Receptor
PDB id Resolution Class Description Source Keywords
3N7A 2 Å EC: 4.2.1.10 CRYSTAL STRUCTURE OF 3-DEHYDROQUINATE DEHYDRATASE FROM MYCOB TUBERCULOSIS IN COMPLEX WITH INHIBITOR 2 MYCOBACTERIUM TUBERCULOSIS DEHYDROQUINATE DEHYDRATASE MYCOBACTERIUM TUBERCULOSIS SHIKPATHWAY DRUG DISCOVERY LYASE LYASE-LYASE INHIBITOR COMPL
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
FA1 A:147;
B:148;
C:147;
D:147;
E:148;
F:147;
G:148;
H:148;
I:148;
J:147;
K:147;
L:148;
M:147;
N:147;
O:148;
P:148;
Q:148;
R:147;
S:147;
T:148;
U:148;
V:148;
W:147;
X:148;
 Valid;
Valid;
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;
none;
none;
 Ki = 200 uM
174.151 C7 H10 O5 C1[C@...
GOL B:147;
E:147;
G:147;
H:147;
I:147;
L:147;
O:147;
P:147;
Q:147;
T:147;
U:147;
V:147;
X:147;
 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;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XB8 2.4 Å EC: 4.2.1.10 STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TYPE II DEHYDROQUINA COMPLEX WITH INHIBITOR COMPOUND (2R)-2-(4-METHOXYBENZYL)-3-D EHYDROQUINIC ACID MYCOBACTERIUM TUBERCULOSIS LYASE AMINO ACID BIOSYNTHESIS
Ref.: UNDERSTANDING THE KEY FACTORS THAT CONTROL THE INHI TYPE II DEHYDROQUINASE BY (2R)-2- BENZYL-3-DEHYDROQ ACIDS. CHEMMEDCHEM V. 5 1726 2010
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 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....
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: FA1; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FA1 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: FA1; Similar ligands found: 1094
No: Ligand Similarity coefficient
1 LYS 1.0000
2 FA3 0.9802
3 DQA 0.9624
4 QIC 0.9578
5 4NC 0.9543
6 IFP 0.9519
7 EKZ 0.9504
8 DHB 0.9497
9 DHK 0.9460
10 X0V 0.9445
11 INO 0.9444
12 LDP 0.9439
13 SYG 0.9390
14 TLA 0.9388
15 P9P 0.9386
16 XX2 0.9381
17 ALA ALA 0.9368
18 MYJ 0.9367
19 3OC 0.9367
20 93K 0.9362
21 9PY 0.9354
22 4FH 0.9348
23 51R 0.9346
24 DHY 0.9344
25 42J 0.9329
26 ZXD 0.9329
27 2FT 0.9322
28 R9S 0.9321
29 SRT 0.9319
30 ASC 0.9318
31 VNL 0.9312
32 9TW 0.9311
33 BHO 0.9303
34 QY9 0.9302
35 3C4 0.9298
36 QSB 0.9295
37 LNR 0.9289
38 K6H 0.9288
39 DHS 0.9286
40 1P3 0.9285
41 2HO 0.9285
42 RNT 0.9283
43 173 0.9280
44 CHB 0.9280
45 K5W 0.9274
46 IHB 0.9273
47 LT2 0.9272
48 TSU 0.9271
49 3HP 0.9266
50 4SX 0.9266
51 NNO 0.9264
52 SOE 0.9264
53 DGJ 0.9262
54 92K 0.9261
55 RNS 0.9256
56 ADA 0.9255
57 KOJ 0.9253
58 RAT 0.9252
59 RMN 0.9252
60 SHA 0.9248
61 GBN 0.9247
62 GAB 0.9242
63 AFR 0.9241
64 HL5 0.9241
65 4P5 0.9241
66 4XR 0.9238
67 4CS 0.9236
68 PMB 0.9236
69 UFV 0.9234
70 FHB 0.9231
71 XIY 0.9230
72 GRO 0.9229
73 4A3 0.9227
74 717 0.9226
75 3NT 0.9222
76 3HM 0.9210
77 RUY 0.9209
78 SMN 0.9208
79 SVD 0.9208
80 PAB 0.9208
81 8WO 0.9206
82 ICB 0.9205
83 NPO 0.9204
84 6FZ 0.9200
85 M4T 0.9200
86 ISD 0.9198
87 PHB 0.9198
88 2ZM 0.9198
89 IF7 0.9197
90 3FH 0.9197
91 OHP 0.9196
92 PAC 0.9196
93 4XV 0.9196
94 9RW 0.9193
95 OMD 0.9185
96 FCR 0.9184
97 F31 0.9182
98 2AL 0.9178
99 EDR 0.9177
100 SJ5 0.9177
101 F9P 0.9173
102 I4B 0.9172
103 AEH 0.9170
104 SYM 0.9170
105 Q88 0.9169
106 DBX 0.9168
107 AKG 0.9165
108 1M2 0.9165
109 TAR 0.9164
110 BDF 0.9163
111 ISZ 0.9163
112 3HB 0.9162
113 JFJ 0.9158
114 2C2 0.9158
115 HBA 0.9154
116 23J 0.9153
117 A29 0.9153
118 SKM 0.9152
119 A13 0.9151
120 1F1 0.9150
121 SAN 0.9150
122 AL0 0.9148
123 L99 0.9148
124 53C 0.9147
125 SAF 0.9145
126 SNE 0.9142
127 SDD 0.9138
128 V55 0.9138
129 4HP 0.9137
130 RSO 0.9136
131 SF9 0.9135
132 ORO 0.9135
133 OAF 0.9135
134 E7Z 0.9134
135 ASO 0.9133
136 0HO 0.9132
137 FRU 0.9131
138 BDP 0.9131
139 CN0 0.9130
140 CFI 0.9129
141 XCZ 0.9128
142 GAL 0.9128
143 GIV 0.9125
144 DOR 0.9125
145 J9T 0.9125
146 FEH 0.9125
147 HX3 0.9124
148 3A9 0.9123
149 6NT 0.9123
150 GDE 0.9123
151 8OZ 0.9122
152 DEE 0.9120
153 0HN 0.9120
154 PAF 0.9116
155 H7Y 0.9115
156 7A8 0.9115
157 3ID 0.9115
158 URS 0.9115
159 PCA 0.9114
160 XXG 0.9113
161 6PC 0.9112
162 9RH 0.9111
163 069 0.9111
164 LRH 0.9111
165 2A9 0.9107
166 GLU 0.9105
167 DAL DAL 0.9103
168 AAS 0.9103
169 5RG 0.9103
170 HBD 0.9102
171 271 0.9102
172 XM0 0.9101
173 GLN 0.9101
174 OVV 0.9101
175 RHU 0.9100
176 M3H 0.9099
177 KBG 0.9098
178 2D8 0.9098
179 URC 0.9096
180 YCP 0.9095
181 HHA 0.9095
182 GLA 0.9094
183 X09 0.9094
184 4FA 0.9092
185 3NY 0.9090
186 F0J 0.9090
187 5DI 0.9089
188 OTR 0.9089
189 4HM 0.9089
190 ET2 0.9089
191 YRL 0.9088
192 XUL 0.9087
193 I1E 0.9087
194 KBB 0.9087
195 NIZ 0.9085
196 4RW 0.9085
197 KTA 0.9084
198 GTR 0.9083
199 RBJ 0.9083
200 5NI 0.9082
201 FA6 0.9082
202 QSH 0.9079
203 AMH 0.9078
204 0JD 0.9077
205 PZI 0.9077
206 3XX 0.9077
207 KDF 0.9076
208 HA5 0.9076
209 DBH 0.9076
210 DMD 0.9075
211 FB1 0.9075
212 2AS 0.9073
213 BZ2 0.9073
214 PEL 0.9072
215 4AA 0.9072
216 5RO 0.9071
217 1Y6 0.9070
218 HDH 0.9068
219 5QY 0.9068
220 ABI 0.9068
221 NMJ 0.9068
222 PBZ 0.9067
223 3DO 0.9066
224 4VP 0.9066
225 FBW 0.9065
226 6RQ 0.9065
227 AX7 0.9065
228 270 0.9065
229 AEF 0.9064
230 3M0 0.9063
231 268 0.9062
232 6M4 0.9062
233 0P6 0.9061
234 1DV 0.9060
235 36E 0.9058
236 HPS 0.9056
237 CLW 0.9055
238 T9G 0.9055
239 MR1 0.9054
240 AHB 0.9054
241 MXN 0.9054
242 52C 0.9053
243 NBZ 0.9051
244 YIO 0.9050
245 XLS 0.9049
246 ES0 0.9049
247 2MI 0.9049
248 BE2 0.9047
249 3PF 0.9046
250 SS2 0.9046
251 5RN 0.9046
252 FB2 0.9045
253 LFR 0.9044
254 FBV 0.9044
255 HYA 0.9043
256 3HA 0.9043
257 5M0 0.9042
258 261 0.9040
259 NCT 0.9040
260 PEA 0.9039
261 XYH 0.9039
262 FX1 0.9037
263 AC6 0.9037
264 G4D 0.9036
265 Z82 0.9036
266 FK8 0.9035
267 ES2 0.9035
268 149 0.9033
269 GAF 0.9033
270 2PG 0.9033
271 IJZ 0.9033
272 34V 0.9032
273 SOR 0.9031
274 LYL 0.9030
275 SPV 0.9030
276 BEZ 0.9030
277 PMF 0.9030
278 EUG 0.9028
279 4M4 0.9028
280 EYK 0.9028
281 1DJ 0.9028
282 263 0.9027
283 X6X 0.9027
284 3V4 0.9027
285 NOJ 0.9027
286 3AB 0.9027
287 4XS 0.9026
288 APG 0.9026
289 SAL 0.9026
290 GCO 0.9023
291 54G 0.9023
292 WCE 0.9022
293 FBS 0.9022
294 GJZ 0.9019
295 1P8 0.9018
296 MNN 0.9017
297 FP1 0.9017
298 5WV 0.9017
299 HY1 0.9017
300 36R 0.9016
301 AOS 0.9015
302 DHI 0.9014
303 MLT 0.9014
304 FBM 0.9013
305 GLC 0.9012
306 NIO 0.9012
307 YTX 0.9011
308 6TZ 0.9011
309 JZ7 0.9011
310 D1X 0.9011
311 BNL 0.9011
312 CXF 0.9010
313 BCU 0.9010
314 M58 0.9010
315 NCA 0.9008
316 HIS 0.9008
317 SOL 0.9007
318 FGZ 0.9006
319 3C7 0.9006
320 8WT 0.9006
321 BEN 0.9006
322 3F0 0.9006
323 GCU 0.9006
324 QMP 0.9005
325 7MU 0.9005
326 2H5 0.9004
327 9TZ 0.9003
328 ASP 0.9003
329 ROR 0.9002
330 GZL 0.9001
331 PIY 0.9001
332 9KH 0.9001
333 DYT 0.9000
334 FE DB1 0.9000
335 5OB 0.9000
336 4MA 0.9000
337 4JQ 0.8999
338 5HN 0.8998
339 7W4 0.8996
340 CWM 0.8996
341 SS1 0.8995
342 2RH 0.8994
343 QWN 0.8994
344 SWA 0.8993
345 BZ3 0.8993
346 4ZA 0.8993
347 5MK 0.8993
348 TAG 0.8992
349 ABE 0.8992
350 0F9 0.8991
351 GYE 0.8991
352 2XX 0.8991
353 OAA 0.8991
354 TPA 0.8990
355 IZC 0.8990
356 BAM 0.8990
357 4Z4 0.8988
358 FDK 0.8987
359 5CU 0.8987
360 BSX 0.8986
361 B0D 0.8986
362 ONR 0.8984
363 FH2 0.8984
364 CIT 0.8984
365 CTS 0.8984
366 DS0 0.8983
367 EVA 0.8983
368 TYL 0.8983
369 GTQ 0.8982
370 1LQ 0.8982
371 FOT 0.8980
372 PEP 0.8980
373 VOH 0.8978
374 7N0 0.8978
375 MAN 0.8978
376 NDH 0.8976
377 HQJ 0.8976
378 6NI 0.8975
379 I3A 0.8975
380 BGC 0.8974
381 DOB 0.8974
382 GXL 0.8973
383 JZ4 0.8972
384 0LH 0.8972
385 JF6 0.8972
386 5XC 0.8972
387 2FG 0.8972
388 2TQ 0.8971
389 PHE 0.8971
390 GF4 0.8971
391 EV0 0.8970
392 P92 0.8969
393 PZA 0.8969
394 5VM 0.8968
395 4JT 0.8967
396 AHR 0.8967
397 3BZ 0.8967
398 Q03 0.8966
399 IPB 0.8966
400 ABV 0.8966
401 5NU 0.8965
402 QXW 0.8965
403 ASN 0.8965
404 CEE 0.8964
405 57O 0.8964
406 NHG 0.8964
407 QDK 0.8963
408 9ZE 0.8963
409 PSJ 0.8962
410 NK2 0.8962
411 97T 0.8961
412 ES7 0.8961
413 QSC 0.8961
414 6CS 0.8960
415 KKN 0.8960
416 15L 0.8960
417 4PN 0.8960
418 JLZ 0.8960
419 FBT 0.8959
420 8TX 0.8959
421 PPR 0.8958
422 G3E 0.8958
423 PIM 0.8958
424 EXD 0.8958
425 MSR 0.8958
426 VXX 0.8957
427 RM1 0.8957
428 4SV 0.8956
429 3SK 0.8954
430 LEU 0.8953
431 3U4 0.8952
432 2K4 0.8952
433 HHH 0.8951
434 HIO 0.8951
435 4J8 0.8951
436 ISN 0.8951
437 GVG 0.8951
438 JAW 0.8951
439 ALE 0.8950
440 XDE 0.8950
441 2HG 0.8950
442 SYV 0.8949
443 IFL 0.8948
444 PRY 0.8947
445 IFM 0.8947
446 URF 0.8947
447 12T 0.8946
448 ICO 0.8945
449 9FL 0.8944
450 MUC 0.8943
451 TSS 0.8943
452 AS3 0.8942
453 4WL 0.8942
454 HQD 0.8942
455 258 0.8941
456 AMS 0.8941
457 SD4 0.8941
458 6AI 0.8941
459 AEG 0.8939
460 428 0.8939
461 7WG 0.8939
462 FUD 0.8938
463 XQ0 0.8938
464 3YP 0.8937
465 82I 0.8937
466 J9Q 0.8937
467 MTL 0.8936
468 GLL 0.8935
469 J5I 0.8933
470 MRZ 0.8932
471 2EC 0.8932
472 SPA 0.8932
473 TH7 0.8931
474 ES6 0.8930
475 GCB 0.8930
476 UNU 0.8930
477 AOT 0.8930
478 8EZ 0.8929
479 NK1 0.8929
480 D48 0.8928
481 5GU 0.8928
482 RBL 0.8927
483 SE2 0.8927
484 SEP 0.8926
485 449 0.8926
486 1DQ 0.8925
487 8GL 0.8924
488 F60 0.8924
489 UYA 0.8924
490 2CL 0.8923
491 A7W 0.8923
492 ODO 0.8923
493 HYP 0.8923
494 3Z8 0.8923
495 DGL 0.8922
496 SLC 0.8922
497 MJ2 0.8922
498 2HU 0.8921
499 DMJ 0.8920
500 FUL 0.8920
501 9R5 0.8919
502 LMR 0.8919
503 PHU 0.8919
504 AGK 0.8916
505 HPA 0.8916
506 AC0 0.8915
507 PNZ 0.8914
508 15N 0.8913
509 5H1 0.8913
510 4M0 0.8913
511 K2T 0.8912
512 2BG 0.8912
513 0MK 0.8911
514 14O 0.8911
515 N4B 0.8910
516 2FY 0.8910
517 CTL 0.8910
518 8GC 0.8910
519 PBC 0.8910
520 G2F 0.8909
521 GZQ 0.8909
522 ADE 0.8909
523 4VY 0.8907
524 TEO 0.8907
525 PPY 0.8907
526 N2Z 0.8906
527 FBB 0.8906
528 3BU 0.8905
529 GLO 0.8905
530 M6W 0.8904
531 BHA 0.8904
532 BNS 0.8904
533 PO6 0.8903
534 IPM 0.8902
535 SYC 0.8901
536 5MI 0.8901
537 8ZE 0.8900
538 APS 0.8900
539 JTH 0.8900
540 M1A 0.8900
541 E5X 0.8900
542 FBA 0.8899
543 5JQ 0.8899
544 5FX 0.8898
545 269 0.8898
546 NVU 0.8897
547 COU 0.8897
548 3PG 0.8896
549 VNJ 0.8896
550 61M 0.8896
551 1LN 0.8895
552 NXA 0.8895
553 NOY 0.8894
554 FA0 0.8894
555 WBU 0.8894
556 L5V 0.8893
557 BNF 0.8893
558 K34 0.8893
559 RIB 0.8892
560 4BZ 0.8891
561 DIN 0.8890
562 WOT 0.8890
563 LGC 0.8890
564 826 0.8889
565 BRT 0.8889
566 MS9 0.8889
567 VGD 0.8889
568 N3W 0.8888
569 GXY 0.8887
570 MNM 0.8886
571 XYL 0.8886
572 RB5 0.8886
573 GIF 0.8886
574 XAN 0.8886
575 R20 0.8885
576 2LP 0.8884
577 34D 0.8883
578 HXX 0.8883
579 DPN 0.8882
580 XX3 0.8881
581 K7M 0.8881
582 R8V 0.8880
583 SW7 0.8880
584 C2A 0.8879
585 BZX 0.8879
586 BMA 0.8878
587 ES5 0.8877
588 2AQ 0.8877
589 JAE 0.8877
590 5QX 0.8875
591 NCD 0.8875
592 IAC 0.8874
593 0OC 0.8874
594 IP0 0.8873
595 SX1 0.8873
596 EA1 0.8870
597 1XA 0.8870
598 KJU 0.8870
599 40E 0.8869
600 67N 0.8869
601 ANN 0.8868
602 JB5 0.8867
603 5MB 0.8867
604 BTY 0.8867
605 0W8 0.8867
606 SN4 0.8864
607 FUC 0.8864
608 3QM 0.8862
609 8U3 0.8862
610 JND 0.8862
611 B85 0.8861
612 FBU 0.8861
613 F05 0.8861
614 OCH 0.8860
615 4FS 0.8860
616 B40 0.8859
617 03V 0.8859
618 FYU 0.8858
619 HMH 0.8858
620 IUP 0.8857
621 4JL 0.8855
622 LCN 0.8855
623 75K 0.8854
624 HC4 0.8854
625 MCO 0.8853
626 1WD 0.8852
627 3IT 0.8851
628 Z5P 0.8850
629 DFB 0.8850
630 COI 0.8850
631 MRW 0.8849
632 4PW 0.8849
633 FAN 0.8849
634 OXC 0.8849
635 O7U 0.8846
636 11S 0.8845
637 P72 0.8844
638 LPK 0.8844
639 HF2 0.8844
640 S24 0.8844
641 KMH 0.8843
642 G3F 0.8843
643 1GN 0.8842
644 GLT 0.8842
645 AZ9 0.8842
646 ARW 0.8842
647 MLE 0.8842
648 6F0 0.8842
649 174 0.8841
650 DHR 0.8840
651 GLY PRO 0.8840
652 86J 0.8839
653 95Z 0.8839
654 J9W 0.8839
655 SVJ 0.8837
656 TWO 0.8836
657 TYE 0.8834
658 HMU 0.8834
659 SNU 0.8834
660 QUS 0.8833
661 N5J 0.8833
662 CRN 0.8833
663 PRZ 0.8832
664 JKE 0.8832
665 ILE 0.8831
666 45L 0.8831
667 REL 0.8830
668 Q02 0.8830
669 1SQ 0.8830
670 DFU 0.8830
671 152 0.8830
672 98J 0.8829
673 THE 0.8829
674 4P0 0.8829
675 Q6T 0.8829
676 E1P 0.8828
677 ITN 0.8827
678 H42 0.8827
679 TT4 0.8827
680 CBF 0.8826
681 FBJ 0.8826
682 MFU 0.8826
683 DAS 0.8825
684 4NG 0.8824
685 SR1 0.8823
686 51F 0.8822
687 GCS 0.8821
688 7HP 0.8820
689 C2B 0.8819
690 BPY 0.8819
691 HNK 0.8818
692 3CU 0.8818
693 5HY 0.8818
694 3MB 0.8818
695 0W1 0.8818
696 L13 0.8817
697 H62 0.8816
698 OGA 0.8816
699 2CK 0.8815
700 24B 0.8813
701 MAH 0.8813
702 M0Q 0.8813
703 SF6 0.8812
704 JBK 0.8812
705 8NX 0.8812
706 KDG 0.8812
707 SYA 0.8812
708 EHM 0.8810
709 A9P 0.8810
710 HDL 0.8809
711 GWM 0.8809
712 1SA 0.8808
713 RIP 0.8808
714 ES9 0.8808
715 LLH 0.8808
716 5IQ 0.8808
717 O72 0.8808
718 4YO 0.8808
719 8H8 0.8808
720 IT2 0.8806
721 7WV 0.8806
722 FLC 0.8805
723 0V5 0.8805
724 PEQ 0.8805
725 F9Y 0.8805
726 A09 0.8804
727 8S0 0.8804
728 5SG 0.8804
729 FK1 0.8804
730 GLF 0.8804
731 UNJ 0.8804
732 M4S 0.8804
733 G5V 0.8802
734 MWP 0.8802
735 7B4 0.8801
736 K97 0.8801
737 OXZ 0.8800
738 B62 0.8800
739 3SL 0.8799
740 M2K 0.8798
741 WOO 0.8797
742 UY7 0.8797
743 F4E 0.8796
744 E7S 0.8794
745 GUN 0.8794
746 3DM 0.8794
747 IV2 0.8793
748 AX3 0.8793
749 23A 0.8793
750 C5A 0.8792
751 EMZ 0.8792
752 TTL 0.8792
753 HSO 0.8792
754 1MC 0.8791
755 PKU 0.8791
756 MBG 0.8790
757 RUU 0.8790
758 RSF 0.8790
759 9DG 0.8790
760 ABN 0.8789
761 12Q 0.8788
762 NGO 0.8787
763 1NP 0.8787
764 XAZ 0.8787
765 HH5 0.8786
766 ICF 0.8784
767 2D0 0.8784
768 ZZT 0.8783
769 9MG 0.8783
770 IT9 0.8782
771 TIH 0.8782
772 PZM 0.8782
773 4NM 0.8782
774 DQU 0.8782
775 HJP 0.8781
776 TNE 0.8781
777 PA1 0.8780
778 2UB 0.8780
779 M0W 0.8780
780 JDN 0.8779
781 AZF 0.8779
782 H4N 0.8778
783 QUZ 0.8777
784 HQY 0.8776
785 AI2 0.8775
786 JPZ 0.8775
787 MAJ 0.8774
788 DNF 0.8774
789 BEA 0.8774
790 4YS 0.8774
791 VGL 0.8774
792 FUF 0.8773
793 JB8 0.8772
794 2HQ 0.8772
795 MO8 0.8772
796 ALL 0.8771
797 GV9 0.8771
798 4HO 0.8770
799 5Q0 0.8770
800 8NY 0.8769
801 41K 0.8767
802 TMH 0.8766
803 3AL 0.8765
804 SYN 0.8762
805 5VL 0.8762
806 9FE 0.8761
807 15E 0.8761
808 TEP 0.8761
809 XYS 0.8761
810 XSP 0.8759
811 Z6J 0.8759
812 PBA 0.8758
813 ES1 0.8758
814 MCT 0.8757
815 1WC 0.8755
816 10L 0.8755
817 5JL 0.8754
818 GLY GLY 0.8754
819 B55 0.8753
820 HFA 0.8751
821 CH9 0.8750
822 7HQ 0.8750
823 NSP 0.8749
824 KUF 0.8749
825 OVM 0.8749
826 X05 0.8749
827 F81 0.8748
828 J9N 0.8748
829 0N7 0.8747
830 JYD 0.8746
831 5ZZ 0.8744
832 TDR 0.8744
833 2GS 0.8744
834 7W1 0.8743
835 C2U 0.8743
836 42C 0.8742
837 6LW 0.8742
838 091 0.8742
839 IDM 0.8742
840 TGX 0.8741
841 G3P 0.8740
842 G3H 0.8740
843 AW5 0.8740
844 TH0 0.8740
845 FLA 0.8740
846 F1A 0.8740
847 9CA 0.8739
848 AKH 0.8738
849 92P 0.8738
850 B24 0.8737
851 4ME 0.8736
852 NPY 0.8736
853 9J3 0.8735
854 7Q1 0.8735
855 6M9 0.8734
856 GRE 0.8734
857 PYJ 0.8734
858 4ZE 0.8733
859 1P7 0.8733
860 3DY 0.8733
861 4BY 0.8733
862 NBE 0.8732
863 XBZ 0.8730
864 MT5 0.8730
865 DC5 0.8730
866 LZ1 0.8729
867 FDB 0.8728
868 ARB 0.8727
869 TZL 0.8726
870 ZBT 0.8726
871 GGL 0.8725
872 APY 0.8725
873 CPZ 0.8725
874 PTO 0.8725
875 4HC 0.8725
876 MPV 0.8724
877 24W 0.8724
878 9EW 0.8723
879 ADZ 0.8723
880 CWS 0.8722
881 9DA 0.8722
882 AZA 0.8721
883 TTY 0.8719
884 3R9 0.8719
885 2O6 0.8719
886 DBJ 0.8719
887 XXP 0.8718
888 R67 0.8718
889 XYD 0.8717
890 5UC 0.8717
891 7D2 0.8716
892 CFA 0.8715
893 MQN 0.8715
894 2YU 0.8715
895 TZE 0.8715
896 HQT 0.8714
897 KFH 0.8714
898 2AC 0.8713
899 NF3 0.8710
900 KJY 0.8709
901 NTN 0.8709
902 HL4 0.8707
903 0RW 0.8704
904 HBX 0.8704
905 1IT 0.8702
906 RAM 0.8702
907 6OT 0.8701
908 H8N 0.8701
909 ICT 0.8701
910 7VS 0.8701
911 RJY 0.8700
912 7WR 0.8700
913 DIU 0.8699
914 2CO 0.8698
915 M1E 0.8698
916 1DW 0.8697
917 R9Y 0.8697
918 ICP 0.8697
919 286 0.8697
920 TIU 0.8697
921 N2I 0.8696
922 PYD 0.8696
923 M4E 0.8695
924 5JC 0.8695
925 BZI 0.8695
926 BPN 0.8695
927 OW4 0.8695
928 NGT 0.8694
929 AZG 0.8694
930 NSG 0.8693
931 IND 0.8692
932 FPY 0.8692
933 DIE 0.8692
934 0A9 0.8691
935 P84 0.8690
936 XEN 0.8690
937 36Y 0.8689
938 2MP 0.8689
939 PXL 0.8688
940 HT4 0.8688
941 5AC 0.8688
942 34A 0.8686
943 SHG 0.8683
944 SRO 0.8682
945 MPI 0.8681
946 1MR 0.8681
947 6M1 0.8678
948 NGW 0.8678
949 AC5 0.8678
950 3HG 0.8677
951 7NI 0.8677
952 4CL 0.8676
953 9HX 0.8676
954 GAG 0.8675
955 4XH 0.8673
956 IOM 0.8672
957 M45 0.8672
958 DE5 0.8671
959 7VP 0.8671
960 7WA 0.8671
961 EGR 0.8670
962 HDA 0.8670
963 TM7 0.8669
964 4TE 0.8669
965 OA3 0.8669
966 5MH 0.8668
967 1AB 0.8668
968 L3Q 0.8666
969 5LA 0.8666
970 NPA 0.8665
971 JZ2 0.8665
972 E35 0.8665
973 UNC 0.8665
974 GBD 0.8665
975 13P 0.8665
976 AZ8 0.8664
977 BP1 0.8663
978 PRO 0.8662
979 XYP 0.8662
980 3ZB 0.8662
981 BZF 0.8661
982 7ME 0.8661
983 4JJ 0.8660
984 6R8 0.8660
985 CWJ 0.8660
986 8K2 0.8659
987 2A7 0.8659
988 GJP 0.8659
989 IPZ 0.8659
990 7MK 0.8658
991 C2Y 0.8658
992 0TU 0.8656
993 0CT 0.8656
994 DEN 0.8656
995 JZ3 0.8656
996 2CZ 0.8654
997 1U5 0.8653
998 2BX 0.8650
999 FUB 0.8649
1000 BTE 0.8649
1001 AMG 0.8648
1002 FQI 0.8647
1003 9SE 0.8646
1004 DA4 0.8645
1005 44W 0.8645
1006 NAG 0.8644
1007 OVP 0.8644
1008 5WU 0.8641
1009 RM4 0.8641
1010 43M 0.8638
1011 FCA 0.8638
1012 B53 0.8637
1013 ZZ3 0.8636
1014 BNT 0.8636
1015 44V 0.8635
1016 JZ9 0.8635
1017 1L5 0.8634
1018 B57 0.8634
1019 URP 0.8633
1020 PDC 0.8633
1021 TNX 0.8632
1022 PXM 0.8630
1023 GUA 0.8630
1024 LAO 0.8630
1025 BR9 0.8628
1026 C1M 0.8628
1027 M1Q 0.8627
1028 MUA 0.8627
1029 JXZ 0.8625
1030 27Y 0.8625
1031 NK 0.8625
1032 A2F 0.8624
1033 1U6 0.8624
1034 LSA 0.8624
1035 L7T 0.8621
1036 HLZ 0.8620
1037 SKG 0.8620
1038 R8A 0.8620
1039 J6W 0.8616
1040 259 0.8615
1041 9X7 0.8609
1042 EVF 0.8609
1043 6ME 0.8607
1044 9BF 0.8605
1045 MEW 0.8604
1046 8XL 0.8602
1047 PFB 0.8602
1048 4JC 0.8601
1049 OK7 0.8601
1050 XRG 0.8600
1051 9CL 0.8598
1052 BP9 0.8598
1053 MZW 0.8598
1054 GP9 0.8598
1055 ACH 0.8597
1056 1N4 0.8593
1057 TFB 0.8589
1058 MFB 0.8589
1059 FSG 0.8585
1060 3MG 0.8584
1061 PGA 0.8584
1062 T2C 0.8584
1063 UAN 0.8583
1064 8W9 0.8581
1065 PJW 0.8577
1066 FCB 0.8576
1067 AMC 0.8575
1068 FPI 0.8575
1069 GNL 0.8574
1070 0R0 0.8573
1071 BP3 0.8573
1072 IFG 0.8572
1073 HNQ 0.8572
1074 XH2 0.8571
1075 H76 0.8571
1076 0FN 0.8570
1077 M1H 0.8568
1078 TL6 0.8567
1079 PRS 0.8566
1080 HY3 0.8565
1081 IOS 0.8562
1082 R2B 0.8561
1083 HSM 0.8561
1084 IOP 0.8561
1085 282 0.8560
1086 PBE 0.8558
1087 IWT 0.8549
1088 HHT 0.8548
1089 PRF 0.8542
1090 ORN 0.8541
1091 SKA 0.8528
1092 AIN 0.8526
1093 TVP 0.8518
1094 64K 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XB8; Ligand: XNW; 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: 2xb8.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2XB8; Ligand: XNW; 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: 2xb8.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2XB8; Ligand: XNW; 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: 2xb8.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2XB8; Ligand: XNW; 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: 2xb8.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2XB8; Ligand: XNW; 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: 2xb8.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2XB8; Ligand: XNW; 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: 2xb8.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2XB8; Ligand: XNW; 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: 2xb8.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2XB8; Ligand: XNW; 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: 2xb8.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2XB8; Ligand: XNW; 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: 2xb8.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2XB8; Ligand: XNW; 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: 2xb8.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2XB8; Ligand: XNW; 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: 2xb8.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2XB8; Ligand: XNW; 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: 2xb8.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
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