35 0.9299
149 GAL 0.9299
150 AIN 0.9298
151 6PC 0.9298
152 6CS 0.9298
153 4HC 0.9297
154 HPA 0.9296
155 M0W 0.9296
156 7VS 0.9296
157 MO8 0.9293
158 2D0 0.9290
159 3ID 0.9290
160 FA3 0.9286
161 Q24 0.9285
162 GIF 0.9285
163 BEZ 0.9284
164 AGK 0.9282
165 A7W 0.9282
166 XAZ 0.9280
167 QSB 0.9280
168 AJ2 0.9279
169 290 0.9279
170 15L 0.9279
171 MUA 0.9277
172 O2A 0.9276
173 AQO 0.9276
174 5M0 0.9275
175 54G 0.9272
176 LYL 0.9269
177 A2F 0.9268
178 OXZ 0.9265
179 SX1 0.9265
180 ZZ8 0.9265
181 BEN 0.9265
182 MEW 0.9264
183 F12 0.9264
184 GV9 0.9263
185 QBK 0.9261
186 R9S 0.9260
187 BMA 0.9257
188 7HP 0.9257
189 IGA 0.9257
190 141 0.9256
191 HHA 0.9252
192 BAM 0.9252
193 DFB 0.9252
194 DBJ 0.9250
195 BP1 0.9250
196 NIO 0.9249
197 IHB 0.9248
198 YH7 0.9248
199 5JQ 0.9247
200 DIN 0.9246
201 ZWZ 0.9245
202 ADE 0.9245
203 PDC 0.9244
204 K5W 0.9243
205 SWD 0.9243
206 NCA 0.9242
207 2PG 0.9241
208 GCS 0.9241
209 6AP 0.9240
210 7WA 0.9240
211 NCD 0.9240
212 UNU 0.9239
213 PRZ 0.9238
214 DX4 0.9238
215 75K 0.9233
216 HLZ 0.9230
217 B55 0.9230
218 D07 0.9226
219 BE2 0.9224
220 6XI 0.9223
221 DHS 0.9222
222 F0J 0.9219
223 9HX 0.9219
224 149 0.9218
225 6MP 0.9218
226 4XH 0.9218
227 R8V 0.9218
228 BTY 0.9216
229 5MK 0.9215
230 C2A 0.9213
231 5ZE 0.9213
232 4HM 0.9212
233 AZG 0.9211
234 YCP 0.9210
235 M1E 0.9210
236 PBC 0.9208
237 L99 0.9207
238 GLA 0.9206
239 M0Q 0.9206
240 F31 0.9203
241 9DA 0.9203
242 3Z8 0.9202
243 CFP 0.9201
244 V55 0.9199
245 M1Z 0.9198
246 BOA 0.9194
247 OW4 0.9192
248 24W 0.9192
249 1GN 0.9191
250 MT0 0.9191
251 HLD 0.9190
252 PZA 0.9190
253 AC0 0.9189
254 ERH 0.9188
255 1XM 0.9188
256 1AL 0.9187
257 BNS 0.9187
258 HH8 0.9184
259 0P6 0.9184
260 FP1 0.9183
261 BR8 0.9181
262 BTE 0.9181
263 2AK 0.9181
264 KIA 0.9179
265 RSO 0.9179
266 KOJ 0.9177
267 SWA 0.9177
268 9TZ 0.9177
269 DRL 0.9176
270 NBZ 0.9176
271 SYA 0.9175
272 KUF 0.9175
273 SAL 0.9169
274 APZ 0.9168
275 ADZ 0.9168
276 KIB 0.9168
277 293 0.9167
278 OTD 0.9167
279 P3K 0.9166
280 DIE 0.9166
281 OVP 0.9165
282 AX3 0.9164
283 KFH 0.9163
284 AHR 0.9162
285 5JL 0.9161
286 B62 0.9161
287 G4D 0.9161
288 I3A 0.9161
289 CWS 0.9160
290 JTH 0.9158
291 GIV 0.9157
292 12M 0.9155
293 4XR 0.9155
294 X0V 0.9154
295 KTA 0.9153
296 BE7 0.9153
297 LSA 0.9151
298 2ZX 0.9150
299 3FH 0.9150
300 XSP 0.9147
301 13X 0.9147
302 TRC 0.9143
303 CXF 0.9142
304 BCP 0.9141
305 8IG 0.9139
306 DMD 0.9138
307 AX2 0.9136
308 VNJ 0.9135
309 23J 0.9135
310 CCB 0.9134
311 495 0.9134
312 VGL 0.9133
313 3SK 0.9133
314 MRW 0.9131
315 TRA 0.9130
316 A29 0.9129
317 HH5 0.9129
318 BHO 0.9128
319 SHG 0.9128
320 AZ9 0.9127
321 FA6 0.9126
322 J9Q 0.9126
323 8CM 0.9126
324 OMD 0.9123
325 JKZ 0.9122
326 261 0.9121
327 6UA 0.9121
328 2DR 0.9120
329 9KH 0.9120
330 2LP 0.9119
331 SVN 0.9117
332 SVD 0.9116
333 3AY 0.9116
334 0CU 0.9115
335 5AN 0.9114
336 3U4 0.9113
337 EOL 0.9112
338 IFP 0.9112
339 ASO 0.9111
340 7HQ 0.9111
341 QIC 0.9111
342 ASC 0.9110
343 SHA 0.9110
344 7B4 0.9110
345 4AA 0.9110
346 YIO 0.9109
347 1WD 0.9108
348 DQU 0.9108
349 2H5 0.9107
350 4SX 0.9107
351 TZE 0.9106
352 TFU 0.9105
353 M58 0.9104
354 4M4 0.9101
355 EUG 0.9101
356 DMJ 0.9098
357 NOJ 0.9097
358 QX4 0.9094
359 3MG 0.9093
360 6M4 0.9093
361 ES6 0.9093
362 SS1 0.9092
363 ICO 0.9092
364 4MU 0.9091
365 G5V 0.9091
366 HY1 0.9090
367 HNQ 0.9090
368 HQD 0.9090
369 WDL 0.9088
370 SXS 0.9087
371 5WY 0.9087
372 2F6 0.9086
373 G2F 0.9085
374 VOH 0.9085
375 TCZ 0.9085
376 CDV 0.9084
377 R8S 0.9083
378 FLC 0.9083
379 5QX 0.9083
380 LCN 0.9082
381 0N7 0.9080
382 PM6 0.9078
383 PHT 0.9078
384 KKN 0.9077
385 E7Z 0.9077
386 4FH 0.9076
387 KDF 0.9076
388 7MH 0.9075
389 9EW 0.9075
390 6ME 0.9075
391 MNM 0.9073
392 GAF 0.9073
393 7ZE 0.9073
394 IP0 0.9073
395 GLY PRO 0.9072
396 329 0.9071
397 FYU 0.9071
398 FBM 0.9069
399 ISZ 0.9069
400 5RN 0.9068
401 GLT 0.9068
402 QSC 0.9067
403 6M9 0.9066
404 XHP 0.9066
405 SAF 0.9064
406 NOY 0.9063
407 0FO 0.9063
408 AEH 0.9060
409 GJS 0.9060
410 AY4 0.9059
411 6GU 0.9059
412 DNC 0.9059
413 G2H 0.9058
414 RM1 0.9058
415 8WT 0.9057
416 HXX 0.9057
417 44V 0.9056
418 JZ3 0.9055
419 PA1 0.9055
420 3DO 0.9053
421 XQ0 0.9053
422 HZQ 0.9051
423 GZL 0.9050
424 7WV 0.9050
425 EKZ 0.9049
426 67N 0.9049
427 JIF 0.9049
428 263 0.9048
429 PXL 0.9048
430 F05 0.9048
431 HLR 0.9047
432 XQG 0.9045
433 HQT 0.9045
434 F9P 0.9045
435 GM7 0.9044
436 F81 0.9043
437 7W1 0.9043
438 EGR 0.9042
439 7ME 0.9042
440 KBB 0.9041
441 35C 0.9040
442 TTL 0.9040
443 2ZQ 0.9040
444 NTM 0.9039
445 EA1 0.9038
446 HQJ 0.9038
447 ISN 0.9037
448 EYK 0.9037
449 DBX 0.9035
450 H7Y 0.9034
451 LNR 0.9034
452 CIT 0.9032
453 EDR 0.9029
454 F69 0.9029
455 RIB 0.9029
456 0RW 0.9029
457 0W1 0.9029
458 ES4 0.9028
459 97T 0.9027
460 C9E 0.9026
461 Z5P 0.9026
462 GAG 0.9025
463 QWN 0.9024
464 AZF 0.9024
465 LT2 0.9023
466 L5V 0.9022
467 ES7 0.9022
468 FA0 0.9020
469 0W8 0.9019
470 RD4 0.9018
471 XYP 0.9018
472 AUD 0.9017
473 LDP 0.9015
474 I1E 0.9015
475 VXX 0.9015
476 ZXD 0.9015
477 MVN 0.9015
478 UAN 0.9015
479 T6C 0.9014
480 FAN 0.9014
481 GBD 0.9014
482 6LW 0.9013
483 SS2 0.9013
484 270 0.9012
485 JBE 0.9012
486 OTW 0.9012
487 FA1 0.9011
488 PHB 0.9011
489 JKE 0.9011
490 XX3 0.9010
491 MBG 0.9008
492 IV2 0.9008
493 TWO 0.9008
494 NTN 0.9007
495 4Z4 0.9007
496 2LY 0.9006
497 4SV 0.9006
498 44W 0.9006
499 5WV 0.9006
500 SR1 0.9005
501 RNS 0.9004
502 IFL 0.9004
503 M1A 0.9004
504 AMC 0.9003
505 8WO 0.9003
506 1DW 0.8999
507 AX7 0.8999
508 PD2 0.8999
509 X6X 0.8997
510 MAQ 0.8997
511 DOB 0.8997
512 NVU 0.8996
513 8G0 0.8996
514 1F1 0.8996
515 1XA 0.8994
516 HMU 0.8993
517 DNF 0.8992
518 M4T 0.8989
519 7W4 0.8989
520 1P7 0.8988
521 3Z7 0.8987
522 R20 0.8985
523 OXQ 0.8985
524 T9G 0.8983
525 1Y6 0.8983
526 URQ 0.8983
527 GJZ 0.8981
528 INE 0.8981
529 PHU 0.8981
530 BSX 0.8979
531 6TZ 0.8977
532 PFB 0.8974
533 FEH 0.8973
534 TPA 0.8973
535 B60 0.8972
536 8XQ 0.8972
537 DA4 0.8971
538 CFI 0.8971
539 HX3 0.8970
540 3XX 0.8969
541 XM0 0.8968
542 NTZ 0.8968
543 4ZC 0.8966
544 N2Z 0.8966
545 0F9 0.8966
546 3HP 0.8964
547 JZ4 0.8964
548 MAN 0.8963
549 N7P 0.8962
550 ZZT 0.8962
551 JND 0.8960
552 QY9 0.8960
553 2MI 0.8960
554 MXN 0.8960
555 URS 0.8959
556 ONR 0.8958
557 PRY 0.8958
558 5QY 0.8958
559 G3E 0.8958
560 COU 0.8958
561 5OB 0.8958
562 5H1 0.8957
563 SC2 0.8956
564 QXW 0.8956
565 DGJ 0.8954
566 ABV 0.8953
567 PMB 0.8953
568 K3Q 0.8952
569 42A 0.8952
570 173 0.8951
571 XBT 0.8949
572 2ZM 0.8948
573 1DJ 0.8947
574 GZ8 0.8942
575 QAT 0.8942
576 NID 0.8942
577 5CU 0.8942
578 SYR 0.8941
579 HBD 0.8941
580 12B 0.8941
581 GXL 0.8940
582 FB2 0.8940
583 R8A 0.8939
584 FBV 0.8939
585 QUS 0.8938
586 463 0.8938
587 NIZ 0.8938
588 2A9 0.8937
589 ASN 0.8937
590 BZ3 0.8937
591 3DM 0.8936
592 NK 0.8935
593 LZM 0.8934
594 2TQ 0.8933
595 9PY 0.8933
596 2MN 0.8933
597 QWW 0.8932
598 7WG 0.8931
599 GLU 0.8931
600 MNN 0.8931
601 1X7 0.8930
602 BZX 0.8930
603 IT2 0.8929
604 6VD 0.8929
605 NPO 0.8929
606 HMH 0.8929
607 KP6 0.8928
608 EMZ 0.8927
609 G8M 0.8926
610 JR2 0.8926
611 5NU 0.8925
612 RNT 0.8924
613 1LN 0.8924
614 5AC 0.8922
615 KYA 0.8922
616 40E 0.8922
617 KLW 0.8921
618 HBX 0.8921
619 39O 0.8920
620 GRE 0.8919
621 47J 0.8919
622 PYF 0.8918
623 3MA 0.8918
624 G6D 0.8918
625 TBP 0.8917
626 P92 0.8917
627 MLT 0.8916
628 FRU 0.8914
629 AN0 0.8914
630 4M0 0.8914
631 52C 0.8912
632 25W 0.8912
633 5MB 0.8911
634 FDB 0.8911
635 8GK 0.8911
636 BHA 0.8910
637 OCH 0.8910
638 92P 0.8908
639 PFL 0.8906
640 4P5 0.8906
641 51F 0.8904
642 SOE 0.8903
643 TIU 0.8902
644 PBZ 0.8901
645 ABI 0.8901
646 42J 0.8900
647 NPY 0.8900
648 0HN 0.8900
649 FH2 0.8899
650 V6F 0.8899
651 PAB 0.8899
652 JFD 0.8897
653 60P 0.8897
654 FUL 0.8895
655 TOF 0.8895
656 5WX 0.8895
657 FDK 0.8894
658 IF7 0.8893
659 URF 0.8893
660 ASP 0.8893
661 TM7 0.8892
662 4ZE 0.8892
663 AKG 0.8890
664 LKA 0.8889
665 GLN 0.8889
666 QAS 0.8889
667 QUZ 0.8889
668 FB1 0.8888
669 GIO 0.8887
670 RB5 0.8886
671 F60 0.8886
672 MWP 0.8886
673 0HO 0.8883
674 MSN 0.8882
675 2EH 0.8882
676 2K4 0.8882
677 ZB1 0.8880
678 0GY 0.8879
679 MWM 0.8879
680 2EC 0.8879
681 KJY 0.8879
682 DAS 0.8878
683 6F0 0.8878
684 LZ1 0.8878
685 NBE 0.8877
686 M2K 0.8877
687 NQ 0.8877
688 N3W 0.8876
689 SOR 0.8876
690 HQ9 0.8875
691 XXP 0.8875
692 95Z 0.8875
693 ICT 0.8875
694 P72 0.8875
695 HIS 0.8875
696 4P0 0.8874
697 286 0.8874
698 791 0.8873
699 60Q 0.8873
700 32X 0.8873
701 6M1 0.8873
702 TAG 0.8873
703 GXY 0.8873
704 WBU 0.8872
705 CTS 0.8872
706 LT8 0.8872
707 C2Y 0.8871
708 TEP 0.8871
709 282 0.8871
710 RXA 0.8871
711 YQA 0.8870
712 12Q 0.8870
713 5B1 0.8869
714 BEA 0.8869
715 Q71 0.8869
716 ALA PRO 0.8867
717 ABN 0.8865
718 SKA 0.8865
719 3A9 0.8865
720 FPI 0.8865
721 0R1 0.8864
722 BK9 0.8863
723 H76 0.8862
724 289 0.8861
725 HIO 0.8861
726 82I 0.8861
727 VK3 0.8861
728 MCT 0.8860
729 826 0.8860
730 4MA 0.8859
731 NDH 0.8858
732 J5I 0.8858
733 14O 0.8857
734 JB5 0.8857
735 A1U 0.8857
736 UEG 0.8856
737 3WA 0.8856
738 GLY CYS 0.8855
739 SE2 0.8855
740 JBQ 0.8855
741 86J 0.8855
742 5NI 0.8855
743 4JT 0.8854
744 XXG 0.8853
745 APY 0.8853
746 2AC 0.8853
747 174 0.8853
748 MPI 0.8851
749 GOX 0.8850
750 IND 0.8850
751 FBG 0.8850
752 HT4 0.8849
753 SF9 0.8847
754 ES9 0.8847
755 PAC 0.8846
756 3PG 0.8845
757 QOS 0.8845
758 OHP 0.8844
759 ALL 0.8844
760 2MP 0.8844
761 5MI 0.8843
762 6AI 0.8842
763 CTL 0.8841
764 TDR 0.8841
765 SYN 0.8840
766 SW7 0.8840
767 PQK 0.8840
768 Z82 0.8839
769 AH8 0.8838
770 ZZ2 0.8838
771 34A 0.8837
772 TT4 0.8836
773 4JP 0.8836
774 PEA 0.8835
775 03V 0.8834
776 3PF 0.8834
777 GVG 0.8834
778 Q7A 0.8833
779 M5N 0.8831
780 GTL 0.8830
781 ATH 0.8830
782 MLE 0.8830
783 717 0.8830
784 XYD 0.8829
785 X0W 0.8828
786 DEN 0.8828
787 GVH 0.8828
788 ADK 0.8827
789 AJV 0.8827
790 DEE 0.8826
791 9RW 0.8824
792 275 0.8824
793 3R6 0.8823
794 2AQ 0.8823
795 XBZ 0.8823
796 FUC 0.8822
797 PEL 0.8822
798 JAE 0.8822
799 M2H 0.8821
800 0R0 0.8821
801 ES5 0.8821
802 CRN 0.8821
803 HY3 0.8820
804 CBF 0.8819
805 MFB 0.8819
806 FCB 0.8818
807 OKM 0.8818
808 BZF 0.8816
809 3NY 0.8815
810 VGD 0.8813
811 KGK 0.8812
812 WOO 0.8809
813 2YU 0.8809
814 1P8 0.8809
815 XXR 0.8809
816 4HO 0.8808
817 2FQ 0.8808
818 AMG 0.8806
819 CFF 0.8806
820 MHK 0.8805
821 36R 0.8803
822 NIG 0.8802
823 M4E 0.8802
824 D48 0.8802
825 ICP 0.8802
826 PYD 0.8802
827 NDM 0.8802
828 GP9 0.8801
829 6NT 0.8801
830 284 0.8801
831 RMN 0.8801
832 PY7 0.8800
833 11S 0.8800
834 YSO 0.8800
835 L7T 0.8799
836 ICF 0.8799
837 BDF 0.8799
838 QM1 0.8798
839 LMR 0.8797
840 5JC 0.8797
841 IPB 0.8797
842 H42 0.8796
843 4CL 0.8796
844 BZI 0.8796
845 2HU 0.8795
846 BNT 0.8794
847 ORN 0.8793
848 EQT 0.8793
849 RSF 0.8793
850 M3H 0.8792
851 MZG 0.8792
852 PIM 0.8792
853 6DP 0.8791
854 TEO 0.8791
855 B24 0.8791
856 TTY 0.8790
857 4FS 0.8789
858 QX2 0.8789
859 1MC 0.8788
860 DHQ 0.8788
861 NCT 0.8787
862 27Y 0.8787
863 XQI 0.8786
864 4JJ 0.8786
865 PEP 0.8786
866 3SL 0.8785
867 1PT 0.8785
868 39A 0.8783
869 PYQ 0.8783
870 5RO 0.8782
871 CLW 0.8780
872 TH7 0.8780
873 6R8 0.8779
874 KYD 0.8779
875 OAA 0.8779
876 5XC 0.8778
877 XUL 0.8778
878 ET2 0.8778
879 271 0.8777
880 MEV 0.8776
881 ES2 0.8776
882 6RQ 0.8775
883 QMP 0.8772
884 SLC 0.8771
885 NXA 0.8770
886 FUF 0.8770
887 N8P 0.8768
888 TLA 0.8766
889 AC6 0.8766
890 FK1 0.8765
891 JZ2 0.8764
892 HDL 0.8763
893 24B 0.8763
894 SMN 0.8761
895 692 0.8761
896 AOS 0.8759
897 HDH 0.8758
898 GCV 0.8758
899 14J 0.8758
900 X09 0.8757
901 ROI 0.8756
902 X8Z 0.8756
903 I6G 0.8756
904 4WL 0.8756
905 7VJ 0.8754
906 7D2 0.8753
907 B53 0.8753
908 8OZ 0.8751
909 CKU 0.8749
910 H4N 0.8749
911 43M 0.8749
912 FPK 0.8747
913 N8Y 0.8747
914 5UC 0.8747
915 8NY 0.8747
916 A9O 0.8746
917 A9P 0.8745
918 PEZ 0.8745
919 CFA 0.8745
920 XIY 0.8742
921 UFO 0.8742
922 0CT 0.8742
923 ENL 0.8741
924 GOG 0.8741
925 JF6 0.8740
926 BR9 0.8740
927 8NX 0.8740
928 6NI 0.8740
929 P84 0.8740
930 MR1 0.8739
931 DGL 0.8739
932 2IT 0.8739
933 5GU 0.8739
934 CRS 0.8739
935 B5D 0.8738
936 JZ9 0.8734
937 MWJ 0.8734
938 2CK 0.8734
939 PXM 0.8733
940 0LH 0.8732
941 PCA 0.8732
942 LXC 0.8731
943 PYJ 0.8731
944 HGQ 0.8731
945 FQI 0.8731
946 2ZV 0.8730
947 ONL 0.8729
948 B3R 0.8728
949 IDM 0.8727
950 FBB 0.8727
951 57O 0.8727
952 HEW 0.8727
953 RCO 0.8726
954 DHY 0.8725
955 LRH 0.8724
956 RM4 0.8724
957 R9Y 0.8723
958 GCW 0.8722
959 SRT 0.8721
960 JAW 0.8718
961 209 0.8717
962 CLZ 0.8716
963 IDH 0.8714
964 SRO 0.8714
965 X8D 0.8714
966 EXO 0.8713
967 9CL 0.8713
968 ESI 0.8712
969 IAC 0.8711
970 150 0.8710
971 F5B 0.8710
972 FBT 0.8710
973 2D3 0.8709
974 MET 0.8708
975 1WG 0.8707
976 1U1 0.8706
977 4JQ 0.8706
978 URA 0.8705
979 264 0.8704
980 1Z8 0.8704
981 1MR 0.8703
982 MZB 0.8703
983 4A5 0.8701
984 37T 0.8701
985 GOO 0.8700
986 WOT 0.8700
987 285 0.8700
988 2HQ 0.8698
989 PIY 0.8697
990 Y8I 0.8697
991 JXW 0.8696
992 TH0 0.8694
993 X05 0.8693
994 LDR 0.8693
995 PX7 0.8693
996 GCO 0.8692
997 5VM 0.8692
998 7UC 0.8691
999 20J 0.8691
1000 KJU 0.8690
1001 XQK 0.8689
1002 3CH 0.8688
1003 JZ1 0.8688
1004 BVF 0.8687
1005 RAT 0.8686
1006 M3T 0.8685
1007 MMA 0.8684
1008 LG5 0.8683
1009 23W 0.8682
1010 H33 0.8681
1011 LG3 0.8681
1012 CEE 0.8680
1013 BCU 0.8680
1014 JXN 0.8679
1015 9KT 0.8679
1016 PHH 0.8679
1017 CIG 0.8677
1018 PRO 0.8677
1019 FCR 0.8675
1020 2FY 0.8675
1021 SAN 0.8675
1022 TSU 0.8675
1023 XYS 0.8673
1024 GRO 0.8673
1025 4H2 0.8672
1026 BPU 0.8672
1027 6BL 0.8672
1028 JZ5 0.8671
1029 SF6 0.8670
1030 JUG 0.8670
1031 JA8 0.8668
1032 PYC 0.8668
1033 4TU 0.8667
1034 DIG 0.8667
1035 ODO 0.8667
1036 K2T 0.8667
1037 EXD 0.8666
1038 K3Y 0.8665
1039 RHU 0.8664
1040 CH9 0.8663
1041 MFU 0.8663
1042 N2I 0.8663
1043 HHQ 0.8663
1044 H3M 0.8662
1045 VPR 0.8659
1046 HKD 0.8657
1047 2CQ 0.8655
1048 FBS 0.8653
1049 MS9 0.8651
1050 HBA 0.8650
1051 1DV 0.8649
1052 6MH 0.8647
1053 5NE 0.8647
1054 13P 0.8646
1055 A09 0.8645
1056 FBJ 0.8645
1057 61M 0.8643
1058 O7U 0.8642
1059 680 0.8642
1060 K34 0.8641
1061 W8G 0.8640
1062 DAL DAL 0.8640
1063 F4Z 0.8639
1064 JDN 0.8639
1065 CIZ 0.8638
1066 CYT 0.8636
1067 IHG 0.8635
1068 8W9 0.8635
1069 3CE 0.8635
1070 0MK 0.8631
1071 4VY 0.8631
1072 LEU 0.8631
1073 26D 0.8631
1074 ITN 0.8631
1075 4VP 0.8630
1076 8GF 0.8629
1077 DUB 0.8628
1078 MBD 0.8628
1079 TP5 0.8628
1080 MQB 0.8627
1081 3FA 0.8627
1082 HHT 0.8626
1083 PH2 0.8626
1084 HHR 0.8626
1085 BZ2 0.8626
1086 TSS 0.8626
1087 PYG 0.8623
1088 DX3 0.8622
1089 0V5 0.8621
1090 1WC 0.8621
1091 TM4 0.8620
1092 SYG 0.8620
1093 NSP 0.8619
1094 PRF 0.8619
1095 RIP 0.8616
1096 JYD 0.8615
1097 MT5 0.8615
1098 JB8 0.8614
1099 KTW 0.8614
1100 ESP 0.8613
1101 PQ0 0.8611
1102 B57 0.8610
1103 2CM 0.8606
1104 OGA 0.8606
1105 67X 0.8603
1106 AAS 0.8601
1107 NBG 0.8600
1108 2MY 0.8598
1109 2C9 0.8597
1110 NLA 0.8596
1111 FBA 0.8596
1112 8VN 0.8596
1113 1KP 0.8596
1114 AOR 0.8594
1115 RJY 0.8593
1116 3C4 0.8591
1117 4JO 0.8587
1118 GLY LEU 0.8586
1119 4J8 0.8585
1120 DFU 0.8584
1121 TAR 0.8584
1122 INS 0.8584
1123 HSE 0.8583
1124 39U 0.8583
1125 091 0.8583
1126 5MH 0.8580
1127 DUC 0.8578
1128 6JN 0.8577
1129 1FF 0.8576
1130 PBA 0.8575
1131 P4B 0.8575
1132 4YO 0.8573
1133 PKU 0.8572
1134 9ON 0.8571
1135 RAM 0.8565
1136 GMN 0.8565
1137 RPQ 0.8563
1138 7CT 0.8561
1139 GIM 0.8559
1140 15N 0.8558
1141 9X7 0.8558
1142 B4O 0.8552
1143 7B3 0.8552
1144 EJZ 0.8551
1145 SDD 0.8542
1146 6FZ 0.8536
1147 3C2 0.8527
1148 TYL 0.8524
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3N8K; Ligand: D1X; 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: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3N8K; Ligand: D1X; 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: 3n8k.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3N8K; Ligand: D1X; 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: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3N8K; Ligand: D1X; 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: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3n8k.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3n8k.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3n8k.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3n8k.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3n8k.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3n8k.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3n8k.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 3n8k.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 3n8k.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 3n8k.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 3n8k.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 3n8k.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 3N8K; Ligand: D1X; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 3n8k.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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