Receptor
PDB id Resolution Class Description Source Keywords
5C9X 2.1 Å EC: 2.3.3.9 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTH COMPLEX WITH 2,4-DICHLORO-5-FLUOROBENZOIC ACID MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) FRAGMENT COMPLEX 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
MG A:803;
A:802;
A:801;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
24.305 Mg [Mg+2...
4Z4 A:804;
 Valid;
 none;
 submit data
209.002 C7 H3 Cl2 F O2 c1c(c...
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: 4Z4; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4Z4 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 4Z4; Similar ligands found: 1164
No: Ligand Similarity coefficient
1 SRT 1.0000
2 E7Z 0.9887
3 BDP 0.9670
4 4M0 0.9662
5 BGC 0.9656
6 4NC 0.9651
7 BHA 0.9648
8 DOB 0.9643
9 GTQ 0.9640
10 DHB 0.9624
11 JLZ 0.9621
12 INO 0.9621
13 FA0 0.9618
14 5RG 0.9609
15 P9P 0.9603
16 4A3 0.9602
17 5M0 0.9601
18 MYJ 0.9601
19 3HM 0.9600
20 CHB 0.9599
21 6CS 0.9598
22 GLC 0.9596
23 9TZ 0.9588
24 MUA 0.9584
25 GCU 0.9579
26 FHB 0.9574
27 NNO 0.9569
28 5QY 0.9566
29 54G 0.9564
30 EVA 0.9552
31 93K 0.9551
32 3PF 0.9550
33 5CU 0.9544
34 9TW 0.9541
35 0FO 0.9532
36 XX2 0.9524
37 15L 0.9523
38 2HO 0.9521
39 GAL 0.9520
40 G3E 0.9515
41 QSB 0.9511
42 86J 0.9510
43 G3F 0.9509
44 M2K 0.9508
45 5WV 0.9504
46 IPB 0.9502
47 LT2 0.9502
48 D48 0.9497
49 2AK 0.9496
50 5NU 0.9491
51 8S0 0.9489
52 AJV 0.9482
53 J5I 0.9472
54 KUF 0.9472
55 QX4 0.9471
56 SE2 0.9469
57 3DO 0.9466
58 5MK 0.9464
59 ES7 0.9464
60 GCS 0.9460
61 IHB 0.9458
62 KKN 0.9455
63 5RN 0.9451
64 DIN 0.9449
65 0P6 0.9448
66 KJY 0.9440
67 B62 0.9440
68 VNL 0.9438
69 2HQ 0.9433
70 XHP 0.9431
71 SX1 0.9427
72 ICO 0.9423
73 39O 0.9423
74 8CM 0.9421
75 GXY 0.9421
76 KT7 0.9420
77 5RO 0.9416
78 MRW 0.9416
79 TTL 0.9416
80 ISN 0.9414
81 INE 0.9413
82 CWS 0.9412
83 R8V 0.9411
84 4AA 0.9409
85 BE2 0.9408
86 EA1 0.9405
87 5OB 0.9402
88 9MG 0.9402
89 37T 0.9399
90 DQU 0.9398
91 F31 0.9393
92 SAL 0.9390
93 HXX 0.9390
94 GDE 0.9387
95 7W1 0.9385
96 8WO 0.9384
97 0HO 0.9381
98 X0V 0.9381
99 ODO 0.9380
100 12Q 0.9379
101 MS9 0.9378
102 AZ9 0.9374
103 COU 0.9373
104 MQN 0.9371
105 GCB 0.9370
106 MVN 0.9370
107 3A9 0.9369
108 6ME 0.9369
109 173 0.9369
110 H42 0.9369
111 TOF 0.9369
112 4CS 0.9369
113 VNJ 0.9368
114 A7W 0.9366
115 HQD 0.9364
116 AJ2 0.9362
117 1F1 0.9358
118 OCH 0.9358
119 7W4 0.9358
120 4JQ 0.9358
121 0TU 0.9356
122 4YO 0.9354
123 QBK 0.9353
124 B60 0.9351
125 LNR 0.9351
126 4SX 0.9351
127 SKA 0.9351
128 6NT 0.9350
129 XQ0 0.9349
130 2AQ 0.9349
131 2ZM 0.9346
132 PE0 0.9346
133 AZ8 0.9344
134 G5V 0.9344
135 ALL 0.9344
136 JKE 0.9344
137 0HN 0.9343
138 OTW 0.9342
139 J9W 0.9342
140 4FS 0.9341
141 7WV 0.9341
142 1DW 0.9339
143 JB5 0.9338
144 Q24 0.9337
145 UNC 0.9337
146 SVN 0.9337
147 GYE 0.9337
148 NID 0.9336
149 03V 0.9335
150 ES5 0.9334
151 DHK 0.9334
152 M5K 0.9333
153 L99 0.9331
154 FOT 0.9331
155 PHB 0.9331
156 44W 0.9328
157 NPO 0.9327
158 ES6 0.9325
159 2HU 0.9322
160 M1A 0.9322
161 MAQ 0.9318
162 1P7 0.9318
163 3HB 0.9317
164 DMD 0.9316
165 7HQ 0.9315
166 0N7 0.9314
167 1NP 0.9314
168 I3A 0.9313
169 HBD 0.9313
170 92K 0.9312
171 BEA 0.9312
172 3NT 0.9311
173 3NY 0.9310
174 PXL 0.9310
175 4HC 0.9309
176 4SV 0.9309
177 IJZ 0.9307
178 IFP 0.9307
179 HQT 0.9305
180 HMH 0.9303
181 2FY 0.9303
182 BZ3 0.9301
183 5NI 0.9301
184 15N 0.9301
185 QWN 0.9301
186 AQO 0.9300
187 2CQ 0.9300
188 5WY 0.9300
189 3OC 0.9300
190 TH7 0.9297
191 4MA 0.9296
192 GAB 0.9294
193 ADZ 0.9293
194 32X 0.9292
195 GZL 0.9292
196 3Z8 0.9291
197 PAB 0.9289
198 5QX 0.9288
199 44V 0.9286
200 B57 0.9284
201 ZZT 0.9284
202 3IT 0.9284
203 3ID 0.9283
204 JBE 0.9282
205 6M4 0.9282
206 1Y6 0.9281
207 MWP 0.9281
208 URC 0.9279
209 9FL 0.9278
210 2D0 0.9276
211 PBZ 0.9276
212 VK3 0.9276
213 NMJ 0.9276
214 24B 0.9276
215 4TU 0.9275
216 PYQ 0.9275
217 0W8 0.9275
218 67N 0.9274
219 SKM 0.9274
220 FGZ 0.9273
221 6M9 0.9273
222 HMU 0.9272
223 MEW 0.9272
224 DNF 0.9271
225 2FQ 0.9270
226 174 0.9270
227 9PY 0.9269
228 7B4 0.9268
229 091 0.9267
230 HJP 0.9266
231 3U4 0.9265
232 FYU 0.9265
233 1SQ 0.9264
234 826 0.9263
235 Z82 0.9263
236 M1Q 0.9260
237 OVV 0.9259
238 5XC 0.9257
239 1LQ 0.9256
240 24W 0.9255
241 J9Q 0.9254
242 KBB 0.9254
243 LGC 0.9252
244 AHR 0.9252
245 QSH 0.9249
246 IV2 0.9249
247 MO8 0.9248
248 8GC 0.9248
249 6NI 0.9247
250 9R5 0.9246
251 1LM 0.9245
252 M4E 0.9244
253 5HN 0.9244
254 APZ 0.9241
255 Q6T 0.9240
256 9CA 0.9240
257 EYK 0.9239
258 7NI 0.9239
259 TGX 0.9239
260 FBB 0.9238
261 DBH 0.9237
262 TTY 0.9237
263 15E 0.9236
264 RM1 0.9235
265 DBX 0.9234
266 SHG 0.9233
267 4M4 0.9233
268 C2U 0.9231
269 QXW 0.9231
270 PDC 0.9230
271 J9T 0.9230
272 WOO 0.9230
273 4XR 0.9230
274 AMH 0.9229
275 1WD 0.9228
276 3HA 0.9227
277 GTR 0.9227
278 92P 0.9225
279 7ZE 0.9225
280 K2T 0.9225
281 KOJ 0.9223
282 RXA 0.9223
283 A29 0.9221
284 HH8 0.9221
285 HX3 0.9220
286 F05 0.9218
287 8H8 0.9217
288 BTY 0.9217
289 ES1 0.9217
290 DHQ 0.9213
291 R9Y 0.9212
292 JAW 0.9211
293 NQ 0.9211
294 SHA 0.9210
295 5IQ 0.9210
296 5SG 0.9208
297 B55 0.9208
298 KJH 0.9207
299 AC6 0.9207
300 3AB 0.9206
301 C2Y 0.9205
302 ABI 0.9205
303 0JD 0.9205
304 GVG 0.9205
305 PEY 0.9204
306 53C 0.9204
307 O72 0.9204
308 3Z7 0.9204
309 2EC 0.9204
310 3MB 0.9203
311 3F0 0.9203
312 DRL 0.9203
313 5Q0 0.9201
314 EKZ 0.9200
315 TWO 0.9200
316 JPZ 0.9199
317 1IT 0.9198
318 150 0.9197
319 2ZQ 0.9195
320 BZJ 0.9195
321 Z5P 0.9194
322 N5J 0.9191
323 4YS 0.9189
324 WCE 0.9189
325 CLZ 0.9189
326 BRT 0.9189
327 V55 0.9188
328 HQY 0.9187
329 JBH 0.9187
330 2LY 0.9186
331 AZA 0.9186
332 MR1 0.9185
333 4JT 0.9183
334 SW7 0.9182
335 FDR 0.9182
336 4XH 0.9180
337 9EW 0.9180
338 7VS 0.9177
339 OVM 0.9175
340 NSP 0.9175
341 97T 0.9175
342 1KP 0.9173
343 4MU 0.9173
344 45C 0.9173
345 1WG 0.9172
346 ORO 0.9172
347 UFO 0.9172
348 PD2 0.9171
349 N8Y 0.9171
350 XAZ 0.9171
351 0RW 0.9171
352 BNT 0.9171
353 CH9 0.9171
354 GCW 0.9170
355 8TX 0.9170
356 E1T 0.9169
357 069 0.9169
358 QUZ 0.9168
359 UAN 0.9166
360 NOJ 0.9166
361 QPR 0.9165
362 4FH 0.9164
363 3SK 0.9164
364 4ZC 0.9163
365 F4Z 0.9162
366 D07 0.9161
367 CLW 0.9161
368 CFF 0.9161
369 LDP 0.9160
370 5B1 0.9160
371 LZM 0.9159
372 9DG 0.9159
373 IFL 0.9159
374 ASO 0.9156
375 25W 0.9155
376 JAE 0.9154
377 TC7 0.9154
378 1P8 0.9154
379 NTZ 0.9154
380 IP0 0.9153
381 CN0 0.9152
382 RMN 0.9151
383 7MU 0.9150
384 9ZE 0.9150
385 8IG 0.9150
386 SOR 0.9150
387 CTL 0.9149
388 NPY 0.9148
389 G6D 0.9148
390 FE DB1 0.9147
391 KBG 0.9147
392 23J 0.9146
393 IGA 0.9145
394 ES2 0.9145
395 N2I 0.9143
396 7MX 0.9142
397 UFV 0.9142
398 8G0 0.9141
399 DIU 0.9141
400 PNZ 0.9140
401 42C 0.9139
402 8ZE 0.9139
403 1XN 0.9139
404 3M0 0.9138
405 GUN 0.9137
406 4P5 0.9136
407 TIU 0.9135
408 42A 0.9134
409 OXC 0.9134
410 BHO 0.9134
411 N2Z 0.9133
412 JG8 0.9132
413 3R6 0.9132
414 FDB 0.9132
415 JYB 0.9132
416 JB8 0.9130
417 6RQ 0.9130
418 PFB 0.9130
419 HLZ 0.9129
420 AKH 0.9129
421 HIS 0.9129
422 BMA 0.9128
423 KJU 0.9126
424 PHH 0.9124
425 ANN 0.9124
426 HA5 0.9123
427 XAN 0.9122
428 ESI 0.9121
429 G2F 0.9121
430 JDN 0.9119
431 AJY 0.9119
432 G4D 0.9117
433 HLR 0.9116
434 4ME 0.9116
435 1U6 0.9116
436 3BZ 0.9115
437 GM7 0.9114
438 8HC 0.9113
439 BZX 0.9112
440 CWM 0.9112
441 36R 0.9112
442 5NE 0.9112
443 BPU 0.9109
444 6M1 0.9108
445 UEG 0.9108
446 2AL 0.9108
447 ABV 0.9106
448 PXM 0.9105
449 F0J 0.9104
450 75K 0.9104
451 GRE 0.9104
452 3WA 0.9104
453 LKA 0.9104
454 2BG 0.9103
455 FB1 0.9103
456 8W9 0.9103
457 ES0 0.9102
458 PRF 0.9102
459 LSA 0.9102
460 ASC 0.9100
461 PH2 0.9100
462 6F0 0.9099
463 141 0.9099
464 VGD 0.9099
465 QAS 0.9098
466 NDH 0.9097
467 14O 0.9096
468 11S 0.9096
469 SOE 0.9096
470 SLS 0.9095
471 ET2 0.9094
472 Q88 0.9094
473 GZ8 0.9093
474 94W 0.9092
475 5H1 0.9091
476 9FE 0.9090
477 12T 0.9088
478 0FK 0.9087
479 5VM 0.9086
480 8OZ 0.9086
481 FBV 0.9085
482 M1E 0.9084
483 SYA 0.9083
484 NOY 0.9082
485 CFP 0.9081
486 TSU 0.9081
487 X8D 0.9080
488 5JL 0.9080
489 F60 0.9079
490 FK1 0.9079
491 A2F 0.9077
492 1PT 0.9075
493 ZYR 0.9074
494 SYV 0.9072
495 BPN 0.9072
496 2A9 0.9071
497 20J 0.9071
498 5JQ 0.9070
499 KDV 0.9070
500 6AI 0.9069
501 QWW 0.9069
502 BK9 0.9068
503 XQG 0.9068
504 5MI 0.9067
505 E5X 0.9067
506 FP1 0.9065
507 5VL 0.9064
508 JBK 0.9063
509 6VD 0.9062
510 4HM 0.9062
511 4WL 0.9062
512 7N0 0.9062
513 JBQ 0.9060
514 QX2 0.9060
515 M0Q 0.9060
516 DBJ 0.9059
517 HDH 0.9059
518 5MB 0.9058
519 ADA 0.9058
520 BSP 0.9057
521 M1H 0.9057
522 SAN 0.9057
523 0F9 0.9056
524 680 0.9056
525 1AL 0.9056
526 4XV 0.9055
527 XM0 0.9055
528 ES9 0.9054
529 7B3 0.9054
530 ZXD 0.9054
531 BZ2 0.9053
532 I6G 0.9052
533 JXN 0.9052
534 4XS 0.9051
535 PA1 0.9051
536 42J 0.9051
537 B53 0.9049
538 QAT 0.9049
539 AX7 0.9049
540 NK 0.9048
541 DX4 0.9048
542 6GU 0.9048
543 4BZ 0.9047
544 LDR 0.9044
545 2K4 0.9043
546 JZ3 0.9043
547 ISZ 0.9043
548 6BL 0.9041
549 TT4 0.9039
550 0FN 0.9039
551 5GU 0.9037
552 HHA 0.9037
553 H4N 0.9036
554 7WR 0.9034
555 XIY 0.9032
556 8WT 0.9032
557 34D 0.9031
558 PQ0 0.9031
559 3QV 0.9031
560 HKD 0.9029
561 3XX 0.9028
562 F12 0.9028
563 GCV 0.9027
564 XXR 0.9027
565 VXX 0.9024
566 G12 0.9024
567 290 0.9023
568 CWJ 0.9023
569 R9S 0.9023
570 6KT 0.9021
571 6AP 0.9021
572 4VS 0.9021
573 5NS 0.9019
574 SRO 0.9016
575 28N 0.9015
576 DFB 0.9015
577 KGK 0.9014
578 BCU 0.9013
579 CFI 0.9013
580 HHR 0.9013
581 8XL 0.9013
582 2CK 0.9012
583 F1A 0.9009
584 OMD 0.9009
585 8NY 0.9008
586 52C 0.9008
587 D1X 0.9007
588 2H5 0.9007
589 AZG 0.9006
590 GJS 0.9005
591 M6N 0.9005
592 9AP 0.9004
593 DOR 0.9003
594 CTS 0.9003
595 XYP 0.9002
596 YH7 0.9001
597 0LH 0.9001
598 KTW 0.8999
599 EOL 0.8999
600 HQJ 0.8998
601 FCR 0.8997
602 2KA 0.8996
603 EUG 0.8996
604 NIZ 0.8996
605 DHS 0.8995
606 TSS 0.8994
607 4NM 0.8993
608 82I 0.8993
609 4J8 0.8991
610 N3W 0.8990
611 259 0.8989
612 1L5 0.8989
613 FA1 0.8988
614 0XT 0.8988
615 TH0 0.8988
616 PRZ 0.8986
617 Q02 0.8985
618 BEZ 0.8985
619 HH5 0.8985
620 OAA 0.8985
621 JUG 0.8983
622 DE5 0.8982
623 270 0.8982
624 NDM 0.8982
625 LZ2 0.8981
626 NAG 0.8980
627 MAJ 0.8979
628 GLT 0.8979
629 3DM 0.8979
630 4ZA 0.8979
631 27B 0.8979
632 7ME 0.8978
633 KYA 0.8978
634 0R0 0.8976
635 GJP 0.8975
636 6PC 0.8975
637 FBS 0.8975
638 EQT 0.8975
639 2ZV 0.8974
640 NCT 0.8974
641 APG 0.8974
642 39A 0.8973
643 TEP 0.8972
644 MNM 0.8971
645 4RU 0.8970
646 AL0 0.8970
647 DX3 0.8970
648 Q7A 0.8969
649 IAC 0.8969
650 EXO 0.8969
651 ONR 0.8968
652 Q71 0.8968
653 ROI 0.8968
654 5CL 0.8966
655 1HN 0.8965
656 AAS 0.8965
657 SXS 0.8964
658 BCP 0.8964
659 51R 0.8962
660 HBA 0.8962
661 FRU 0.8961
662 DPZ 0.8960
663 AW5 0.8959
664 L7T 0.8959
665 NCA 0.8959
666 MT0 0.8958
667 OW4 0.8957
668 BOA 0.8957
669 G1O 0.8956
670 5WX 0.8956
671 DGJ 0.8955
672 ESX 0.8955
673 F9P 0.8955
674 M0W 0.8954
675 7VJ 0.8954
676 FBM 0.8953
677 1P3 0.8953
678 2LP 0.8953
679 BEN 0.8951
680 F5B 0.8950
681 9KT 0.8948
682 1M2 0.8947
683 495 0.8945
684 EN1 0.8944
685 FBW 0.8943
686 PBA 0.8943
687 YCP 0.8942
688 57O 0.8942
689 DQA 0.8942
690 2MI 0.8941
691 F9Y 0.8941
692 QIC 0.8940
693 PJW 0.8939
694 HPA 0.8939
695 LCN 0.8938
696 PYD 0.8938
697 5LA 0.8936
698 1XM 0.8936
699 MSR 0.8936
700 I1E 0.8934
701 XXG 0.8934
702 ADE 0.8934
703 NIO 0.8933
704 2FG 0.8933
705 RAM 0.8933
706 AMS 0.8932
707 1LN 0.8932
708 PHT 0.8931
709 K5W 0.8930
710 GF4 0.8930
711 H5B 0.8927
712 6FZ 0.8927
713 YIO 0.8927
714 0W1 0.8926
715 MAN 0.8926
716 23A 0.8925
717 AA 0.8925
718 DYA 0.8925
719 H62 0.8923
720 MCT 0.8923
721 M6Z 0.8922
722 Q77 0.8922
723 BAM 0.8921
724 PZA 0.8921
725 UNJ 0.8920
726 XCZ 0.8919
727 717 0.8919
728 OVP 0.8918
729 JU2 0.8918
730 149 0.8918
731 SWA 0.8917
732 SJ5 0.8915
733 XBZ 0.8915
734 NTM 0.8914
735 SWD 0.8914
736 KTA 0.8914
737 MPV 0.8914
738 MLT 0.8913
739 ZVO 0.8912
740 6MP 0.8911
741 GLA 0.8911
742 HNQ 0.8910
743 3FH 0.8910
744 UNU 0.8908
745 K6X 0.8907
746 BTE 0.8903
747 YQA 0.8902
748 HZQ 0.8901
749 NBZ 0.8901
750 GOX 0.8901
751 4KL 0.8900
752 JTH 0.8899
753 AN3 0.8899
754 HA7 0.8899
755 TPA 0.8899
756 BSX 0.8897
757 CPZ 0.8896
758 PBC 0.8896
759 2O6 0.8895
760 PEZ 0.8895
761 286 0.8894
762 FAN 0.8894
763 RHU 0.8894
764 0CU 0.8891
765 TYL 0.8888
766 P92 0.8888
767 6QF 0.8887
768 XDE 0.8887
769 B5D 0.8887
770 URF 0.8887
771 MWM 0.8886
772 2K8 0.8886
773 M4T 0.8885
774 NVU 0.8885
775 43M 0.8885
776 IF7 0.8884
777 261 0.8884
778 H4E 0.8883
779 PHU 0.8881
780 IFM 0.8879
781 FBT 0.8877
782 1WC 0.8877
783 9DA 0.8876
784 LI6 0.8876
785 AC0 0.8875
786 30G 0.8875
787 O2A 0.8874
788 9HX 0.8874
789 DNC 0.8873
790 226 0.8873
791 PHE 0.8873
792 R8A 0.8872
793 1MC 0.8870
794 GIO 0.8870
795 GOG 0.8869
796 ANF 0.8868
797 X05 0.8868
798 4JL 0.8868
799 5MH 0.8867
800 HHS 0.8867
801 0BP 0.8867
802 8XQ 0.8866
803 4FA 0.8865
804 H7Y 0.8864
805 FEH 0.8864
806 4ZE 0.8864
807 GLF 0.8863
808 FA3 0.8863
809 FLV 0.8862
810 XYD 0.8862
811 GNM 0.8861
812 P72 0.8860
813 R8S 0.8860
814 SNU 0.8860
815 JZ1 0.8859
816 KIB 0.8858
817 4HO 0.8858
818 95Z 0.8857
819 OTR 0.8857
820 VOH 0.8856
821 12B 0.8856
822 GIV 0.8856
823 MZG 0.8855
824 10L 0.8854
825 2AC 0.8854
826 7HP 0.8851
827 YRL 0.8850
828 2YU 0.8850
829 JZ4 0.8850
830 TIY 0.8849
831 X6X 0.8849
832 JA8 0.8847
833 ALE 0.8847
834 3SL 0.8847
835 7WA 0.8846
836 HHT 0.8846
837 RIB 0.8846
838 ADK 0.8844
839 3MA 0.8844
840 E7S 0.8844
841 6TZ 0.8844
842 GZQ 0.8843
843 NTN 0.8841
844 CBF 0.8840
845 KYD 0.8839
846 RAT 0.8838
847 BP1 0.8838
848 PIM 0.8837
849 RSO 0.8837
850 GJZ 0.8837
851 TZF 0.8835
852 DRG 0.8835
853 PZI 0.8835
854 2MP 0.8835
855 209 0.8835
856 DEN 0.8835
857 C2B 0.8835
858 PIY 0.8834
859 A13 0.8834
860 5JC 0.8833
861 XX3 0.8832
862 DHY 0.8832
863 61M 0.8832
864 275 0.8830
865 FUD 0.8830
866 DHR 0.8829
867 6R8 0.8828
868 ICB 0.8827
869 TDR 0.8826
870 ES4 0.8826
871 8GK 0.8826
872 TLD 0.8825
873 I3E 0.8824
874 RD4 0.8824
875 ANC 0.8824
876 KLW 0.8823
877 DIE 0.8823
878 GV9 0.8821
879 P3K 0.8820
880 4JO 0.8820
881 C2A 0.8820
882 MIG 0.8819
883 3MG 0.8819
884 MHK 0.8818
885 329 0.8818
886 MXN 0.8818
887 HIO 0.8818
888 GT0 0.8818
889 BNS 0.8818
890 THA 0.8817
891 CIT 0.8817
892 SNO 0.8817
893 KP6 0.8816
894 GAF 0.8815
895 OXZ 0.8815
896 KJ5 0.8814
897 TAG 0.8812
898 5WU 0.8811
899 IUR 0.8811
900 BPY 0.8811
901 9RW 0.8810
902 MB1 0.8810
903 K34 0.8809
904 L5V 0.8808
905 3RK 0.8808
906 YSO 0.8807
907 HLD 0.8803
908 JFD 0.8802
909 HT4 0.8802
910 A1U 0.8802
911 IWT 0.8800
912 6LW 0.8800
913 AEF 0.8798
914 34A 0.8798
915 VGL 0.8795
916 4VP 0.8795
917 EXD 0.8794
918 4CL 0.8794
919 1A7 0.8793
920 OHP 0.8793
921 OA3 0.8792
922 H33 0.8790
923 J6W 0.8790
924 68A 0.8789
925 PM6 0.8789
926 INS 0.8788
927 3J8 0.8787
928 AY4 0.8787
929 4JJ 0.8786
930 EJZ 0.8786
931 EGR 0.8786
932 60P 0.8785
933 TM7 0.8785
934 0GZ 0.8784
935 M5E 0.8784
936 OQC 0.8782
937 1GN 0.8781
938 TBS 0.8781
939 M4S 0.8780
940 KFH 0.8779
941 DEE 0.8778
942 SMN 0.8777
943 FBU 0.8776
944 IND 0.8776
945 4JM 0.8775
946 WBU 0.8775
947 EDR 0.8773
948 K17 0.8773
949 948 0.8771
950 86L 0.8770
951 MWJ 0.8770
952 5TY 0.8770
953 H8N 0.8768
954 PMB 0.8767
955 L22 0.8764
956 4AV 0.8763
957 DQN 0.8763
958 X09 0.8762
959 GXL 0.8762
960 KW8 0.8762
961 ZZ8 0.8760
962 FDK 0.8759
963 DNA 0.8759
964 5UC 0.8757
965 FBG 0.8757
966 FBA 0.8757
967 DPT 0.8757
968 LMR 0.8757
969 IDM 0.8756
970 M58 0.8755
971 E35 0.8755
972 PFL 0.8753
973 HQ9 0.8752
974 SKF 0.8752
975 4JC 0.8752
976 344 0.8751
977 4BY 0.8751
978 L3Q 0.8750
979 ICP 0.8749
980 36E 0.8748
981 2HC 0.8748
982 PKU 0.8747
983 1QP 0.8747
984 ESP 0.8747
985 CXF 0.8747
986 LQ2 0.8745
987 V1T 0.8744
988 27Y 0.8744
989 OK7 0.8743
990 7CZ 0.8742
991 2F6 0.8742
992 JZ2 0.8741
993 FB2 0.8740
994 PQK 0.8739
995 TLA 0.8736
996 KBZ 0.8735
997 JFJ 0.8735
998 4P0 0.8735
999 F2W 0.8734
1000 PCI 0.8734
1001 3ZB 0.8734
1002 F3B 0.8733
1003 JIF 0.8732
1004 R20 0.8732
1005 0OC 0.8730
1006 QSC 0.8730
1007 2A7 0.8729
1008 ZBT 0.8729
1009 BNL 0.8728
1010 2GS 0.8727
1011 UQ 0.8726
1012 OGA 0.8726
1013 T6C 0.8725
1014 BZI 0.8724
1015 BZF 0.8724
1016 K22 0.8724
1017 5XB 0.8723
1018 AFR 0.8722
1019 FQI 0.8721
1020 NGO 0.8721
1021 XQK 0.8720
1022 HFB 0.8720
1023 A65 0.8719
1024 TSR 0.8719
1025 BR9 0.8719
1026 JND 0.8718
1027 F4E 0.8716
1028 GBD 0.8715
1029 AEH 0.8715
1030 7MH 0.8715
1031 C9E 0.8714
1032 4V2 0.8714
1033 3BU 0.8714
1034 36Y 0.8713
1035 428 0.8713
1036 X0W 0.8712
1037 LZ1 0.8710
1038 8NX 0.8709
1039 IBF 0.8709
1040 CK2 0.8707
1041 M3H 0.8706
1042 A5E 0.8703
1043 4JP 0.8703
1044 1DJ 0.8702
1045 FH2 0.8701
1046 4NB 0.8698
1047 ASP 0.8698
1048 K32 0.8697
1049 4VY 0.8696
1050 8MO 0.8695
1051 Y8I 0.8693
1052 EVF 0.8692
1053 BHQ 0.8691
1054 XYL 0.8690
1055 RB5 0.8690
1056 ZZZ 0.8690
1057 5AC 0.8690
1058 M2H 0.8689
1059 QOS 0.8689
1060 PZM 0.8687
1061 X0U 0.8685
1062 EV0 0.8683
1063 F81 0.8682
1064 4AN 0.8682
1065 64C 0.8681
1066 0CT 0.8681
1067 NGA 0.8678
1068 GLU 0.8676
1069 XXP 0.8675
1070 BCF 0.8674
1071 MPI 0.8674
1072 RNS 0.8673
1073 ZWZ 0.8673
1074 SVD 0.8673
1075 0TR 0.8673
1076 M5H 0.8673
1077 AKG 0.8672
1078 S76 0.8672
1079 GIM 0.8672
1080 HBO 0.8668
1081 N1E 0.8668
1082 2MN 0.8667
1083 4A5 0.8667
1084 0R1 0.8666
1085 14J 0.8664
1086 GAG 0.8663
1087 GVH 0.8663
1088 8NB 0.8661
1089 EPR 0.8661
1090 7MK 0.8661
1091 TVP 0.8658
1092 BBF 0.8657
1093 6X9 0.8657
1094 IOS 0.8655
1095 OTD 0.8654
1096 JXZ 0.8652
1097 AIN 0.8650
1098 QQQ 0.8647
1099 AMG 0.8645
1100 M1Z 0.8644
1101 S0E 0.8640
1102 582 0.8636
1103 IDH 0.8635
1104 H76 0.8634
1105 AH8 0.8633
1106 47J 0.8632
1107 ZB1 0.8631
1108 MT5 0.8630
1109 PPY 0.8630
1110 TFU 0.8630
1111 B56 0.8629
1112 JXW 0.8628
1113 MJ2 0.8628
1114 X11 0.8627
1115 GIF 0.8626
1116 12M 0.8626
1117 QBS 0.8626
1118 CXP 0.8626
1119 1X7 0.8625
1120 5VJ 0.8625
1121 BDF 0.8624
1122 E3D 0.8624
1123 PEP 0.8624
1124 FK8 0.8624
1125 LYL 0.8620
1126 RIP 0.8614
1127 LRH 0.8614
1128 L14 0.8613
1129 GO2 0.8613
1130 3AL 0.8609
1131 7VP 0.8608
1132 PRY 0.8606
1133 HHH 0.8605
1134 1XA 0.8603
1135 RNO 0.8596
1136 6OT 0.8595
1137 06B 0.8595
1138 3R4 0.8594
1139 TAR 0.8591
1140 LT8 0.8591
1141 DMJ 0.8591
1142 GTZ 0.8587
1143 RPQ 0.8584
1144 JKZ 0.8583
1145 3HG 0.8579
1146 S2G 0.8575
1147 AS3 0.8574
1148 60Q 0.8574
1149 ZZ3 0.8567
1150 SF9 0.8566
1151 AGK 0.8563
1152 L46 0.8561
1153 ASN 0.8559
1154 ICT 0.8559
1155 HTP 0.8559
1156 URS 0.8558
1157 OXQ 0.8550
1158 2PG 0.8550
1159 FIX 0.8547
1160 K82 0.8541
1161 7D2 0.8539
1162 537 0.8536
1163 JZ9 0.8533
1164 PBR 0.8530
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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