Receptor
PDB id Resolution Class Description Source Keywords
5C7V 2.5 Å EC: 2.3.3.9 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTH COMPLEX WITH 1H-PYRROLE-2-CARBOXYLIC ACID MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) FRAGMENT COMPLEX INHIBITOR 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;
Invalid;
Part of Protein;
 none;
none;
none;
 submit data
24.305 Mg [Mg+2...
PYC A:804;
 Valid;
 none;
 submit data
110.091 C5 H4 N O2 c1cc(...
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: PYC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PYC 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: PYC; Similar ligands found: 865
No: Ligand Similarity coefficient
1 FOA 1.0000
2 JBN 1.0000
3 TZC 1.0000
4 PRO 1.0000
5 TP5 1.0000
6 JAB 0.9987
7 BEZ 0.9959
8 265 0.9957
9 2PC 0.9953
10 BAM 0.9944
11 C21 0.9943
12 273 0.9921
13 BEN 0.9911
14 NTN 0.9898
15 NCA 0.9897
16 NIO 0.9892
17 SMV 0.9891
18 UNU 0.9873
19 PZA 0.9870
20 DPR 0.9867
21 YCP 0.9854
22 VGL 0.9853
23 6PC 0.9851
24 NBZ 0.9844
25 TFB 0.9837
26 J1Z 0.9818
27 1DU 0.9806
28 AC0 0.9785
29 BE7 0.9783
30 PBC 0.9777
31 QSC 0.9773
32 PRS 0.9770
33 MLA 0.9744
34 GAG 0.9743
35 M58 0.9738
36 5AC 0.9738
37 MZ0 0.9730
38 JZ5 0.9729
39 MLI 0.9727
40 BNS 0.9711
41 OXQ 0.9704
42 LZ1 0.9701
43 SS1 0.9696
44 DMG 0.9696
45 BZI 0.9693
46 IT2 0.9692
47 IND 0.9690
48 UY7 0.9685
49 RSF 0.9682
50 BVC 0.9682
51 DEN 0.9681
52 GVH 0.9680
53 BZF 0.9679
54 0R1 0.9673
55 C5J 0.9668
56 282 0.9664
57 FBJ 0.9653
58 MPI 0.9646
59 HBX 0.9644
60 NVI 0.9634
61 0CT 0.9631
62 SYN 0.9625
63 4JP 0.9621
64 GBD 0.9621
65 1DQ 0.9619
66 T2C 0.9614
67 14J 0.9610
68 OAA 0.9606
69 ABN 0.9588
70 60P 0.9587
71 MLM 0.9586
72 HYP 0.9583
73 HY3 0.9581
74 MAK 0.9577
75 MRZ 0.9577
76 IDM 0.9576
77 PYF 0.9576
78 HZP 0.9570
79 UYA 0.9563
80 PY7 0.9562
81 HY1 0.9561
82 54D 0.9561
83 JZ9 0.9557
84 HSM 0.9556
85 TZL 0.9550
86 ZBT 0.9550
87 NBE 0.9539
88 3PY 0.9537
89 MLT 0.9537
90 JZ7 0.9529
91 XBT 0.9528
92 KIV 0.9527
93 AMC 0.9523
94 PCA 0.9512
95 M6W 0.9511
96 IQ0 0.9498
97 AAE 0.9487
98 BVG 0.9480
99 9CL 0.9479
100 2KT 0.9479
101 3HR 0.9472
102 QUZ 0.9469
103 CFI 0.9465
104 APY 0.9458
105 PRI 0.9458
106 DXX 0.9454
107 IVA 0.9452
108 1PT 0.9443
109 P2D 0.9442
110 MAE 0.9433
111 FPI 0.9430
112 RSO 0.9429
113 FQI 0.9424
114 NPO 0.9421
115 THE 0.9420
116 HLR 0.9419
117 3ZQ 0.9416
118 69O 0.9415
119 NMG 0.9415
120 I1E 0.9407
121 NPY 0.9404
122 HSE 0.9403
123 UGC 0.9401
124 KG7 0.9397
125 ISZ 0.9397
126 0RW 0.9396
127 JBE 0.9395
128 6M4 0.9392
129 2EZ 0.9391
130 F05 0.9385
131 9EW 0.9383
132 CAQ 0.9382
133 HX2 0.9380
134 BHO 0.9368
135 NIZ 0.9367
136 3HL 0.9361
137 BZX 0.9361
138 ALO 0.9360
139 URF 0.9357
140 SAL 0.9357
141 5H1 0.9346
142 4SV 0.9346
143 FAN 0.9345
144 6M9 0.9342
145 1WD 0.9341
146 BEW 0.9340
147 DTL 0.9340
148 TDR 0.9336
149 3U4 0.9332
150 1MR 0.9330
151 BE2 0.9329
152 NMJ 0.9327
153 HIO 0.9326
154 2K4 0.9322
155 OXE 0.9322
156 OXL 0.9319
157 MCT 0.9319
158 SER 0.9318
159 1WG 0.9317
160 MXN 0.9317
161 Z82 0.9317
162 4JU 0.9316
163 8GC 0.9315
164 5MI 0.9315
165 PLQ 0.9314
166 14O 0.9313
167 TH0 0.9311
168 F60 0.9311
169 7WV 0.9311
170 ASP 0.9310
171 ASN 0.9310
172 51F 0.9309
173 AX7 0.9306
174 270 0.9306
175 SIN 0.9306
176 2RH 0.9305
177 LMR 0.9305
178 WBU 0.9305
179 B24 0.9303
180 23W 0.9297
181 PHB 0.9297
182 DYA 0.9296
183 1MC 0.9295
184 280 0.9295
185 6AI 0.9293
186 HIU 0.9292
187 MWM 0.9291
188 2CH 0.9290
189 JKE 0.9289
190 2MH 0.9289
191 MRY 0.9288
192 4ZE 0.9288
193 5MB 0.9287
194 ES6 0.9284
195 HVQ 0.9284
196 3NT 0.9281
197 PKU 0.9281
198 WCE 0.9280
199 SVN 0.9279
200 HQE 0.9276
201 NK 0.9275
202 2MI 0.9275
203 ICP 0.9273
204 PYD 0.9273
205 L89 0.9272
206 FUM 0.9270
207 GAB 0.9270
208 DCL 0.9268
209 ES9 0.9267
210 DA1 0.9266
211 FPN 0.9266
212 URA 0.9262
213 1DV 0.9262
214 7WG 0.9261
215 HCS 0.9261
216 OHG 0.9261
217 PAB 0.9260
218 FB2 0.9260
219 HYN 0.9257
220 VNJ 0.9257
221 0TR 0.9255
222 MPD 0.9254
223 A2Q 0.9254
224 PMB 0.9253
225 PYJ 0.9252
226 40O 0.9245
227 XM0 0.9244
228 150 0.9241
229 3CH 0.9241
230 THR 0.9241
231 1AN 0.9240
232 FP2 0.9240
233 4HO 0.9239
234 BRT 0.9238
235 L3Q 0.9238
236 53C 0.9238
237 H4N 0.9236
238 JZ0 0.9236
239 25R 0.9234
240 174 0.9234
241 1Y6 0.9234
242 SS2 0.9233
243 4CS 0.9232
244 FBM 0.9232
245 PCR 0.9232
246 93Q 0.9232
247 275 0.9231
248 LG4 0.9231
249 JAE 0.9231
250 IPH 0.9230
251 4AP 0.9229
252 2MP 0.9228
253 P92 0.9228
254 HT4 0.9227
255 2CK 0.9227
256 XBZ 0.9226
257 FW5 0.9226
258 HVK 0.9225
259 3AP 0.9224
260 11S 0.9223
261 TM7 0.9223
262 DGY 0.9223
263 03W 0.9223
264 FK1 0.9221
265 5HN 0.9220
266 2AP 0.9220
267 8LG 0.9220
268 HRZ 0.9220
269 2AF 0.9220
270 2AC 0.9215
271 V1L 0.9214
272 76X 0.9212
273 34A 0.9211
274 5MH 0.9210
275 HBD 0.9209
276 5UC 0.9208
277 CEJ 0.9208
278 CYH 0.9206
279 RCO 0.9206
280 8NY 0.9202
281 OK7 0.9199
282 PBZ 0.9199
283 LDU 0.9199
284 2YU 0.9197
285 IZC 0.9196
286 S0H 0.9196
287 MBN 0.9195
288 ABV 0.9195
289 284 0.9195
290 FLA 0.9194
291 WOT 0.9193
292 3HB 0.9193
293 9X7 0.9192
294 A1U 0.9191
295 6MP 0.9191
296 3BZ 0.9191
297 COI 0.9191
298 AKB 0.9191
299 PAE 0.9190
300 3AB 0.9190
301 XIX 0.9188
302 XYD 0.9186
303 92Z 0.9186
304 24T 0.9185
305 SSN 0.9184
306 2CQ 0.9184
307 HPA 0.9184
308 LG3 0.9184
309 9PO 0.9182
310 OVV 0.9181
311 KYD 0.9180
312 FBA 0.9179
313 7CZ 0.9179
314 MNN 0.9178
315 5JC 0.9177
316 HUI 0.9177
317 PXY 0.9177
318 CYS 0.9177
319 ADE 0.9176
320 BP9 0.9175
321 HBA 0.9172
322 LGA 0.9171
323 ABA 0.9169
324 SW7 0.9169
325 CRS 0.9169
326 CXL 0.9167
327 QOS 0.9167
328 8GF 0.9166
329 BVF 0.9166
330 CP 0.9166
331 1DJ 0.9166
332 PM6 0.9165
333 826 0.9164
334 AHR 0.9163
335 CYT 0.9163
336 9DA 0.9162
337 GXE 0.9161
338 4MA 0.9161
339 TZE 0.9161
340 LG5 0.9160
341 IMR 0.9160
342 HTS 0.9157
343 ITN 0.9157
344 DSN 0.9157
345 43M 0.9155
346 2IM 0.9152
347 SAT 0.9150
348 LEA 0.9149
349 P72 0.9148
350 VAL 0.9148
351 F9P 0.9145
352 SRT 0.9145
353 26D 0.9142
354 ECE 0.9141
355 BP1 0.9140
356 45C 0.9139
357 3OC 0.9139
358 R2B 0.9138
359 R1X 0.9138
360 10L 0.9137
361 7EX 0.9136
362 DUC 0.9135
363 AC6 0.9132
364 OXD 0.9130
365 YAN 0.9128
366 7WA 0.9127
367 4CL 0.9127
368 MZG 0.9126
369 1AB 0.9126
370 ES4 0.9123
371 8CL 0.9121
372 E60 0.9121
373 9YL 0.9120
374 938 0.9120
375 25T 0.9117
376 AC5 0.9113
377 HAI 0.9110
378 IDH 0.9109
379 ABU 0.9109
380 FPY 0.9108
381 PEL 0.9107
382 EDG 0.9106
383 LER 0.9103
384 GOL 0.9102
385 4JJ 0.9098
386 LXC 0.9097
387 XYL 0.9097
388 RB5 0.9097
389 6X8 0.9097
390 4CH 0.9096
391 DMD 0.9096
392 9HX 0.9095
393 TPA 0.9094
394 PBE 0.9094
395 JZ2 0.9093
396 HPY 0.9092
397 R8A 0.9091
398 IPU 0.9090
399 3ID 0.9089
400 TEO 0.9087
401 SPA 0.9087
402 PEA 0.9087
403 IUR 0.9087
404 XYP 0.9085
405 40E 0.9082
406 7HP 0.9082
407 KKN 0.9082
408 DAB 0.9081
409 IHG 0.9080
410 4JO 0.9079
411 TH7 0.9078
412 271 0.9077
413 1DW 0.9076
414 27Y 0.9068
415 ILE 0.9068
416 BML 0.9067
417 TB6 0.9066
418 URP 0.9064
419 JZ3 0.9062
420 QY9 0.9061
421 H95 0.9059
422 C2N 0.9058
423 ETX 0.9057
424 286 0.9056
425 L60 0.9052
426 H3M 0.9047
427 PZI 0.9045
428 M3T 0.9045
429 HHN 0.9044
430 1P3 0.9043
431 7VD 0.9041
432 MZW 0.9039
433 93B 0.9038
434 SWD 0.9038
435 2CO 0.9035
436 ES7 0.9032
437 F4Z 0.9032
438 DCY 0.9032
439 BXO 0.9031
440 4VP 0.9031
441 3SL 0.9030
442 CIG 0.9029
443 278 0.9029
444 GLY GLY 0.9027
445 HEW 0.9026
446 TC7 0.9026
447 5WV 0.9025
448 4HS 0.9023
449 PCT 0.9020
450 MWJ 0.9019
451 7W4 0.9018
452 XUL 0.9015
453 XRG 0.9014
454 NXA 0.9013
455 TMZ 0.9012
456 XQ0 0.9010
457 K34 0.9010
458 PAH 0.9010
459 DAS 0.9010
460 ICF 0.9006
461 3OH 0.9006
462 BR9 0.9005
463 AHB 0.9005
464 RHU 0.9004
465 1DH 0.9002
466 3MC 0.9002
467 4H2 0.9002
468 CEE 0.9001
469 4JN 0.9000
470 TTO 0.8999
471 9TY 0.8999
472 HDA 0.8998
473 PAF 0.8998
474 DBB 0.8997
475 4JL 0.8993
476 ISN 0.8991
477 HSO 0.8991
478 B3R 0.8990
479 ABE 0.8990
480 PIH 0.8990
481 BU4 0.8989
482 1P7 0.8989
483 CMS 0.8988
484 39J 0.8987
485 GLY ALA 0.8986
486 BAL 0.8986
487 2MZ 0.8985
488 7N0 0.8984
489 TLD 0.8984
490 4MZ 0.8983
491 0R0 0.8982
492 4XX 0.8982
493 M1A 0.8982
494 1AC 0.8982
495 HMH 0.8981
496 SHA 0.8980
497 CXF 0.8980
498 PYM 0.8979
499 EGD 0.8978
500 AL0 0.8977
501 SAR 0.8977
502 GOJ 0.8975
503 CRN 0.8973
504 ADZ 0.8972
505 M4T 0.8972
506 3SK 0.8972
507 1SA 0.8970
508 PHU 0.8966
509 OXM 0.8965
510 5MP 0.8965
511 HGQ 0.8962
512 5B1 0.8962
513 JZ6 0.8961
514 MZY 0.8959
515 BTE 0.8959
516 PYR 0.8958
517 MR3 0.8958
518 TMT 0.8955
519 1MZ 0.8954
520 ODV 0.8953
521 EQT 0.8952
522 BUA 0.8951
523 HOW 0.8948
524 GG6 0.8946
525 XLS 0.8946
526 PPV 0.8942
527 SPV 0.8938
528 TLA 0.8938
529 5KX 0.8937
530 OPE 0.8937
531 RMN 0.8937
532 BAQ 0.8937
533 PEP 0.8935
534 CIZ 0.8935
535 3TR 0.8934
536 HGY 0.8932
537 PAC 0.8931
538 1SQ 0.8930
539 4XH 0.8930
540 CSS 0.8929
541 0V5 0.8927
542 PEQ 0.8927
543 RIB 0.8927
544 2DR 0.8927
545 RM1 0.8927
546 HH5 0.8926
547 173 0.8926
548 GYE 0.8923
549 FCN 0.8922
550 Y8I 0.8922
551 QWN 0.8921
552 BMD 0.8920
553 HGW 0.8918
554 4MV 0.8918
555 CHT 0.8917
556 QXW 0.8916
557 IOM 0.8914
558 PGA 0.8912
559 MMZ 0.8911
560 2AI 0.8911
561 GJZ 0.8910
562 LEU 0.8910
563 KPL 0.8909
564 BYZ 0.8909
565 JBK 0.8908
566 285 0.8907
567 2RA 0.8905
568 IOL 0.8904
569 JZ1 0.8904
570 717 0.8903
571 O72 0.8903
572 HH8 0.8902
573 4JM 0.8902
574 1LQ 0.8901
575 LLQ 0.8901
576 67N 0.8900
577 COU 0.8900
578 51R 0.8899
579 BAE 0.8897
580 PUT 0.8897
581 3MT 0.8895
582 MMU 0.8895
583 3F0 0.8895
584 2AQ 0.8895
585 DBH 0.8894
586 3HA 0.8893
587 DE5 0.8893
588 ES3 0.8892
589 IP0 0.8892
590 5Q0 0.8892
591 TAR 0.8890
592 2HA 0.8889
593 4XR 0.8889
594 ICC 0.8887
595 JPZ 0.8886
596 FUL 0.8886
597 XYS 0.8885
598 SGL 0.8885
599 C2A 0.8884
600 7B4 0.8881
601 JBH 0.8881
602 FBV 0.8881
603 JB5 0.8880
604 03V 0.8880
605 FFP 0.8878
606 RIP 0.8878
607 5SG 0.8877
608 8H8 0.8877
609 CFP 0.8876
610 5IQ 0.8875
611 4YS 0.8874
612 N5J 0.8873
613 3FA 0.8872
614 MEU 0.8872
615 5NU 0.8872
616 XCZ 0.8871
617 DFU 0.8871
618 GBL 0.8869
619 FB1 0.8869
620 HQY 0.8867
621 DTU 0.8865
622 4FS 0.8864
623 GMN 0.8864
624 PYG 0.8864
625 3M0 0.8864
626 DX4 0.8863
627 ES5 0.8862
628 1NP 0.8860
629 H42 0.8860
630 KOJ 0.8859
631 AZA 0.8859
632 ES1 0.8858
633 2ZV 0.8856
634 C2B 0.8856
635 2OP 0.8856
636 RP7 0.8855
637 ARB 0.8855
638 MB3 0.8855
639 4NC 0.8853
640 1LM 0.8852
641 P9P 0.8852
642 GLL 0.8850
643 DAL 0.8849
644 Q88 0.8846
645 ALA 0.8843
646 FLM 0.8841
647 98J 0.8841
648 FYU 0.8839
649 H8N 0.8837
650 AMT 0.8835
651 URQ 0.8834
652 HHQ 0.8833
653 4P5 0.8831
654 5VM 0.8830
655 FCR 0.8830
656 SNE 0.8830
657 MBD 0.8828
658 HHA 0.8827
659 6GU 0.8826
660 8K2 0.8826
661 4JT 0.8826
662 IFM 0.8826
663 ATQ 0.8825
664 RUU 0.8824
665 OCH 0.8821
666 DHB 0.8821
667 HV2 0.8821
668 36R 0.8820
669 192 0.8820
670 0MK 0.8819
671 PYZ 0.8819
672 ET2 0.8819
673 LAC 0.8818
674 1SP 0.8817
675 TSU 0.8815
676 I3A 0.8814
677 A2F 0.8814
678 2C9 0.8814
679 7HQ 0.8814
680 1CB 0.8813
681 6AP 0.8812
682 HIS 0.8812
683 1XN 0.8811
684 G3P 0.8808
685 GLU 0.8806
686 23A 0.8805
687 PE9 0.8804
688 GUA 0.8803
689 HDH 0.8803
690 PIS 0.8803
691 069 0.8802
692 FUC 0.8799
693 9RW 0.8799
694 2MY 0.8798
695 J9T 0.8798
696 BCP 0.8797
697 CWM 0.8796
698 290 0.8796
699 1XX 0.8795
700 7MU 0.8794
701 1P8 0.8794
702 3DO 0.8791
703 47J 0.8791
704 3HM 0.8791
705 DS0 0.8790
706 XX2 0.8789
707 NSP 0.8789
708 9TW 0.8789
709 AKG 0.8789
710 25W 0.8787
711 6M1 0.8787
712 CLW 0.8787
713 A20 0.8786
714 5RG 0.8785
715 6F0 0.8784
716 YHO 0.8783
717 GRE 0.8781
718 5OB 0.8777
719 A3B 0.8777
720 SJ5 0.8777
721 0CU 0.8776
722 3CE 0.8775
723 NNO 0.8775
724 261 0.8774
725 ES0 0.8772
726 3MH 0.8771
727 HMU 0.8770
728 BOA 0.8769
729 QSB 0.8769
730 24W 0.8768
731 BUO 0.8767
732 LT2 0.8765
733 2HO 0.8764
734 24B 0.8763
735 3XX 0.8762
736 NIS 0.8761
737 FA0 0.8760
738 G2H 0.8759
739 FBW 0.8759
740 FHB 0.8758
741 XAN 0.8757
742 MYJ 0.8757
743 A09 0.8756
744 NAK 0.8755
745 4A3 0.8755
746 64K 0.8754
747 93K 0.8750
748 TIU 0.8750
749 GUN 0.8749
750 ZZT 0.8749
751 JLZ 0.8748
752 DTI 0.8748
753 4ZC 0.8747
754 Z6J 0.8743
755 FCA 0.8742
756 INO 0.8741
757 ORO 0.8741
758 8OZ 0.8740
759 YH7 0.8739
760 IGA 0.8738
761 AAS 0.8737
762 42A 0.8736
763 DOB 0.8736
764 5CU 0.8736
765 5Y9 0.8736
766 VGD 0.8733
767 LZM 0.8733
768 2CM 0.8732
769 SX1 0.8731
770 MTG 0.8730
771 2D0 0.8728
772 4SD 0.8727
773 BHA 0.8724
774 4M0 0.8723
775 GTQ 0.8722
776 DOR 0.8722
777 ITU 0.8722
778 IHB 0.8722
779 0OC 0.8721
780 BZ3 0.8720
781 6MH 0.8718
782 ES2 0.8718
783 9DG 0.8714
784 URS 0.8714
785 3PF 0.8713
786 141 0.8709
787 AZG 0.8709
788 54G 0.8705
789 2AS 0.8704
790 POP 0.8703
791 A8C 0.8703
792 FJO 0.8703
793 5M0 0.8703
794 5MK 0.8702
795 9X6 0.8702
796 FUF 0.8700
797 6CS 0.8700
798 SAN 0.8699
799 OXC 0.8699
800 9TZ 0.8698
801 F5B 0.8696
802 MSF 0.8696
803 BTL 0.8695
804 K2T 0.8691
805 F81 0.8690
806 8X3 0.8689
807 2AL 0.8687
808 JA8 0.8685
809 TAU 0.8684
810 1XM 0.8679
811 DFB 0.8678
812 3GR 0.8677
813 TM4 0.8676
814 2PN 0.8676
815 G6D 0.8674
816 FBB 0.8673
817 YTB 0.8670
818 KSW 0.8670
819 CHB 0.8670
820 M2H 0.8669
821 D1X 0.8668
822 ETM 0.8665
823 DUB 0.8663
824 FP1 0.8660
825 3Z7 0.8660
826 FBS 0.8659
827 PPF 0.8658
828 1M2 0.8654
829 JIF 0.8651
830 ACH 0.8648
831 AW5 0.8647
832 6HQ 0.8645
833 259 0.8640
834 HX3 0.8639
835 MR1 0.8638
836 G3E 0.8637
837 4J8 0.8637
838 4FA 0.8636
839 5QY 0.8632
840 R8S 0.8631
841 GLC 0.8627
842 XQG 0.8625
843 13P 0.8625
844 DMI 0.8624
845 ALQ 0.8623
846 SC2 0.8622
847 POA 0.8622
848 DQY 0.8621
849 NEQ 0.8621
850 RAM 0.8618
851 4NM 0.8613
852 ARA 0.8613
853 2HE 0.8602
854 NOJ 0.8596
855 R8V 0.8593
856 4AX 0.8591
857 SYV 0.8578
858 D48 0.8560
859 XIY 0.8560
860 SLP 0.8554
861 OVP 0.8552
862 E5X 0.8549
863 2HQ 0.8548
864 HSL 0.8547
865 XXR 0.8540
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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