Receptor
PDB id Resolution Class Description Source Keywords
5CBI 1.99 Å EC: 2.3.3.9 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTH COMPLEX WITH 5-CHLORO-2-HYDROXYBENZONITRILE MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) FRAGMENT COMPLEX ACETYLTRANSFERASE TRANSFERASE
Ref.: MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE STRUCTUR FRAGMENTS REVEAL A PORTAL FOR SUBSTRATE/PRODUCT EXC J. BIOL. CHEM. V. 291 27421 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4ZC A:804;
A:803;
A:805;
A:802;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
153.566 C7 H4 Cl N O c1cc(...
MG A:801;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6C6O 2.3 Å EC: 2.3.3.9 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTH COMPLEX WITH 2-BR-4-OH-PHENYLDIKETOACID MYCOBACTERIUM TUBERCULOSIS ACETYLTRANSFERASE STRUCTURAL GENOMICS TB STRUCTURAL GENOMICONSORTIUM TBSGC TRANSFERASE TRANSFERASE-TRANSFERASE INHCOMPLEX
Ref.: ANION-PI INTERACTIONS IN COMPUTER-AIDED DRUG DESIGN MODELING THE INHIBITION OF MALATE SYNTHASE BY PHENY ACIDS. J CHEM INF MODEL V. 58 2085 2018
Members (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6BU1 ic50 = 0.06 uM E9S C10 H7 Br O5 c1cc(c(c(c....
2 5C9W - 4Z3 C8 H7 Br N2 O2 c1ccc(c(c1....
3 6C8P ic50 = 0.2 uM EQA C10 H7 F O4 c1ccc(c(c1....
4 5DRC - 5ER C12 H9 N O4 c1ccc2c(c1....
5 5DX7 - 5H6 C8 H4 Cl N O3 S c1cc(sc1c2....
6 5ECV - 5M2 C13 H11 N O4 Cc1c2cc[nH....
7 5CBB - 4ZF C12 H9 N3 O2 c1ccc2c(c1....
8 5C7V - PYC C5 H4 N O2 c1cc([nH]c....
9 2GQ3 - MLT C4 H6 O5 C([C@H](C(....
10 5E9X - 5LA C7 H4 Cl N O2 S c1c2cc(sc2....
11 5C9U - 4Z1 C8 H6 Cl2 N2 O3 c1cc(c(cc1....
12 6BA7 ic50 = 0.007 uM D1Y C10 H7 Cl O5 c1cc(c(cc1....
13 5CBI - 4ZC C7 H4 Cl N O c1cc(c(cc1....
14 1N8I - GLV C2 H2 O3 C(=O)C(=O)....
15 5C9R - 4YZ C9 H9 Cl O2 S c1cc(ccc1S....
16 5CBJ - 4ZD C9 H8 O2 S c1ccc(cc1)....
17 5CAH - 4ZA C7 H5 N O2 S c1csc2c1cc....
18 5C9X - 4Z4 C7 H3 Cl2 F O2 c1c(c(cc(c....
19 6AS6 ic50 = 15.2 uM BSV C14 H14 O4 Cc1ccc(cc1....
20 5CJN - 52F C11 H10 N2 O3 c1ccc2c(c1....
21 6DNP ic50 = 6.6 uM GZV C11 H8 F2 O4 Cc1ccc(c(c....
22 5CCZ - 50C C10 H10 F N3 Cc1c(n[nH]....
23 6DKO ic50 = 1.6 uM GXG C10 H6 F2 O4 c1cc(c(c(c....
24 6C6O ic50 = 0.005 uM ENG C10 H7 Br O5 c1cc(c(cc1....
25 6APZ ic50 = 0.15 uM BQ4 C10 H8 O5 c1cc(cc(c1....
26 6AXB ic50 = 0.5 uM C0V C14 H10 O4 c1ccc2cc(c....
27 6C7B ic50 = 1.5 uM ENY C15 H12 O5 COc1ccc2cc....
28 5CEW - 6MW C9 H10 N2 O2 S c1cnccc1[C....
29 5CAK - 4Z9 C11 H11 N O3 c1ccc2c(c1....
30 6ASU ic50 = 6.1 uM BVS C11 H10 O4 Cc1ccc(cc1....
31 6AU9 ic50 = 1.1 uM BXS C12 H10 O6 c1cc2c(cc1....
32 5CJM - 4WL C7 H5 N O2 S c1csc2c1[n....
33 6DL9 ic50 = 1 uM GXD C10 H6 Cl2 O4 c1cc(c(c(c....
34 5T8G - 4Z0 C9 H6 O5 S c1cc(sc1)C....
70% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GQ3 - MLT C4 H6 O5 C([C@H](C(....
2 5E9X - 5LA C7 H4 Cl N O2 S c1c2cc(sc2....
3 5C9U - 4Z1 C8 H6 Cl2 N2 O3 c1cc(c(cc1....
4 6BA7 ic50 = 0.007 uM D1Y C10 H7 Cl O5 c1cc(c(cc1....
5 5CBI - 4ZC C7 H4 Cl N O c1cc(c(cc1....
6 1N8I - GLV C2 H2 O3 C(=O)C(=O)....
7 5C9R - 4YZ C9 H9 Cl O2 S c1cc(ccc1S....
8 5CBJ - 4ZD C9 H8 O2 S c1ccc(cc1)....
9 5CAH - 4ZA C7 H5 N O2 S c1csc2c1cc....
10 5C9X - 4Z4 C7 H3 Cl2 F O2 c1c(c(cc(c....
11 6AS6 ic50 = 15.2 uM BSV C14 H14 O4 Cc1ccc(cc1....
12 5CJN - 52F C11 H10 N2 O3 c1ccc2c(c1....
13 6DNP ic50 = 6.6 uM GZV C11 H8 F2 O4 Cc1ccc(c(c....
14 5CCZ - 50C C10 H10 F N3 Cc1c(n[nH]....
15 6DKO ic50 = 1.6 uM GXG C10 H6 F2 O4 c1cc(c(c(c....
16 6C6O ic50 = 0.005 uM ENG C10 H7 Br O5 c1cc(c(cc1....
17 6APZ ic50 = 0.15 uM BQ4 C10 H8 O5 c1cc(cc(c1....
18 6AXB ic50 = 0.5 uM C0V C14 H10 O4 c1ccc2cc(c....
19 1D8C - SOR C6 H14 O6 C([C@@H]([....
50% Homology Family (35)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6BU1 ic50 = 0.06 uM E9S C10 H7 Br O5 c1cc(c(c(c....
2 5C9W - 4Z3 C8 H7 Br N2 O2 c1ccc(c(c1....
3 6C8P ic50 = 0.2 uM EQA C10 H7 F O4 c1ccc(c(c1....
4 5DRC - 5ER C12 H9 N O4 c1ccc2c(c1....
5 5DX7 - 5H6 C8 H4 Cl N O3 S c1cc(sc1c2....
6 5ECV - 5M2 C13 H11 N O4 Cc1c2cc[nH....
7 5CBB - 4ZF C12 H9 N3 O2 c1ccc2c(c1....
8 5C7V - PYC C5 H4 N O2 c1cc([nH]c....
9 2GQ3 - MLT C4 H6 O5 C([C@H](C(....
10 5E9X - 5LA C7 H4 Cl N O2 S c1c2cc(sc2....
11 5C9U - 4Z1 C8 H6 Cl2 N2 O3 c1cc(c(cc1....
12 6BA7 ic50 = 0.007 uM D1Y C10 H7 Cl O5 c1cc(c(cc1....
13 5CBI - 4ZC C7 H4 Cl N O c1cc(c(cc1....
14 1N8I - GLV C2 H2 O3 C(=O)C(=O)....
15 5C9R - 4YZ C9 H9 Cl O2 S c1cc(ccc1S....
16 5CBJ - 4ZD C9 H8 O2 S c1ccc(cc1)....
17 5CAH - 4ZA C7 H5 N O2 S c1csc2c1cc....
18 5C9X - 4Z4 C7 H3 Cl2 F O2 c1c(c(cc(c....
19 6AS6 ic50 = 15.2 uM BSV C14 H14 O4 Cc1ccc(cc1....
20 5CJN - 52F C11 H10 N2 O3 c1ccc2c(c1....
21 6DNP ic50 = 6.6 uM GZV C11 H8 F2 O4 Cc1ccc(c(c....
22 5CCZ - 50C C10 H10 F N3 Cc1c(n[nH]....
23 6DKO ic50 = 1.6 uM GXG C10 H6 F2 O4 c1cc(c(c(c....
24 6C6O ic50 = 0.005 uM ENG C10 H7 Br O5 c1cc(c(cc1....
25 6APZ ic50 = 0.15 uM BQ4 C10 H8 O5 c1cc(cc(c1....
26 6AXB ic50 = 0.5 uM C0V C14 H10 O4 c1ccc2cc(c....
27 6C7B ic50 = 1.5 uM ENY C15 H12 O5 COc1ccc2cc....
28 5CEW - 6MW C9 H10 N2 O2 S c1cnccc1[C....
29 5CAK - 4Z9 C11 H11 N O3 c1ccc2c(c1....
30 6ASU ic50 = 6.1 uM BVS C11 H10 O4 Cc1ccc(cc1....
31 6AU9 ic50 = 1.1 uM BXS C12 H10 O6 c1cc2c(cc1....
32 5CJM - 4WL C7 H5 N O2 S c1csc2c1[n....
33 6DL9 ic50 = 1 uM GXD C10 H6 Cl2 O4 c1cc(c(c(c....
34 5T8G - 4Z0 C9 H6 O5 S c1cc(sc1)C....
35 1D8C - SOR C6 H14 O6 C([C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4ZC; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 4ZC 1 1
2 4CL 0.424242 0.68
3 5JC 0.411765 0.809524
4 0R0 0.4 0.809524
5 MZG 0.4 0.772727
Similar Ligands (3D)
Ligand no: 1; Ligand: 4ZC; Similar ligands found: 1075
No: Ligand Similarity coefficient
1 3Z7 0.9956
2 1DW 0.9746
3 AHR 0.9739
4 Y8I 0.9721
5 TM7 0.9677
6 R8S 0.9674
7 HT4 0.9665
8 F0J 0.9662
9 2YU 0.9656
10 V55 0.9650
11 XBZ 0.9640
12 MWJ 0.9638
13 9TZ 0.9630
14 BR9 0.9629
15 MWM 0.9626
16 XYP 0.9616
17 MCT 0.9613
18 4JJ 0.9598
19 SX1 0.9596
20 QOS 0.9593
21 A1U 0.9591
22 4ZE 0.9588
23 27Y 0.9585
24 TLD 0.9583
25 GTQ 0.9577
26 34A 0.9573
27 JZ3 0.9569
28 2AC 0.9567
29 5MK 0.9565
30 43M 0.9565
31 XYD 0.9564
32 1P7 0.9563
33 M2H 0.9563
34 54G 0.9562
35 2MP 0.9562
36 5M0 0.9560
37 6CS 0.9555
38 5RG 0.9553
39 4M4 0.9550
40 4HM 0.9548
41 JZ2 0.9547
42 G3F 0.9535
43 GLC 0.9526
44 TC7 0.9523
45 M1E 0.9520
46 F4Z 0.9520
47 3XX 0.9514
48 GCS 0.9508
49 5B1 0.9504
50 BGC 0.9502
51 PYD 0.9501
52 ICP 0.9501
53 2CQ 0.9499
54 7HQ 0.9496
55 URF 0.9491
56 NK 0.9485
57 EUG 0.9483
58 5MH 0.9477
59 4HO 0.9476
60 TH0 0.9470
61 42A 0.9467
62 CRS 0.9463
63 LZM 0.9461
64 0RW 0.9460
65 RM1 0.9455
66 45C 0.9454
67 WBU 0.9451
68 284 0.9450
69 150 0.9449
70 4H2 0.9447
71 B3R 0.9446
72 I3A 0.9441
73 6M9 0.9439
74 TDR 0.9436
75 RCO 0.9434
76 261 0.9433
77 F05 0.9431
78 1MC 0.9431
79 NOJ 0.9428
80 M3T 0.9426
81 3DO 0.9425
82 1WG 0.9421
83 4JO 0.9419
84 12M 0.9419
85 BZX 0.9418
86 8S0 0.9414
87 3CH 0.9408
88 HEW 0.9405
89 6AI 0.9403
90 BTE 0.9403
91 5UC 0.9401
92 25W 0.9398
93 GAL 0.9396
94 BVF 0.9395
95 RSF 0.9395
96 LG5 0.9393
97 7CZ 0.9390
98 9EW 0.9387
99 HX3 0.9384
100 4XR 0.9384
101 DIE 0.9384
102 HGQ 0.9382
103 5H1 0.9380
104 5MB 0.9378
105 2DR 0.9376
106 275 0.9375
107 CIG 0.9374
108 FRU 0.9371
109 C2A 0.9370
110 H76 0.9370
111 XQG 0.9367
112 Q88 0.9365
113 DTL 0.9364
114 23A 0.9363
115 URA 0.9363
116 NMJ 0.9361
117 JAE 0.9356
118 5MI 0.9354
119 P3K 0.9352
120 ES9 0.9351
121 286 0.9350
122 LG3 0.9349
123 14O 0.9347
124 KOJ 0.9344
125 F60 0.9341
126 3NT 0.9341
127 LXC 0.9341
128 CYT 0.9339
129 HPA 0.9338
130 SWD 0.9337
131 T6C 0.9336
132 HHQ 0.9334
133 9HX 0.9331
134 FP1 0.9329
135 8GF 0.9325
136 2K4 0.9322
137 6M4 0.9322
138 11S 0.9320
139 GAB 0.9319
140 23W 0.9318
141 FYU 0.9318
142 3ZQ 0.9315
143 24B 0.9312
144 35C 0.9311
145 5OB 0.9310
146 9MG 0.9307
147 6MP 0.9307
148 CWM 0.9307
149 M0W 0.9306
150 26D 0.9304
151 DFB 0.9304
152 WCE 0.9301
153 TBP 0.9300
154 5XC 0.9299
155 JB5 0.9299
156 G6D 0.9299
157 8H8 0.9298
158 ES5 0.9298
159 3BZ 0.9297
160 IUR 0.9296
161 BP1 0.9296
162 R8A 0.9292
163 7MH 0.9290
164 4FS 0.9289
165 BZ3 0.9288
166 3HB 0.9288
167 4CS 0.9288
168 3AB 0.9286
169 7W4 0.9286
170 1PT 0.9285
171 7HP 0.9283
172 COU 0.9282
173 PM6 0.9281
174 2AQ 0.9281
175 E7Z 0.9281
176 H4N 0.9279
177 C2U 0.9279
178 ES0 0.9278
179 BE2 0.9278
180 8GC 0.9278
181 RIB 0.9278
182 7VS 0.9276
183 5HN 0.9276
184 OVV 0.9275
185 9DG 0.9273
186 FK1 0.9272
187 03V 0.9272
188 6X8 0.9271
189 BRT 0.9269
190 OCH 0.9268
191 IGA 0.9266
192 SVN 0.9265
193 HMU 0.9265
194 3MB 0.9263
195 KJU 0.9261
196 GUN 0.9258
197 HLZ 0.9256
198 IJZ 0.9256
199 OVM 0.9255
200 AZA 0.9255
201 SAL 0.9253
202 G5V 0.9253
203 S76 0.9251
204 XAN 0.9247
205 6MH 0.9246
206 KT7 0.9244
207 2CH 0.9242
208 9DA 0.9242
209 47J 0.9241
210 LGC 0.9240
211 HXX 0.9239
212 DUB 0.9237
213 6AP 0.9236
214 0W8 0.9236
215 ADE 0.9233
216 KUF 0.9232
217 3DM 0.9230
218 ES4 0.9228
219 3CE 0.9228
220 BOA 0.9226
221 FOT 0.9226
222 A2F 0.9224
223 HTS 0.9223
224 UNC 0.9223
225 ISN 0.9223
226 ADZ 0.9223
227 3R6 0.9222
228 82I 0.9222
229 2CM 0.9221
230 BEW 0.9219
231 JZ0 0.9219
232 HMH 0.9218
233 YH7 0.9217
234 2MY 0.9216
235 290 0.9214
236 1XM 0.9214
237 2A7 0.9214
238 0TR 0.9214
239 XYS 0.9214
240 AZ8 0.9213
241 AZG 0.9212
242 H42 0.9212
243 6LW 0.9210
244 GYE 0.9210
245 94N 0.9209
246 G2F 0.9209
247 53C 0.9208
248 PE0 0.9206
249 DIU 0.9202
250 141 0.9197
251 MWP 0.9197
252 DMD 0.9196
253 938 0.9195
254 KKN 0.9195
255 ZZT 0.9195
256 N5J 0.9194
257 JIF 0.9194
258 JBE 0.9193
259 10L 0.9192
260 ES6 0.9191
261 4HC 0.9191
262 JZ1 0.9191
263 HH8 0.9190
264 VNL 0.9190
265 KJY 0.9188
266 FUC 0.9188
267 CHB 0.9186
268 7WA 0.9185
269 0MK 0.9185
270 NSP 0.9185
271 2EC 0.9185
272 M6N 0.9184
273 VNJ 0.9184
274 OXE 0.9184
275 2AF 0.9183
276 3MG 0.9183
277 40O 0.9181
278 3U4 0.9180
279 MEW 0.9180
280 5WV 0.9180
281 TM4 0.9180
282 JA8 0.9179
283 8NY 0.9178
284 CAQ 0.9178
285 AQO 0.9176
286 J9W 0.9176
287 93Q 0.9175
288 1XX 0.9174
289 AMC 0.9174
290 YAN 0.9173
291 RIP 0.9170
292 2ZX 0.9168
293 3ID 0.9168
294 6GU 0.9167
295 JPZ 0.9167
296 DFU 0.9166
297 4Z4 0.9163
298 2D0 0.9163
299 3SK 0.9163
300 AKH 0.9162
301 DX4 0.9160
302 CFP 0.9160
303 4XH 0.9158
304 QUZ 0.9158
305 AZF 0.9158
306 ES1 0.9156
307 HJP 0.9156
308 Q24 0.9155
309 JBH 0.9155
310 F81 0.9154
311 IFM 0.9154
312 JKE 0.9153
313 CWS 0.9152
314 MBD 0.9151
315 ASO 0.9150
316 Q6T 0.9150
317 EYK 0.9149
318 4MU 0.9148
319 5IQ 0.9147
320 PKU 0.9146
321 AGK 0.9146
322 DBJ 0.9145
323 BSX 0.9145
324 MRW 0.9145
325 1LQ 0.9144
326 7B4 0.9144
327 5SG 0.9142
328 M5K 0.9141
329 2C9 0.9140
330 ES7 0.9140
331 FCA 0.9140
332 1AN 0.9139
333 5Q0 0.9139
334 ICO 0.9138
335 XXR 0.9137
336 4SV 0.9136
337 F31 0.9136
338 F9Y 0.9135
339 4SD 0.9135
340 XRG 0.9132
341 92Z 0.9132
342 3M0 0.9132
343 FUL 0.9131
344 8LG 0.9130
345 TCZ 0.9130
346 DUC 0.9129
347 0CU 0.9128
348 GIF 0.9128
349 PYG 0.9126
350 1SQ 0.9125
351 JFJ 0.9124
352 DBH 0.9122
353 5RN 0.9122
354 ABV 0.9121
355 5ZE 0.9121
356 EA1 0.9121
357 L89 0.9120
358 A7W 0.9120
359 3HA 0.9120
360 13X 0.9119
361 II6 0.9118
362 FE DB1 0.9117
363 AJ2 0.9116
364 FPI 0.9116
365 76X 0.9115
366 1XN 0.9114
367 DBX 0.9114
368 MR1 0.9114
369 3MC 0.9113
370 PXL 0.9112
371 Z6J 0.9111
372 0P6 0.9111
373 4YS 0.9110
374 1U6 0.9109
375 QSB 0.9108
376 SHG 0.9108
377 HQY 0.9107
378 24W 0.9107
379 5GU 0.9105
380 3OC 0.9105
381 NPY 0.9103
382 IDH 0.9103
383 P9P 0.9103
384 DIN 0.9102
385 3F0 0.9102
386 2XX 0.9102
387 HH5 0.9101
388 XBT 0.9101
389 7NI 0.9100
390 GMN 0.9100
391 RJY 0.9099
392 ABN 0.9098
393 J9T 0.9097
394 3FA 0.9095
395 FP2 0.9094
396 ERH 0.9093
397 3AY 0.9093
398 MYJ 0.9092
399 KBB 0.9092
400 M1Q 0.9092
401 42C 0.9091
402 9TW 0.9091
403 2LP 0.9091
404 EXO 0.9090
405 YIO 0.9089
406 FLM 0.9088
407 M0Q 0.9085
408 7VJ 0.9083
409 285 0.9082
410 FFP 0.9080
411 4NC 0.9080
412 6UA 0.9080
413 IHB 0.9077
414 270 0.9075
415 BCP 0.9074
416 SYV 0.9073
417 NCD 0.9073
418 AX7 0.9072
419 ZWZ 0.9072
420 KIB 0.9072
421 VOH 0.9071
422 AX2 0.9071
423 UEG 0.9071
424 8CM 0.9070
425 ALL 0.9070
426 XYL 0.9069
427 RB5 0.9069
428 2H5 0.9069
429 GBD 0.9067
430 8WT 0.9067
431 R9S 0.9067
432 IFL 0.9065
433 XQ0 0.9064
434 IP0 0.9064
435 XX2 0.9063
436 ES2 0.9063
437 HBX 0.9063
438 OW4 0.9059
439 1NP 0.9059
440 TSS 0.9059
441 GCU 0.9059
442 4A3 0.9058
443 5CL 0.9058
444 MZW 0.9057
445 NEQ 0.9056
446 VGD 0.9055
447 1WD 0.9053
448 DHB 0.9051
449 FHB 0.9051
450 INO 0.9051
451 PRY 0.9050
452 ADK 0.9050
453 3MA 0.9050
454 JFD 0.9050
455 PDC 0.9050
456 BDP 0.9050
457 NNO 0.9049
458 5AN 0.9049
459 14J 0.9048
460 O72 0.9048
461 2MI 0.9047
462 BMA 0.9047
463 1P8 0.9046
464 NOY 0.9046
465 DGJ 0.9042
466 H3M 0.9041
467 PFB 0.9039
468 WOO 0.9034
469 DEN 0.9033
470 G4D 0.9031
471 TH7 0.9030
472 ISZ 0.9029
473 GT0 0.9029
474 3HM 0.9028
475 F5B 0.9028
476 IND 0.9027
477 ORO 0.9027
478 WDL 0.9026
479 OXZ 0.9026
480 PXM 0.9026
481 BR8 0.9025
482 75K 0.9024
483 7WV 0.9022
484 PYF 0.9022
485 KBG 0.9022
486 5WX 0.9022
487 P92 0.9021
488 AEH 0.9021
489 8TX 0.9020
490 EQT 0.9019
491 GOO 0.9018
492 282 0.9017
493 HBA 0.9017
494 2MN 0.9016
495 NBE 0.9015
496 BEZ 0.9015
497 NIZ 0.9015
498 RAM 0.9014
499 ZZ3 0.9013
500 CLW 0.9013
501 YCP 0.9012
502 DRL 0.9011
503 3Z8 0.9011
504 LKA 0.9011
505 SYN 0.9010
506 OXC 0.9008
507 3MH 0.9008
508 JND 0.9008
509 ET2 0.9007
510 64K 0.9007
511 URC 0.9006
512 GAG 0.9005
513 FUF 0.9005
514 YTB 0.9005
515 DNF 0.9004
516 BHO 0.9004
517 7ZE 0.9003
518 93K 0.9001
519 5WY 0.9001
520 JBK 0.9000
521 5NU 0.8999
522 GVH 0.8997
523 2ZQ 0.8996
524 4AA 0.8996
525 2FG 0.8996
526 2HO 0.8995
527 5CU 0.8993
528 BZI 0.8993
529 ABE 0.8993
530 FAN 0.8992
531 G3E 0.8991
532 GLA 0.8991
533 5JL 0.8989
534 FDB 0.8989
535 5VM 0.8989
536 60P 0.8989
537 L3Q 0.8989
538 1LM 0.8988
539 MO8 0.8988
540 JLZ 0.8987
541 BZF 0.8987
542 IT2 0.8986
543 0R1 0.8985
544 OVP 0.8984
545 M58 0.8983
546 JZ4 0.8983
547 SOE 0.8983
548 B55 0.8982
549 IDM 0.8982
550 2CK 0.8982
551 B53 0.8982
552 4JT 0.8980
553 SF6 0.8980
554 MPI 0.8979
555 HLR 0.8979
556 FA0 0.8979
557 M2K 0.8979
558 86J 0.8976
559 1P3 0.8976
560 0CT 0.8975
561 36R 0.8974
562 NBZ 0.8974
563 2AL 0.8973
564 4JP 0.8972
565 IV2 0.8971
566 HHA 0.8971
567 F12 0.8970
568 2HQ 0.8969
569 TFU 0.8968
570 GCB 0.8968
571 OMD 0.8967
572 EVA 0.8967
573 GXY 0.8966
574 D1X 0.8966
575 UAN 0.8964
576 DOB 0.8963
577 QWN 0.8962
578 BHA 0.8961
579 AW5 0.8961
580 LZ1 0.8961
581 OAA 0.8961
582 BTY 0.8960
583 5JQ 0.8959
584 E60 0.8958
585 PRZ 0.8958
586 NDM 0.8957
587 DIG 0.8957
588 OXQ 0.8957
589 YSO 0.8956
590 SRO 0.8956
591 PZI 0.8956
592 ARB 0.8954
593 MLT 0.8954
594 3PF 0.8954
595 4M0 0.8953
596 MAN 0.8953
597 FBM 0.8952
598 717 0.8952
599 ZBT 0.8952
600 1LN 0.8951
601 DHK 0.8951
602 H7Y 0.8950
603 149 0.8949
604 8IG 0.8947
605 XCZ 0.8946
606 PY7 0.8944
607 LDP 0.8941
608 QXW 0.8940
609 RD4 0.8940
610 6HQ 0.8938
611 4XV 0.8937
612 34D 0.8937
613 FQI 0.8936
614 OW7 0.8936
615 TAR 0.8936
616 FPY 0.8935
617 BEN 0.8935
618 6PC 0.8934
619 GIO 0.8933
620 XM0 0.8932
621 IPZ 0.8931
622 7ME 0.8930
623 SF9 0.8930
624 PD2 0.8930
625 DOR 0.8929
626 5AC 0.8925
627 PZA 0.8923
628 B60 0.8922
629 AH8 0.8920
630 PHB 0.8920
631 NFQ 0.8915
632 32X 0.8911
633 DMJ 0.8910
634 SHA 0.8910
635 LCN 0.8910
636 LT2 0.8910
637 39A 0.8910
638 92K 0.8910
639 RSO 0.8909
640 MSN 0.8909
641 4XS 0.8908
642 069 0.8908
643 HPY 0.8908
644 KIA 0.8908
645 AC0 0.8907
646 HY3 0.8907
647 RM4 0.8906
648 6F0 0.8905
649 SR1 0.8905
650 M1A 0.8903
651 TWO 0.8903
652 8G0 0.8902
653 42J 0.8902
654 SOR 0.8902
655 2BG 0.8900
656 1MR 0.8900
657 J5I 0.8900
658 H8N 0.8899
659 7WR 0.8899
660 SMV 0.8897
661 SE2 0.8897
662 3IT 0.8897
663 SJ5 0.8897
664 IF7 0.8894
665 ECE 0.8891
666 LRH 0.8890
667 VGL 0.8888
668 NIO 0.8888
669 AJV 0.8887
670 BAM 0.8886
671 GIV 0.8886
672 MAQ 0.8885
673 0JD 0.8884
674 TIU 0.8884
675 BK9 0.8883
676 XAZ 0.8883
677 3WA 0.8883
678 9X7 0.8882
679 51R 0.8882
680 7W1 0.8882
681 FBW 0.8882
682 MFB 0.8881
683 NCA 0.8880
684 J1Z 0.8877
685 D48 0.8876
686 CWJ 0.8875
687 XUL 0.8873
688 95Z 0.8873
689 6M1 0.8872
690 GRE 0.8870
691 EOL 0.8870
692 SS1 0.8870
693 MNM 0.8869
694 RNS 0.8868
695 1F1 0.8867
696 KDV 0.8866
697 2A9 0.8865
698 4VP 0.8865
699 UNU 0.8864
700 0F9 0.8864
701 MUA 0.8863
702 GOJ 0.8861
703 12B 0.8861
704 LFR 0.8861
705 NTN 0.8861
706 XIY 0.8861
707 IPB 0.8860
708 KYD 0.8860
709 YHO 0.8860
710 ISE 0.8860
711 AS3 0.8859
712 F3B 0.8859
713 4XX 0.8859
714 N2I 0.8857
715 QAT 0.8856
716 6VD 0.8856
717 N8Y 0.8855
718 8ZE 0.8854
719 173 0.8854
720 GDE 0.8853
721 5QY 0.8852
722 HIS 0.8852
723 67N 0.8851
724 URQ 0.8851
725 5RO 0.8850
726 4ME 0.8850
727 CFI 0.8849
728 AZ9 0.8848
729 HA5 0.8848
730 HQD 0.8847
731 SXS 0.8846
732 45L 0.8846
733 MBG 0.8846
734 FPK 0.8846
735 LYL 0.8844
736 PEA 0.8844
737 7MU 0.8842
738 ARA 0.8841
739 FDK 0.8840
740 INS 0.8840
741 GZL 0.8840
742 HAI 0.8839
743 X6X 0.8838
744 EV0 0.8837
745 TZE 0.8837
746 0HO 0.8835
747 24T 0.8835
748 GV9 0.8832
749 GXL 0.8831
750 GLT 0.8830
751 TMT 0.8829
752 CXF 0.8829
753 7B3 0.8828
754 TMZ 0.8828
755 265 0.8827
756 PCA 0.8825
757 PA1 0.8823
758 TP5 0.8823
759 FGZ 0.8821
760 FBV 0.8820
761 GAF 0.8819
762 69O 0.8818
763 QSH 0.8818
764 GLY PRO 0.8818
765 GJS 0.8817
766 MXN 0.8816
767 8OZ 0.8816
768 1GN 0.8815
769 2HU 0.8814
770 CXL 0.8813
771 GM7 0.8811
772 1M2 0.8810
773 DHR 0.8808
774 ABI 0.8807
775 5QX 0.8806
776 9CL 0.8806
777 GZ8 0.8805
778 PBC 0.8805
779 QPR 0.8803
780 SKM 0.8803
781 280 0.8803
782 FH2 0.8802
783 2MH 0.8800
784 QBK 0.8799
785 0HN 0.8798
786 7N0 0.8798
787 MFU 0.8798
788 GOX 0.8797
789 D07 0.8794
790 3A9 0.8792
791 QSC 0.8790
792 6RQ 0.8790
793 DHQ 0.8790
794 KPL 0.8789
795 5NI 0.8788
796 2ZV 0.8787
797 PCI 0.8787
798 GXE 0.8787
799 6NT 0.8786
800 2ZM 0.8785
801 PYJ 0.8784
802 DHS 0.8783
803 APY 0.8783
804 SWA 0.8782
805 DQN 0.8781
806 278 0.8781
807 CYS 0.8781
808 1AL 0.8780
809 JZ9 0.8780
810 BBF 0.8780
811 FBB 0.8780
812 HQT 0.8780
813 QAS 0.8779
814 PSV 0.8779
815 B57 0.8778
816 YQA 0.8777
817 ZB1 0.8777
818 C2B 0.8777
819 K2T 0.8775
820 IBF 0.8775
821 INE 0.8774
822 MS9 0.8774
823 4HS 0.8773
824 SKA 0.8773
825 T9G 0.8773
826 DA4 0.8772
827 MT0 0.8772
828 O7U 0.8771
829 FCB 0.8770
830 495 0.8770
831 X09 0.8770
832 4TU 0.8769
833 ASN 0.8768
834 NID 0.8767
835 HQ9 0.8767
836 3NY 0.8765
837 GLF 0.8761
838 PCR 0.8761
839 0LH 0.8761
840 CN0 0.8761
841 F9P 0.8760
842 260 0.8760
843 4JL 0.8756
844 ASP 0.8755
845 BCF 0.8754
846 HZQ 0.8753
847 QX2 0.8750
848 3RK 0.8750
849 12Q 0.8747
850 JAB 0.8747
851 PYC 0.8747
852 HSE 0.8747
853 B24 0.8744
854 HIU 0.8744
855 23J 0.8743
856 LSA 0.8743
857 DEE 0.8743
858 SFU 0.8743
859 9KH 0.8743
860 NTZ 0.8743
861 PLQ 0.8742
862 KJH 0.8740
863 NPO 0.8740
864 HIO 0.8740
865 6NI 0.8738
866 MAK 0.8738
867 4CH 0.8737
868 LG4 0.8735
869 C2Y 0.8734
870 TTO 0.8734
871 FOA 0.8733
872 DMG 0.8733
873 FPN 0.8732
874 P4B 0.8732
875 XLS 0.8732
876 JBN 0.8732
877 HQE 0.8732
878 2AK 0.8731
879 25R 0.8731
880 JZ5 0.8731
881 FBA 0.8730
882 PXY 0.8730
883 C21 0.8728
884 R2B 0.8728
885 PIH 0.8728
886 TZC 0.8727
887 AUD 0.8727
888 JAW 0.8726
889 BML 0.8726
890 KG7 0.8723
891 QWW 0.8722
892 4SX 0.8721
893 CGB 0.8721
894 4JN 0.8719
895 LER 0.8719
896 6R8 0.8718
897 K5W 0.8717
898 HFB 0.8717
899 PHT 0.8716
900 XHP 0.8715
901 8CL 0.8715
902 DYA 0.8713
903 HGW 0.8713
904 MZB 0.8712
905 JB8 0.8711
906 1DU 0.8711
907 JDN 0.8710
908 4JU 0.8710
909 APZ 0.8709
910 TTY 0.8709
911 URP 0.8709
912 4FH 0.8708
913 PAF 0.8706
914 2KT 0.8705
915 PBR 0.8703
916 IPH 0.8703
917 9FE 0.8701
918 8WO 0.8701
919 091 0.8701
920 I1N 0.8699
921 ONR 0.8697
922 VXX 0.8697
923 92P 0.8696
924 MBN 0.8696
925 RMN 0.8696
926 329 0.8695
927 ICC 0.8695
928 OHP 0.8695
929 DNC 0.8694
930 NTM 0.8694
931 DA1 0.8694
932 FUD 0.8694
933 3BU 0.8692
934 BDF 0.8691
935 IOL 0.8690
936 0N7 0.8690
937 9PY 0.8690
938 4YO 0.8689
939 MQN 0.8689
940 PFL 0.8689
941 C5J 0.8689
942 CIT 0.8689
943 NVU 0.8689
944 CTL 0.8688
945 R8V 0.8688
946 LDU 0.8687
947 TEP 0.8687
948 TEO 0.8687
949 0FO 0.8685
950 X0V 0.8684
951 P2D 0.8683
952 RNT 0.8682
953 KSW 0.8681
954 CTS 0.8681
955 CIZ 0.8679
956 IFP 0.8677
957 VK3 0.8676
958 KLW 0.8676
959 R9Y 0.8676
960 44W 0.8675
961 TTL 0.8675
962 OHG 0.8675
963 2PC 0.8674
964 32O 0.8671
965 SRT 0.8669
966 NQ 0.8668
967 GTR 0.8668
968 CEJ 0.8667
969 1X7 0.8666
970 PEL 0.8666
971 MLA 0.8665
972 MB3 0.8665
973 PRO 0.8664
974 HHN 0.8663
975 NDH 0.8662
976 MLI 0.8661
977 BNS 0.8659
978 463 0.8659
979 SS2 0.8657
980 MVN 0.8654
981 B62 0.8654
982 4A5 0.8654
983 FSW 0.8653
984 2TQ 0.8651
985 WOT 0.8650
986 4VY 0.8650
987 DTI 0.8649
988 EKZ 0.8646
989 3AL 0.8642
990 ZXD 0.8642
991 JBQ 0.8641
992 0TU 0.8640
993 HYN 0.8639
994 M4E 0.8636
995 AJY 0.8634
996 LMR 0.8633
997 4JQ 0.8632
998 HLD 0.8632
999 YRL 0.8632
1000 3FH 0.8631
1001 PAB 0.8631
1002 QX4 0.8630
1003 TLA 0.8628
1004 3AP 0.8628
1005 3PY 0.8628
1006 RBL 0.8627
1007 RXA 0.8627
1008 MMZ 0.8626
1009 ASC 0.8624
1010 J9Q 0.8624
1011 CFF 0.8622
1012 KP6 0.8620
1013 1AB 0.8620
1014 A13 0.8619
1015 15E 0.8619
1016 948 0.8618
1017 EJZ 0.8618
1018 37T 0.8617
1019 4AP 0.8616
1020 HNQ 0.8615
1021 RUU 0.8615
1022 2AP 0.8614
1023 HVK 0.8614
1024 SVD 0.8613
1025 OTW 0.8611
1026 9FL 0.8610
1027 JUG 0.8606
1028 AMG 0.8605
1029 PEY 0.8602
1030 D3M 0.8602
1031 51F 0.8602
1032 4JM 0.8600
1033 P84 0.8600
1034 0GZ 0.8600
1035 BEA 0.8599
1036 P72 0.8599
1037 DQU 0.8598
1038 HBD 0.8596
1039 PBZ 0.8594
1040 1Y6 0.8593
1041 25T 0.8593
1042 4AV 0.8589
1043 44V 0.8589
1044 SW7 0.8588
1045 1DV 0.8588
1046 4P5 0.8586
1047 X05 0.8580
1048 FBT 0.8580
1049 0XT 0.8578
1050 8XQ 0.8576
1051 FB1 0.8575
1052 PHU 0.8573
1053 LGA 0.8571
1054 AEF 0.8570
1055 4MA 0.8570
1056 PRF 0.8570
1057 HRZ 0.8568
1058 E1T 0.8565
1059 5NE 0.8563
1060 MJ2 0.8560
1061 PQ0 0.8555
1062 VPR 0.8554
1063 LNR 0.8553
1064 CRN 0.8553
1065 Z82 0.8549
1066 9PO 0.8548
1067 HQJ 0.8545
1068 HSM 0.8541
1069 PYQ 0.8534
1070 ABA 0.8532
1071 KFH 0.8531
1072 OA3 0.8530
1073 AAE 0.8530
1074 KYA 0.8513
1075 MHK 0.8502
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6C6O; Ligand: ENG; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 6c6o.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 4L9Z OXL 5.01475
2 4L9Z OXL 5.01475
3 4L9Z OXL 5.01475
4 4L9Z OXL 5.01475
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