Receptor
PDB id Resolution Class Description Source Keywords
5CJM 2.13 Å EC: 2.3.3.9 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTH COMPLEX WITH 4H-THIENO[3,2-B]PYRROLE-5-CARBOXYLIC ACID 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
MG A:802;
A:801;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
4WL A:803;
 Valid;
 none;
 submit data
167.185 C7 H5 N O2 S c1csc...
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 (16)
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 6C7B ic50 = 1.5 uM ENY C15 H12 O5 COc1ccc2cc....
10 5CEW - 6MW C9 H10 N2 O2 S c1cnccc1[C....
11 5CAK - 4Z9 C11 H11 N O3 c1ccc2c(c1....
12 6ASU ic50 = 6.1 uM BVS C11 H10 O4 Cc1ccc(cc1....
13 6AU9 ic50 = 1.1 uM BXS C12 H10 O6 c1cc2c(cc1....
14 5CJM - 4WL C7 H5 N O2 S c1csc2c1[n....
15 6DL9 ic50 = 1 uM GXD C10 H6 Cl2 O4 c1cc(c(c(c....
16 5T8G - 4Z0 C9 H6 O5 S c1cc(sc1)C....
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: 4WL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 4WL 1 1
2 4ZA 0.425532 0.965517
Similar Ligands (3D)
Ligand no: 1; Ligand: 4WL; Similar ligands found: 1112
No: Ligand Similarity coefficient
1 BZ2 0.9978
2 4P5 0.9977
3 ICB 0.9897
4 ESP 0.9857
5 6FZ 0.9803
6 ESX 0.9796
7 6NT 0.9784
8 1F1 0.9768
9 HBD 0.9755
10 F4E 0.9750
11 0HN 0.9745
12 PHB 0.9745
13 6NI 0.9740
14 PO6 0.9740
15 3NY 0.9738
16 MSR 0.9716
17 JAW 0.9707
18 PAB 0.9707
19 2ZM 0.9705
20 5NI 0.9704
21 0HO 0.9702
22 PIM 0.9689
23 JDN 0.9680
24 1Y6 0.9680
25 5LA 0.9679
26 3A9 0.9678
27 2BG 0.9676
28 2HU 0.9672
29 NPO 0.9669
30 INO 0.9662
31 1M2 0.9654
32 XIY 0.9646
33 ABI 0.9635
34 E5X 0.9635
35 JLZ 0.9635
36 TCA 0.9634
37 JB8 0.9627
38 4MA 0.9624
39 ANN 0.9619
40 4NB 0.9608
41 0JD 0.9605
42 L14 0.9603
43 717 0.9602
44 DHB 0.9599
45 PIY 0.9599
46 LQ2 0.9596
47 SNU 0.9590
48 15N 0.9579
49 3HM 0.9578
50 PBZ 0.9577
51 SN4 0.9576
52 TYL 0.9575
53 FHB 0.9575
54 36E 0.9573
55 2HO 0.9572
56 826 0.9571
57 PHU 0.9570
58 P9P 0.9569
59 4A3 0.9566
60 M3H 0.9565
61 2HC 0.9560
62 NNO 0.9559
63 PNZ 0.9559
64 93K 0.9558
65 CHB 0.9557
66 4NC 0.9555
67 XX2 0.9555
68 HCI 0.9551
69 MYJ 0.9549
70 BPN 0.9548
71 PPY 0.9542
72 9TW 0.9540
73 BZ3 0.9537
74 UNJ 0.9536
75 SW7 0.9535
76 428 0.9534
77 IHB 0.9534
78 3PF 0.9533
79 4BZ 0.9533
80 3ZB 0.9530
81 4BL 0.9523
82 5QY 0.9522
83 5XC 0.9521
84 TZF 0.9521
85 5OB 0.9520
86 174 0.9520
87 AC6 0.9520
88 Z82 0.9518
89 8ZE 0.9515
90 K97 0.9515
91 TIU 0.9511
92 SLS 0.9507
93 CPZ 0.9505
94 E1T 0.9503
95 M4T 0.9493
96 QSB 0.9492
97 HDH 0.9491
98 4BY 0.9488
99 PAC 0.9486
100 NYL 0.9480
101 9FL 0.9478
102 D48 0.9475
103 J9Q 0.9474
104 AMH 0.9471
105 9ZE 0.9471
106 EVF 0.9471
107 8WO 0.9471
108 0BP 0.9470
109 4LW 0.9470
110 XIZ 0.9469
111 HQJ 0.9459
112 36Y 0.9456
113 1IT 0.9456
114 HC4 0.9456
115 ESI 0.9453
116 HIS 0.9453
117 CFI 0.9448
118 BNL 0.9447
119 FK8 0.9444
120 4NM 0.9442
121 HHI 0.9442
122 C1M 0.9441
123 9CA 0.9440
124 6TZ 0.9440
125 URO 0.9432
126 YZM 0.9429
127 G3E 0.9425
128 MAJ 0.9424
129 J6W 0.9423
130 268 0.9418
131 J5I 0.9417
132 SE2 0.9416
133 K34 0.9413
134 KTW 0.9412
135 MPV 0.9411
136 CXP 0.9409
137 12T 0.9407
138 L5V 0.9407
139 3ID 0.9406
140 A5E 0.9405
141 AKG 0.9403
142 0W1 0.9401
143 ISZ 0.9400
144 TPA 0.9400
145 H42 0.9398
146 03V 0.9393
147 6KT 0.9393
148 4FA 0.9393
149 AOT 0.9390
150 COU 0.9389
151 IWT 0.9389
152 259 0.9386
153 HX4 0.9384
154 JB5 0.9384
155 DMD 0.9382
156 R20 0.9382
157 97T 0.9378
158 ABV 0.9375
159 2MI 0.9373
160 FBB 0.9368
161 ES5 0.9368
162 BEZ 0.9368
163 MQN 0.9366
164 ET2 0.9366
165 4FS 0.9366
166 2AQ 0.9363
167 6RQ 0.9361
168 OCH 0.9361
169 CXF 0.9360
170 AN3 0.9360
171 DHR 0.9360
172 4JQ 0.9358
173 DE5 0.9356
174 OGA 0.9356
175 AX7 0.9353
176 SNO 0.9352
177 FA0 0.9351
178 173 0.9351
179 OTR 0.9350
180 P72 0.9350
181 49F 0.9349
182 J9N 0.9347
183 GVG 0.9346
184 258 0.9344
185 K2T 0.9343
186 PZI 0.9343
187 HA5 0.9341
188 7VP 0.9341
189 YRL 0.9338
190 PRA 0.9337
191 GAB 0.9336
192 DOB 0.9333
193 DHI 0.9331
194 CH9 0.9331
195 N2I 0.9330
196 BHA 0.9329
197 M4S 0.9327
198 GO2 0.9325
199 GUA 0.9324
200 RNO 0.9320
201 LNR 0.9317
202 5CU 0.9316
203 NIZ 0.9315
204 S7J 0.9312
205 S2G 0.9312
206 4J8 0.9311
207 F31 0.9310
208 9FE 0.9309
209 M45 0.9308
210 S8V 0.9308
211 4AA 0.9308
212 8WT 0.9307
213 BHO 0.9307
214 ES2 0.9306
215 BEN 0.9305
216 HBA 0.9303
217 4M0 0.9302
218 AMS 0.9301
219 FBS 0.9300
220 ZXD 0.9299
221 OK7 0.9299
222 PJW 0.9298
223 4NZ 0.9296
224 2HG 0.9296
225 KTA 0.9294
226 BSX 0.9293
227 DZA 0.9292
228 F9Y 0.9291
229 CWJ 0.9291
230 52C 0.9290
231 I3E 0.9290
232 CLW 0.9287
233 TSU 0.9287
234 5NU 0.9286
235 3HB 0.9285
236 3QM 0.9284
237 3HG 0.9282
238 MLT 0.9282
239 OAA 0.9281
240 270 0.9280
241 4RU 0.9279
242 0TU 0.9279
243 94W 0.9278
244 36R 0.9278
245 1A7 0.9276
246 P92 0.9275
247 EXD 0.9274
248 I1E 0.9274
249 PBC 0.9274
250 TGX 0.9273
251 SAN 0.9272
252 VNL 0.9271
253 JG8 0.9269
254 XM0 0.9267
255 L99 0.9266
256 1L5 0.9263
257 8XL 0.9262
258 VGD 0.9259
259 JAE 0.9259
260 NCA 0.9259
261 DYA 0.9258
262 MR1 0.9256
263 BAM 0.9256
264 PHE 0.9254
265 AL0 0.9253
266 RAT 0.9252
267 XDK 0.9252
268 PEA 0.9251
269 F9P 0.9250
270 F60 0.9249
271 2K4 0.9249
272 1P8 0.9248
273 X0V 0.9247
274 14O 0.9247
275 5H1 0.9246
276 FBM 0.9246
277 GDE 0.9246
278 QMP 0.9243
279 15E 0.9243
280 3AB 0.9242
281 FBF 0.9241
282 FAN 0.9241
283 TMG 0.9241
284 3MB 0.9241
285 XYL 0.9239
286 ASC 0.9239
287 RB5 0.9239
288 A29 0.9238
289 KOJ 0.9236
290 OVM 0.9236
291 GJP 0.9236
292 KMH 0.9235
293 5WV 0.9234
294 5MI 0.9233
295 EYV 0.9231
296 AEF 0.9231
297 SKM 0.9230
298 3AE 0.9229
299 XCG 0.9229
300 IFP 0.9229
301 6AI 0.9227
302 NCT 0.9226
303 GJZ 0.9225
304 L22 0.9224
305 4FH 0.9224
306 MAH 0.9222
307 X0U 0.9222
308 4SX 0.9222
309 1HN 0.9221
310 LR5 0.9221
311 OVV 0.9221
312 2FY 0.9219
313 NTN 0.9218
314 2A9 0.9217
315 BNF 0.9217
316 152 0.9217
317 MS9 0.9215
318 92G 0.9214
319 P80 0.9213
320 5VM 0.9212
321 QWN 0.9212
322 R2P 0.9211
323 4YO 0.9210
324 RSO 0.9210
325 4JT 0.9209
326 8U3 0.9204
327 AC0 0.9204
328 WCE 0.9204
329 069 0.9203
330 4CS 0.9203
331 FCR 0.9202
332 FUD 0.9201
333 AM4 0.9201
334 AAS 0.9200
335 ODO 0.9199
336 EKZ 0.9196
337 KDV 0.9195
338 KJU 0.9194
339 2HQ 0.9193
340 KTJ 0.9191
341 XQ0 0.9188
342 SYV 0.9187
343 BEA 0.9185
344 6PC 0.9184
345 4VP 0.9182
346 H8N 0.9182
347 JA8 0.9182
348 53C 0.9182
349 DGN 0.9181
350 BQ2 0.9180
351 GLU 0.9179
352 11S 0.9176
353 8GC 0.9176
354 4JC 0.9174
355 3PG 0.9173
356 4LV 0.9173
357 SSC 0.9173
358 5MB 0.9173
359 B40 0.9171
360 AHR 0.9169
361 N1E 0.9168
362 NOJ 0.9168
363 BZX 0.9166
364 DGL 0.9165
365 B85 0.9165
366 ES7 0.9164
367 EN1 0.9162
368 LDP 0.9162
369 LMR 0.9162
370 GOJ 0.9158
371 4V2 0.9158
372 S7A 0.9158
373 QSH 0.9158
374 QXW 0.9157
375 AEG 0.9155
376 3BU 0.9155
377 NIO 0.9154
378 7MU 0.9154
379 P7Y 0.9152
380 EA1 0.9152
381 3NT 0.9151
382 8NB 0.9149
383 HSO 0.9149
384 3HA 0.9148
385 4CM 0.9147
386 N91 0.9146
387 5HN 0.9146
388 SRT 0.9145
389 2BX 0.9145
390 LT2 0.9145
391 E7S 0.9145
392 SKF 0.9144
393 ALE 0.9143
394 OW4 0.9143
395 61M 0.9141
396 ES9 0.9141
397 GZL 0.9141
398 N2Z 0.9140
399 CN0 0.9140
400 PZM 0.9139
401 VGL 0.9138
402 5XB 0.9137
403 1AL 0.9137
404 RBL 0.9136
405 HFA 0.9136
406 LPK 0.9136
407 27B 0.9136
408 SHI 0.9135
409 FGZ 0.9133
410 ASO 0.9132
411 2QC 0.9132
412 GWM 0.9131
413 N9J 0.9131
414 UNU 0.9130
415 8NX 0.9127
416 5RO 0.9127
417 86J 0.9127
418 AHN 0.9126
419 FQI 0.9126
420 H4N 0.9126
421 FHC 0.9126
422 CXH 0.9125
423 FK1 0.9125
424 56D 0.9122
425 SSB 0.9122
426 5GU 0.9122
427 OKG 0.9121
428 S2P 0.9120
429 HPS 0.9119
430 14J 0.9119
431 GAL 0.9118
432 COI 0.9117
433 2O6 0.9117
434 DHK 0.9117
435 9R5 0.9115
436 1Z6 0.9114
437 5RN 0.9114
438 HY1 0.9113
439 XRG 0.9113
440 KKN 0.9113
441 4XR 0.9113
442 DBH 0.9112
443 NFA 0.9111
444 ONR 0.9110
445 P81 0.9109
446 4I8 0.9108
447 4JM 0.9108
448 3OC 0.9108
449 DIN 0.9106
450 FF2 0.9101
451 7WG 0.9101
452 SS1 0.9099
453 R8S 0.9096
454 0F9 0.9096
455 ISN 0.9094
456 GLC 0.9093
457 IAC 0.9092
458 A7N 0.9090
459 BPY 0.9087
460 R9Y 0.9087
461 PZA 0.9085
462 ZYR 0.9085
463 SHA 0.9084
464 DGJ 0.9084
465 363 0.9082
466 YPN 0.9081
467 NMJ 0.9081
468 GZ2 0.9080
469 NOY 0.9080
470 0FK 0.9079
471 JND 0.9079
472 E7Z 0.9079
473 PBA 0.9078
474 NPY 0.9078
475 PQK 0.9077
476 FYU 0.9077
477 YCP 0.9077
478 3F0 0.9076
479 G2F 0.9075
480 GLN 0.9075
481 N3W 0.9074
482 ICO 0.9073
483 7W1 0.9072
484 PH3 0.9072
485 8HC 0.9071
486 TT4 0.9071
487 3R4 0.9070
488 URS 0.9070
489 4XF 0.9070
490 NBZ 0.9070
491 A7H 0.9069
492 2F6 0.9069
493 7BC 0.9068
494 DPN 0.9065
495 DNF 0.9065
496 A7W 0.9065
497 BRT 0.9065
498 J9T 0.9065
499 F4K 0.9063
500 92K 0.9063
501 4Z4 0.9062
502 KUF 0.9062
503 I3A 0.9061
504 CWM 0.9061
505 XUL 0.9059
506 QUZ 0.9059
507 FP1 0.9058
508 7W4 0.9058
509 KMY 0.9057
510 3VX 0.9056
511 BZE 0.9055
512 BE7 0.9054
513 BZJ 0.9053
514 GGL 0.9053
515 N8Y 0.9053
516 GO8 0.9053
517 IFL 0.9052
518 OW7 0.9052
519 FE DB1 0.9052
520 TTL 0.9051
521 HHH 0.9050
522 P9E 0.9050
523 FBA 0.9050
524 TH7 0.9050
525 8NY 0.9050
526 PKU 0.9050
527 CFA 0.9048
528 3BZ 0.9048
529 BGC 0.9048
530 5TY 0.9047
531 JFJ 0.9046
532 505 0.9045
533 CTL 0.9044
534 2FT 0.9043
535 39O 0.9043
536 APS 0.9040
537 TWO 0.9040
538 GVY 0.9040
539 HQD 0.9038
540 5QX 0.9037
541 3M0 0.9037
542 GLY GLY 0.9036
543 1SA 0.9036
544 MEV 0.9034
545 PBN 0.9032
546 92P 0.9031
547 X48 0.9031
548 4JL 0.9030
549 ZEC 0.9030
550 HDL 0.9029
551 7HQ 0.9027
552 M2K 0.9027
553 45L 0.9025
554 VXX 0.9023
555 XX3 0.9021
556 IF7 0.9021
557 HMH 0.9021
558 2AL 0.9021
559 42J 0.9020
560 IPB 0.9020
561 ORN 0.9019
562 4XV 0.9015
563 HX3 0.9014
564 NF3 0.9014
565 KBZ 0.9014
566 KJH 0.9013
567 S0E 0.9009
568 IV2 0.9009
569 DAL DAL 0.9007
570 FZM 0.9007
571 OEG 0.9006
572 JBK 0.9006
573 8H8 0.9005
574 AJV 0.9005
575 6QF 0.9004
576 Q88 0.9003
577 7O4 0.9001
578 SOR 0.9000
579 GYE 0.8999
580 HHA 0.8997
581 HG3 0.8996
582 TAG 0.8995
583 HNK 0.8995
584 C2Y 0.8994
585 AX3 0.8994
586 MRW 0.8994
587 GNM 0.8993
588 795 0.8991
589 XLS 0.8990
590 PPT 0.8990
591 12Q 0.8989
592 8OZ 0.8989
593 1DW 0.8989
594 ALA ALA 0.8988
595 1CO 0.8987
596 7N0 0.8986
597 PD2 0.8982
598 HQT 0.8979
599 DHY 0.8978
600 ES0 0.8978
601 C2B 0.8977
602 OVP 0.8975
603 2FQ 0.8975
604 1P7 0.8975
605 PEY 0.8974
606 4HM 0.8974
607 NDH 0.8971
608 GF4 0.8971
609 BP7 0.8970
610 CWS 0.8970
611 SME 0.8969
612 0P6 0.8969
613 M58 0.8969
614 3DM 0.8967
615 0N7 0.8967
616 2FX 0.8966
617 D3G 0.8966
618 88L 0.8964
619 S0W 0.8963
620 535 0.8958
621 7MW 0.8958
622 Y3L 0.8958
623 AZ9 0.8958
624 SD4 0.8957
625 8CM 0.8957
626 KYA 0.8956
627 DHS 0.8954
628 ANC 0.8951
629 LYL 0.8950
630 EUE 0.8950
631 RM1 0.8949
632 LYS 0.8947
633 QIV 0.8947
634 5B1 0.8946
635 K7M 0.8945
636 GLO 0.8945
637 SAL 0.8943
638 FA1 0.8942
639 C82 0.8941
640 0VT 0.8941
641 3W8 0.8940
642 AJY 0.8940
643 BDP 0.8940
644 HSM 0.8939
645 RUY 0.8938
646 2CK 0.8936
647 6FB 0.8935
648 BE2 0.8935
649 OHG 0.8935
650 68A 0.8934
651 IOS 0.8933
652 1DV 0.8932
653 JKE 0.8929
654 SVD 0.8926
655 AA 0.8925
656 ASP 0.8922
657 UN1 0.8922
658 1X4 0.8921
659 SEP 0.8920
660 EUG 0.8920
661 3QV 0.8920
662 OTW 0.8919
663 Z5P 0.8918
664 CCU 0.8918
665 UFV 0.8918
666 9BF 0.8916
667 NLE 0.8916
668 2LY 0.8916
669 TYR 0.8913
670 2D0 0.8913
671 N2M 0.8912
672 NAG 0.8912
673 4XS 0.8911
674 FUM 0.8911
675 ANF 0.8910
676 67N 0.8909
677 E4P 0.8908
678 H4E 0.8907
679 GCO 0.8907
680 PEL 0.8907
681 0NX 0.8907
682 5VL 0.8907
683 261 0.8906
684 FBW 0.8905
685 82I 0.8903
686 FDR 0.8902
687 XBT 0.8901
688 1KP 0.8900
689 SKA 0.8900
690 M6W 0.8899
691 4TU 0.8899
692 7WV 0.8898
693 RD4 0.8897
694 13P 0.8897
695 GBN 0.8896
696 ZBT 0.8894
697 6M9 0.8894
698 ENO 0.8892
699 JRB 0.8891
700 BTY 0.8891
701 QY9 0.8890
702 BNS 0.8889
703 4SV 0.8889
704 M1A 0.8887
705 44W 0.8885
706 3U4 0.8885
707 RA7 0.8884
708 URC 0.8884
709 V1T 0.8882
710 K5W 0.8880
711 3VS 0.8878
712 Q02 0.8878
713 FB2 0.8878
714 XXG 0.8877
715 51R 0.8876
716 DQU 0.8874
717 XDE 0.8873
718 DEE 0.8872
719 4M4 0.8871
720 AMC 0.8871
721 4HP 0.8870
722 3XX 0.8870
723 XAZ 0.8869
724 80G 0.8868
725 PGH 0.8868
726 JF6 0.8867
727 0FN 0.8867
728 HX2 0.8867
729 ES6 0.8866
730 3SL 0.8866
731 IT2 0.8865
732 QSC 0.8864
733 SIN 0.8864
734 KT7 0.8863
735 R9S 0.8863
736 1PT 0.8861
737 PXL 0.8860
738 Q24 0.8859
739 8W9 0.8858
740 DHC 0.8856
741 AY4 0.8856
742 CIT 0.8855
743 B62 0.8855
744 TSS 0.8854
745 6ME 0.8853
746 M6N 0.8853
747 PMB 0.8852
748 AJ2 0.8851
749 KMT 0.8849
750 Z13 0.8849
751 HMU 0.8849
752 JP2 0.8847
753 PDC 0.8845
754 492 0.8844
755 42A 0.8841
756 JBZ 0.8840
757 G3H 0.8839
758 PEP 0.8839
759 CCD 0.8838
760 H5B 0.8837
761 75K 0.8837
762 N4E 0.8836
763 30G 0.8836
764 8TX 0.8836
765 V55 0.8835
766 GTR 0.8835
767 3HP 0.8834
768 A5P 0.8834
769 M1Q 0.8834
770 AES 0.8833
771 TTY 0.8833
772 8G0 0.8831
773 XHP 0.8831
774 B57 0.8831
775 TAR 0.8830
776 HL4 0.8829
777 DS0 0.8829
778 5GT 0.8829
779 650 0.8829
780 344 0.8828
781 9RW 0.8827
782 3FH 0.8827
783 DDU 0.8824
784 24B 0.8821
785 FLC 0.8820
786 4MU 0.8820
787 M5K 0.8820
788 MET 0.8820
789 5JQ 0.8819
790 SOE 0.8818
791 JAH 0.8817
792 PMF 0.8817
793 3IT 0.8817
794 YTX 0.8816
795 8K2 0.8815
796 M4E 0.8815
797 RMN 0.8811
798 GP9 0.8811
799 THA 0.8810
800 DVQ 0.8810
801 NSP 0.8810
802 F05 0.8810
803 RP3 0.8809
804 PYF 0.8809
805 PRZ 0.8809
806 1VK 0.8809
807 2LP 0.8806
808 AZ8 0.8806
809 4VY 0.8805
810 GTQ 0.8804
811 MVN 0.8803
812 LZM 0.8803
813 GZ3 0.8803
814 OQC 0.8802
815 LVD 0.8800
816 0RW 0.8799
817 CK2 0.8798
818 SR1 0.8796
819 I4B 0.8795
820 VKC 0.8795
821 5RG 0.8794
822 QIC 0.8793
823 ADA 0.8790
824 E3X 0.8787
825 AQO 0.8787
826 GAF 0.8786
827 QX2 0.8786
828 JZ5 0.8785
829 2EC 0.8783
830 LDU 0.8783
831 ORO 0.8782
832 APG 0.8782
833 86L 0.8780
834 F0J 0.8780
835 1SQ 0.8780
836 FBJ 0.8779
837 54G 0.8778
838 5SG 0.8776
839 3C4 0.8775
840 1WC 0.8775
841 4HC 0.8774
842 5M0 0.8774
843 MD6 0.8772
844 QWW 0.8772
845 0FO 0.8771
846 4ME 0.8771
847 PRY 0.8770
848 23A 0.8768
849 JBE 0.8767
850 PH2 0.8767
851 MEW 0.8766
852 G3P 0.8765
853 M5H 0.8765
854 SMN 0.8764
855 5IQ 0.8764
856 GIF 0.8762
857 HHS 0.8761
858 44V 0.8760
859 HBX 0.8759
860 9TZ 0.8759
861 GLA 0.8758
862 3Z8 0.8758
863 R8V 0.8758
864 D1X 0.8756
865 RHU 0.8755
866 G3F 0.8753
867 JA5 0.8752
868 1LQ 0.8752
869 EMZ 0.8751
870 AZM 0.8750
871 J9W 0.8750
872 ZZT 0.8750
873 4YS 0.8749
874 OXC 0.8747
875 6M4 0.8747
876 449 0.8743
877 AHB 0.8742
878 XCZ 0.8742
879 FDB 0.8741
880 6AP 0.8741
881 2H5 0.8741
882 1P3 0.8740
883 N5J 0.8740
884 TLA 0.8740
885 1WD 0.8739
886 4NS 0.8737
887 GCU 0.8736
888 CCE 0.8735
889 B55 0.8735
890 9EW 0.8735
891 PE0 0.8734
892 AW5 0.8733
893 ES1 0.8733
894 ABN 0.8733
895 P3K 0.8731
896 HH5 0.8729
897 TEO 0.8728
898 7WR 0.8727
899 TZC 0.8727
900 5OO 0.8726
901 3R6 0.8724
902 R67 0.8722
903 6GU 0.8721
904 X6X 0.8717
905 CEE 0.8716
906 QX4 0.8715
907 AAN 0.8714
908 XXP 0.8714
909 OHP 0.8714
910 AGK 0.8713
911 2AK 0.8713
912 149 0.8713
913 2K8 0.8712
914 GXL 0.8712
915 BVA 0.8711
916 DAV 0.8710
917 SWA 0.8709
918 B1J 0.8708
919 SYN 0.8708
920 NDG 0.8707
921 6DP 0.8707
922 HLR 0.8707
923 5Q0 0.8707
924 7B4 0.8707
925 FQX 0.8706
926 GXY 0.8704
927 EGR 0.8703
928 F2W 0.8703
929 DXP 0.8702
930 TP5 0.8702
931 KYN 0.8701
932 IND 0.8700
933 JPZ 0.8700
934 SG2 0.8699
935 PY7 0.8698
936 LZ1 0.8698
937 XAN 0.8698
938 1XA 0.8698
939 NID 0.8697
940 FB1 0.8696
941 F12 0.8695
942 9KT 0.8695
943 M1Z 0.8695
944 DNA 0.8694
945 6VD 0.8694
946 BZI 0.8694
947 0W8 0.8694
948 LGC 0.8693
949 KW8 0.8691
950 6CS 0.8691
951 36M 0.8688
952 GCS 0.8687
953 4HB 0.8685
954 HSE 0.8683
955 N7I 0.8683
956 5MK 0.8683
957 MUA 0.8681
958 5JL 0.8680
959 UFO 0.8678
960 TH0 0.8678
961 Q6T 0.8677
962 QBK 0.8676
963 X11 0.8674
964 GPJ 0.8674
965 GPF 0.8674
966 KJY 0.8673
967 5JC 0.8673
968 SX1 0.8671
969 EV0 0.8670
970 1NP 0.8670
971 FBV 0.8670
972 SRO 0.8669
973 HNT 0.8668
974 C21 0.8668
975 JTH 0.8667
976 MWP 0.8667
977 DEN 0.8665
978 SVN 0.8665
979 4NP 0.8664
980 0R1 0.8664
981 VC3 0.8664
982 24W 0.8662
983 BIK 0.8661
984 7NI 0.8661
985 YH7 0.8660
986 PRF 0.8658
987 PRO 0.8658
988 4P0 0.8654
989 GIV 0.8652
990 MXD 0.8649
991 HHR 0.8649
992 1DU 0.8649
993 6SD 0.8648
994 INE 0.8648
995 NM2 0.8646
996 PCA 0.8645
997 CTS 0.8645
998 1MC 0.8643
999 ADZ 0.8642
1000 IP8 0.8641
1001 3VQ 0.8641
1002 282 0.8641
1003 4JP 0.8639
1004 DOR 0.8639
1005 M78 0.8638
1006 9SE 0.8637
1007 AZA 0.8637
1008 4JJ 0.8635
1009 DX4 0.8634
1010 209 0.8633
1011 DRG 0.8631
1012 BZF 0.8631
1013 MZG 0.8631
1014 0R0 0.8630
1015 TOF 0.8630
1016 42C 0.8629
1017 MPI 0.8629
1018 6M1 0.8629
1019 GUN 0.8628
1020 PXY 0.8628
1021 0XT 0.8627
1022 23J 0.8627
1023 LEU 0.8626
1024 4HO 0.8626
1025 9UL 0.8624
1026 GRE 0.8624
1027 IDM 0.8624
1028 XBZ 0.8623
1029 JZ2 0.8622
1030 4CL 0.8620
1031 MZW 0.8619
1032 A2F 0.8618
1033 DPT 0.8615
1034 APZ 0.8615
1035 2CQ 0.8615
1036 9DG 0.8615
1037 4XH 0.8614
1038 MCT 0.8614
1039 FOT 0.8614
1040 1PS 0.8613
1041 SJ5 0.8612
1042 PQ0 0.8610
1043 JZ3 0.8610
1044 A13 0.8610
1045 VNJ 0.8610
1046 141 0.8609
1047 CLZ 0.8608
1048 RIB 0.8607
1049 8S0 0.8606
1050 27Y 0.8605
1051 0CT 0.8605
1052 2FG 0.8604
1053 MWJ 0.8602
1054 SYA 0.8598
1055 DRL 0.8598
1056 150 0.8598
1057 HQE 0.8598
1058 BCP 0.8597
1059 9NB 0.8597
1060 E0O 0.8596
1061 0CU 0.8592
1062 PEQ 0.8590
1063 0V5 0.8590
1064 BR9 0.8586
1065 PSE 0.8586
1066 5MH 0.8585
1067 BML 0.8584
1068 7MX 0.8582
1069 A09 0.8582
1070 4HS 0.8581
1071 DBX 0.8580
1072 4MV 0.8579
1073 AKH 0.8578
1074 STT 0.8576
1075 1GN 0.8575
1076 3SK 0.8575
1077 URF 0.8574
1078 25R 0.8574
1079 QPR 0.8573
1080 HJP 0.8572
1081 WOT 0.8570
1082 4CH 0.8568
1083 JBH 0.8568
1084 PCR 0.8568
1085 TDR 0.8567
1086 R2B 0.8564
1087 S0D 0.8562
1088 4ZE 0.8562
1089 G14 0.8562
1090 5UC 0.8560
1091 O72 0.8559
1092 IGA 0.8559
1093 LG4 0.8559
1094 EVA 0.8559
1095 290 0.8557
1096 9YL 0.8556
1097 TC7 0.8555
1098 OMD 0.8554
1099 4MB 0.8552
1100 AZG 0.8550
1101 MWM 0.8545
1102 B53 0.8545
1103 F1A 0.8544
1104 32X 0.8544
1105 4JN 0.8542
1106 6F0 0.8540
1107 UNC 0.8536
1108 0OC 0.8534
1109 FBU 0.8533
1110 F4Z 0.8533
1111 MAN 0.8530
1112 MJ2 0.8520
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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