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Receptor
PDB id Resolution Class Description Source Keywords
3TDC 2.41 Å EC: 6.4.1.2 CRYSTAL STRUCTURE OF HUMAN ACETYL-COA CARBOXYLASE 2 HOMO SAPIENS BIOTIN MALONYL-COA CARBOXYLASE LIGASE-LIGASE INHIBITOR CO
Ref.: DESIGN, SYNTHESIS, AND STRUCTURE-ACTIVITY RELATIONS SPIROLACTONES BEARING 2-UREIDOBENZOTHIOPHENE AS ACE CARBOXYLASES INHIBITORS. BIOORG.MED.CHEM.LETT. V. 21 6314 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0EU A:3000;
Valid;
none;
ic50 = 13 nM
512.664 C27 H36 N4 O4 S CCNC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TDC 2.41 Å EC: 6.4.1.2 CRYSTAL STRUCTURE OF HUMAN ACETYL-COA CARBOXYLASE 2 HOMO SAPIENS BIOTIN MALONYL-COA CARBOXYLASE LIGASE-LIGASE INHIBITOR CO
Ref.: DESIGN, SYNTHESIS, AND STRUCTURE-ACTIVITY RELATIONS SPIROLACTONES BEARING 2-UREIDOBENZOTHIOPHENE AS ACE CARBOXYLASES INHIBITORS. BIOORG.MED.CHEM.LETT. V. 21 6314 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3TDC ic50 = 13 nM 0EU C27 H36 N4 O4 S CCNC(=O)Nc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 2X24 - X24 C30 H38 N4 O3 CC(C)(C)OC....
2 3TDC ic50 = 13 nM 0EU C27 H36 N4 O4 S CCNC(=O)Nc....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 2X24 - X24 C30 H38 N4 O3 CC(C)(C)OC....
2 3K8X - B89 C17 H24 Cl N O4 CC/C(=NOC/....
3 3H0Q - B37 C32 H29 N3 O Cc1ccc2cc(....
4 1UYR - D1L C15 H12 Cl2 O4 C[C@H](C(=....
5 5CTB - 57J C24 H25 N3 O3 Cc1cc(cc2c....
6 5CTE - 57L C24 H34 N4 O3 Cc1cc(cc2c....
7 4WZ8 - 3W7 C22 H25 N5 O2 CC(C)n1c2c....
8 3TVU - B37 C32 H29 N3 O Cc1ccc2cc(....
9 3H0S - B38 C22 H21 N3 O3 Cc1ccc2c(c....
10 3TDC ic50 = 13 nM 0EU C27 H36 N4 O4 S CCNC(=O)Nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0EU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0EU 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TDC; Ligand: 0EU; Similar sites found with APoc: 765
This union binding pocket(no: 1) in the query (biounit: 3tdc.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPE TM3 None
2 3IWJ NAD 0.994036
3 4WRI OKA 1.04167
4 4IA6 EIC 1.18443
5 1GNI OLA 1.19658
6 2OBD PCW 1.2605
7 2OBD 2OB 1.2605
8 2HKJ RDC 1.27932
9 4KCF AKM 1.32159
10 3NKS ACJ 1.46751
11 4QVH COA 1.50502
12 1EWF PC1 1.53509
13 2GMH UQ5 1.5411
14 4OPC FDA 1.54525
15 4OPC PGT 1.54525
16 5CX6 CDP 1.56028
17 4O1Z MXM 1.58172
18 2Q6B HR2 1.5873
19 2ZPA ACO 1.63934
20 5Y0T TAT 1.64706
21 1EE4 PRO ALA ALA LYS ARG VAL LYS LEU ASP 1.65485
22 1QM5 PLP 1.70604
23 4Z87 GDP 1.71429
24 3HOK Q80 1.71674
25 4PXZ 6AD 1.71674
26 6ARJ BW4 1.7192
27 6ARJ SAH 1.7192
28 3UR0 SVR 1.74757
29 4ZVV NAD 1.80723
30 4ZVV GN0 1.80723
31 4YDQ HFG 1.81087
32 4YDQ ANP 1.81087
33 3D9F FAD 1.82648
34 3D9F N6C 1.82648
35 4QWT ACD 1.86782
36 4RFM 3P6 1.8797
37 2HHP FLC 1.88679
38 2Q2Y MKR 1.90736
39 2Q2Y ADP 1.90736
40 5ZYN FAD 1.91083
41 2E9L BGC 1.91898
42 2E9L PLM 1.91898
43 2E9L OLA 1.91898
44 2XSU PIE 1.92308
45 3RWP ABQ 1.92926
46 4DJA FAD 1.9305
47 4DJA DLZ 1.9305
48 4NKW PLO 1.9685
49 4DP3 NDP 1.97368
50 5A3B APR 1.9802
51 4N4J HG1 2
52 2X5W K2B 2.04545
53 4EI7 GDP 2.05656
54 3CV2 COA 2.06767
55 5IJJ I6P 2.08333
56 2WDA L42 2.0915
57 5KJK SAM 2.0979
58 5KJK 6T1 2.0979
59 3KJS DQ1 2.11132
60 3KJS NAP 2.11132
61 5I7S E9P 2.17391
62 5I7S NAD 2.17391
63 6D28 NEC 2.1978
64 5BNW 12V 2.213
65 4GYW UDP 2.213
66 4N3A UDP 2.213
67 6AP8 BNY 2.23048
68 4A0S NAP 2.23714
69 1YSL COA 2.23881
70 4ORM 2V6 2.24439
71 4ORM ORO 2.24439
72 4ORM FMN 2.24439
73 5KDS A2G THR ALA PRO GLY GLY NAG SIA 2.26415
74 3LSJ COA PLM 2.27273
75 3LSJ PLM COA 2.27273
76 4Y30 49L 2.2792
77 4Y30 SAH 2.2792
78 4EIL FOL 2.29682
79 3SQP 3J8 2.30126
80 5IH1 6BQ 2.31788
81 5IH1 GDP 2.31788
82 4CJN MUR 2.33645
83 3QCP FAD 2.34043
84 6AYB KKK 2.36052
85 6MVU K4V 2.3622
86 4OKS 2T9 2.37069
87 6C8R EQV 2.37467
88 5OHJ 9VE 2.3753
89 3HKW IX6 2.40964
90 6EJI UD2 2.41287
91 5K0A FAD 2.42424
92 5O2N NAG NAG NDG NAG 2.43507
93 2HJR CIT 2.43902
94 4G86 BNT 2.46479
95 5M8T 0TR 2.46637
96 5UIJ TYD 2.46914
97 4P8K 38C 2.5
98 4P8K FAD 2.5
99 5J60 FAD 2.5
100 1XMU ROF 2.51256
101 1XM4 PIL 2.51256
102 1XMY ROL 2.51256
103 4OMJ 2TX 2.51799
104 4B7H NDP 2.52427
105 3B99 U51 2.52632
106 2BVN ENX 2.54453
107 4DHY S41 2.55864
108 4KVL PLM 2.57649
109 4Y1B NAP 2.58824
110 3I51 6PL 2.59259
111 6C1R EFD 2.60664
112 5WIU AQD 2.60664
113 2Y31 SMQ 2.62172
114 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 2.62295
115 3G58 988 2.62467
116 6ADI 9UO 2.6253
117 4QGE 35O 2.62664
118 6C7D EOJ 2.63158
119 4OB6 S2T 2.6393
120 3P3G 3P3 2.66667
121 3P3G UKW 2.66667
122 1SR7 MOF 2.7027
123 4OAR 2S0 2.71318
124 4D7M TDC 2.76498
125 4EWN 0VR 2.7668
126 2Z9I GLY ALA THR VAL 2.77778
127 6BR9 PGV 2.78552
128 6BR9 6OU 2.78552
129 4M52 M52 2.7897
130 4M52 FAD 2.7897
131 2PSJ CEI 2.82132
132 2WW4 ADP 2.82686
133 3GWT 066 2.83286
134 5LUN OGA 2.84091
135 5LUN ARG 2.84091
136 5W7D PX8 2.84698
137 1M13 HYF 2.8481
138 4X60 3XV 2.85714
139 4X60 SFG 2.85714
140 6CGN DA 2.85714
141 1XON PIL 2.86533
142 3UA1 08Y 2.87474
143 5KOR GDP 2.87908
144 1OLM VTQ 2.88714
145 3NB0 G6P 2.89655
146 5B0I BOG 2.91545
147 2BL9 NDP 2.94118
148 2BL9 CP6 2.94118
149 5F5R ANP 2.94118
150 1P3D ANP 2.94737
151 1GQY ACP 2.94737
152 5EW9 5VC 2.95203
153 5B25 4QJ 2.95858
154 1YQZ FAD 2.96804
155 4ZE0 VOR 2.96846
156 5J6A P46 3
157 1K6M AGS 3.00926
158 2YPO PHE 3.0303
159 1G2N EPH 3.0303
160 2ZKJ ADP 3.04569
161 2YIV YIV 3.04878
162 2C9E PID 3.0581
163 2C9E DGD 3.0581
164 3F3E LEU 3.08285
165 3IA4 MTX 3.08642
166 3IA4 NDP 3.08642
167 5HWO HMG 3.09524
168 3NRR UMP 3.1068
169 3NRR D16 3.1068
170 3R9C ECL 3.11005
171 3VGL ANP 3.11526
172 1RV0 NDG 3.125
173 6B2M COA 3.14685
174 3E8T UQ8 3.18182
175 2HJ3 FAD 3.2
176 4DOL PLM 3.22581
177 2Z7I 742 3.23529
178 1YMT DR9 3.25203
179 5OSW AE4 3.25901
180 5OSW DIU 3.25901
181 2ALG DAO 3.26087
182 5MFI LYS ARG LYS ARG LYS ARG LYS ARG 3.29218
183 6MDE MEV 3.30033
184 4XSU UDP 3.35052
185 4XSU GLC 3.35052
186 5K7K 6RJ 3.3543
187 4BPM LVJ 3.37079
188 4HJY NAG NAG NAG 3.39806
189 2FZH DH1 3.39806
190 3AAQ ARU 3.39943
191 2WZV FMN 3.40426
192 1M5B BN1 3.42205
193 3PXP MYR 3.42466
194 3ET3 ET1 3.42466
195 4ZBR NPS 3.43053
196 4ZBR DIF 3.43053
197 3LLI FAD 3.44828
198 5OLZ T4E 3.45622
199 1V0C KNC 3.46535
200 1V0C ACO 3.46535
201 1K7L 544 3.47222
202 3SP6 IL2 3.50877
203 3GWN FAD 3.50877
204 4I6G FAD 3.51562
205 4P6X HCY 3.52941
206 3B1M KRC 3.53357
207 1UDY CS8 3.53535
208 1XPM CAA 3.53535
209 1XPM HMG 3.53535
210 1DMH LIO 3.53698
211 5UC9 MYR 3.53982
212 4LY9 1YY 3.54331
213 4LY9 S6P 3.54331
214 1ZDU P3A 3.54331
215 2HFP NSI 3.5461
216 3E3U NVC 3.5533
217 1RX0 2MC 3.56234
218 5XDT ZI7 3.57143
219 3G5N PB2 3.57143
220 4P6W MOF 3.57143
221 6BR8 PGV 3.57143
222 6BR8 6OU 3.57143
223 2O1V ADP 3.6036
224 4UA3 COA 3.60825
225 1XPK HMG 3.60825
226 1XPK CAA 3.60825
227 3KDU NKS 3.61011
228 2P4Y C03 3.61011
229 6CS8 F9Y 3.63036
230 4AG9 COA 3.63636
231 5AK0 8V1 3.65385
232 3T58 FAD 3.66089
233 4OYA 1VE 3.67454
234 2I0G I0G 3.67454
235 3FUR Z12 3.67647
236 5TWO 7MV 3.67647
237 1YKI FMN 3.68664
238 1YKI NFZ 3.68664
239 3G9E RO7 3.69004
240 6EXS C3H 3.6961
241 2NPA MMB 3.7037
242 3GZ9 D32 3.71747
243 2P54 735 3.74532
244 3FEI CTM 3.74532
245 3LN0 52B 3.74787
246 1KOR SIN 3.75
247 1KOR ARG 3.75
248 1KOR ANP 3.75
249 3X1M COA 3.77358
250 3K9U ACO 3.77358
251 3BEJ MUF 3.78151
252 5IBE 69M 3.78788
253 3KDJ A8S 3.79747
254 1MZC BNE 3.80577
255 1MZC FPP 3.80577
256 4CFP NAG AMU NAG AMV 3.81232
257 4RHE FMN 3.82775
258 4QJK COA 3.82979
259 3OKI OKI 3.86266
260 3LEO GSH 3.87097
261 1KZN CBN 3.90244
262 2JFZ DGL 3.92157
263 2JFZ 003 3.92157
264 5LX9 OLB 3.93701
265 1N1G BCP 3.93701
266 6EOP F15 3.93701
267 5L4L 7OX 3.94737
268 3WYJ H78 3.95257
269 3HB5 E2B 3.97554
270 4OIV XX9 3.9823
271 3NIP 16D 3.98773
272 5U3B 7TD 4.01338
273 3LDW ZOL 4.0404
274 3LDW IPE 4.0404
275 1YKJ PHB 4.06091
276 1YKJ FAD 4.06091
277 6BA2 7KM 4.0678
278 4U0S ADP 4.06977
279 5N7O 69Y 4.0724
280 3B96 MYA 4.08859
281 6F6E PLM 4.11392
282 3V49 PK0 4.13534
283 2JJK R15 4.14201
284 3KC1 2T6 4.1543
285 4DR9 BB2 4.16667
286 5X5M 7YU 4.16667
287 4DW4 U5P 4.19162
288 3NHT U46 4.19948
289 5EE7 5MV 4.20354
290 5JNN 6LM 4.21053
291 5LLT DND 4.22535
292 6BWL UDP 4.26829
293 4XU6 TDA 4.28571
294 4XPL ACO 4.29448
295 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 4.30464
296 4Q0A 4OA 4.30464
297 4ZAL FNR 4.30622
298 4ZAL 4LR 4.30622
299 3GKJ HC3 4.31034
300 5AZC PGT 4.33333
301 5LGA 6VH 4.33333
302 3KFC 61X 4.34783
303 4E2J MOF 4.4
304 1WWZ ACO 4.40252
305 4MNS 2AX 4.40252
306 1LBT T80 4.4164
307 3GN8 DEX 4.41767
308 5UFS 1TA 4.43548
309 6CB2 OLC 4.43686
310 1TIQ COA 4.44444
311 1BWO LPC 4.44444
312 6B5Q PPI CZS 2KY MLY 1XY 4.44444
313 5A8E XTK 4.44444
314 2GSQ GBI 4.45545
315 6AP6 TLF 4.46097
316 1EM6 NBG 4.46194
317 5B0W 22B 4.46735
318 4QC6 30N 4.46927
319 4NE2 SH2 4.49102
320 4NE2 ADP 4.49102
321 2EV1 OLA 4.5045
322 3G4G D71 4.51306
323 1H9G COA MYR 4.52675
324 3OV6 MK0 4.53401
325 4H07 IPH 4.54545
326 5UGW GSH 4.57143
327 4V3I ASP LEU THR ARG PRO 4.66926
328 1M2Z BOG 4.66926
329 1M2Z DEX 4.66926
330 1BOB ACO 4.6875
331 1XVB 3BR 4.70588
332 5ZM0 FAD 4.71513
333 2WPX ACO 4.71976
334 5EY0 GTP 4.74453
335 2J07 FAD 4.7619
336 2J07 HDF 4.7619
337 2XXP DSL 4.77387
338 3N7H DE3 4.8
339 1CMC SAM 4.80769
340 4EKQ NPO 4.81283
341 6C28 WCA 4.83871
342 2DQA NAG NAG NAG 4.83871
343 4OR7 25U 4.84848
344 4OR7 NAP 4.84848
345 5IKH 6BW 4.90909
346 2JFN UMA 4.91228
347 4YV5 SVR 4.91803
348 2C78 PUL 4.93827
349 8CAT NDP 4.94071
350 5UC1 486 4.95496
351 4L1F COS 4.96084
352 2WCJ M21 4.96454
353 4DXJ 0M9 4.97238
354 4DXJ IPE 4.97238
355 2WYV NAD 4.98084
356 2DRC MTX 5.03145
357 1LAF ARG 5.04202
358 3PE2 E1B 5.04451
359 1WMA AB3 5.07246
360 4IGH 1EA 5.10753
361 4IGH ORO 5.10753
362 4IGH FMN 5.10753
363 4V24 GYR 5.12129
364 5DXV NAP 5.12821
365 4YSX E23 5.12821
366 5XK9 DMA 5.17241
367 5XK9 GST 5.17241
368 2OBF F83 5.19031
369 2OBF SAH 5.19031
370 5NKB 8ZT 5.22876
371 2F99 AKV 5.22876
372 1LN1 DLP 5.24934
373 2WPF WPF 5.25253
374 2WPF FAD 5.25253
375 5IXK 6EW 5.26316
376 3IAE D7K 5.26316
377 3IX9 MTX 5.26316
378 4F4S EFO 5.26316
379 3IX9 NDP 5.26316
380 1YKD CMP 5.27638
381 1NHX FTB 5.28
382 1NHX PEP 5.28
383 2GMV UN8 5.28
384 5K52 OCD 5.28302
385 3MPI GRA 5.28967
386 1DR1 HBI 5.29101
387 1DR1 NAP 5.29101
388 4QJR PIZ 5.30612
389 2WPW ACO 5.30973
390 2BIF BOG 5.33049
391 2BIF SIN 5.33049
392 2BIF ANP 5.33049
393 2XEM SSV 5.33333
394 2H7C COA 5.35055
395 5Z1N PEF 5.35714
396 1QG6 NAD 5.36398
397 1QG6 TCL 5.36398
398 5CJH 522 5.38058
399 5LJ0 6XX 5.38462
400 1ZDT PEF 5.39419
401 2OKL BB2 5.40541
402 1DB1 VDX 5.40541
403 4UMX VVS 5.41176
404 5NTP 98E 5.46218
405 3G5K BB2 5.46448
406 1Y8O ADP 5.46875
407 5F1R 42O 5.48523
408 4LNU GDP 5.51181
409 3R1V AZB 5.51181
410 4OHU 2TK 5.53633
411 4OHU NAD 5.53633
412 3ZCN ATP 5.55556
413 3NMV PYV 5.55556
414 1DTL BEP 5.59006
415 6CHP F0Y 5.59006
416 3DZT EAH 5.61056
417 2CNT COA 5.625
418 5OKL PAM 5.6314
419 2R40 EPH 5.6391
420 2P1C GG3 5.64103
421 3TL1 JRO 5.66038
422 5CSD ACD 5.66038
423 4DE3 DN8 5.70342
424 2XMY CDK 5.7047
425 5DEY 59T 5.72391
426 5K53 STE 5.72519
427 1S8G DAO 5.78512
428 3EM0 CHD 5.7971
429 1TMX HGX 5.80205
430 2GJ3 FAD 5.83333
431 4HBM 0Y7 5.83333
432 5KTC COA 5.85106
433 5KTC FUH 5.85106
434 4GFD 0YB 5.85366
435 5D1R 56S 5.85774
436 3ANP DAO 5.88235
437 3ANP DCC 5.88235
438 4LWU 20U 5.88235
439 3SFI 3SF 5.9322
440 3KO0 TFP 5.94059
441 4PJT 2YQ 5.94595
442 5AAV GW5 5.95238
443 4EJ1 FOL 5.97015
444 5YJF SAH 5.98592
445 5YJF 8WO 5.98592
446 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 6
447 4B5P ACO 6
448 3IPQ 965 6.00707
449 3WCA FPS 6.0274
450 3SCM LGN 6.06061
451 3G08 FEE 6.06061
452 5K7H IVC 6.06061
453 4WPF 3SN 6.06061
454 5I8F ML1 6.06061
455 1Q3A NGH 6.06061
456 5UR6 8KM 6.07735
457 5C2H 4PX 6.07735
458 3L9R L9R 6.12245
459 4DS8 A8S 6.12245
460 3L9R L9Q 6.12245
461 3R5Y F42 6.12245
462 4PGK Y69 6.14754
463 5FM0 WAQ 6.15385
464 3WHB DCC 6.18557
465 4M4Q 21A 6.22407
466 5NTW 98N 6.22568
467 4TWP AXI 6.27306
468 4XOQ F42 6.28019
469 1P0H COA 6.28931
470 1P0H ACO 6.28931
471 2JBZ COA 6.29371
472 4I4B NAD 6.30841
473 4I4B 1CV 6.30841
474 3ZJ0 ACO 6.31068
475 5X3R 7Y3 6.34146
476 4LA7 A1O 6.34441
477 5DLY 5D7 6.39098
478 3ER9 3AT 6.39731
479 3B6C SDN 6.41026
480 6BTN E8M 6.43564
481 3MBG FAD 6.47482
482 3QP8 HL0 6.52174
483 2QHD DAO 6.55738
484 5MTE BB2 6.56934
485 5LKT BCO 6.57439
486 4AVB ACO 6.60661
487 3VRV YSD 6.64207
488 3R9V DXC 6.64336
489 3COW 52H 6.64452
490 6B21 C9V 6.65025
491 5LD8 6U5 6.66667
492 4WT2 3UD 6.66667
493 3W54 RNB 6.68693
494 4F7E 0SH 6.71378
495 1ZVX FIN 6.74847
496 4RC8 STE 6.75676
497 4KOT CE3 6.79012
498 4QVB F42 6.80272
499 3O01 DXC 6.81818
500 5MEX SZZ 6.8323
501 3AJH BL3 6.85484
502 4M0R 644 6.86016
503 2NNQ T4B 6.87023
504 5CG1 NAD BBN 6.88525
505 4I67 G G G RPC 6.89655
506 6AOV SIA GAL NAG GAL NAG 6.89655
507 3KXC PLM 6.96203
508 1T27 PCW 7.01107
509 4NB5 2JT 7.01754
510 3FAL REA 7.02479
511 2Q4V ACO 7.05882
512 5WRE 7TL 7.09677
513 5EYP GDP 7.10059
514 2BJ4 OHT 7.14286
515 1FM9 570 7.14286
516 3U5S FAD 7.14286
517 1FM9 9CR 7.14286
518 6A5Y 9CR 7.14286
519 4TV1 36M 7.17131
520 3UUD EST 7.17131
521 3JUC PCA 7.18954
522 2HFN FMN 7.18954
523 4LPG 1MV 7.2
524 3O55 FAD 7.2
525 6FFI D8B 7.20721
526 3V78 ET 7.21154
527 3HCN CHD 7.24234
528 4U9W COA 7.24638
529 2QE4 JJ3 7.25806
530 2GTE VA 7.25806
531 3IIS PID 7.28477
532 4OAS 2SW 7.29167
533 5CHR 4NC 7.29927
534 2VL8 UDP 7.32601
535 2VL8 CTS 7.32601
536 1VPV PLM 7.33333
537 1GHE ACO 7.34463
538 4POJ 2VP 7.35931
539 4R6W PC 7.36434
540 2E2R 2OH 7.37705
541 1P1M MET 7.38916
542 6GD6 EVB 7.40741
543 5Y6Q FAD 7.40741
544 5G57 6M5 7.5
545 3GWL FAD 7.54717
546 3E2M E2M 7.56757
547 1M7G AV2 7.58294
548 3E85 BSU 7.59494
549 5ECP JAA 7.62332
550 5ECP ATP 7.62332
551 5ECP MET 7.62332
552 4XCZ T3Q 7.67386
553 5ZQ4 AMP 7.69231
554 1G27 BB1 7.7381
555 5NI5 8YB 7.74278
556 6ESN BWE 7.74278
557 5BQI GSH 7.79221
558 5BQI 4UL 7.79221
559 5EXA 5SO 7.82609
560 4ASJ N6A 7.84983
561 1HBK MYR 7.86517
562 4ORR PE3 7.89474
563 3IWK NAD 7.95229
564 5XJ8 NKO 7.9602
565 3ZKK XYP XYP XYP XYP 7.99031
566 1SBR VIB 8
567 4WO4 JLS 8.0292
568 4R29 SAM 8.03571
569 2CB8 MYA 8.04598
570 5WL1 D3D 8.08081
571 5WL1 CUY 8.08081
572 5U98 1KX 8.08081
573 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 8.08081
574 3DBX PLM 8.08081
575 4I9B NAD 8.12379
576 4NAT ADP 8.125
577 1FCH TYR GLN SER LYS LEU 8.15217
578 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 8.16327
579 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 8.16327
580 2BHW NEX 8.18966
581 2BHW LUX 8.18966
582 2WSA MYA 8.21918
583 2WSA 646 8.21918
584 1RV1 IMZ 8.23529
585 5HIP 61O 8.25082
586 1YRX FMN 8.26446
587 5GUE GGS 8.45921
588 5D9J 0N8 8.55615
589 6FX0 E9T 8.59031
590 3KMR EQN 8.64662
591 3KMZ EQO 8.64662
592 4WQ2 3SU 8.67052
593 3T6E UQ9 8.79121
594 5C1M OLC 8.8
595 3WDM ADN 8.81226
596 3HYW DCQ 8.83721
597 3ZLR X0B 8.86076
598 5LOF 70R 8.88031
599 4URN NOV 8.88889
600 1FX8 BOG 8.8968
601 2C31 ADP 8.97887
602 2C31 TZD 8.97887
603 2QZT PLM 9.00901
604 2VZZ SCA 9.17431
605 5B4B LP5 9.27419
606 4IBF 1D5 9.30233
607 5ITZ GDP 9.30233
608 1FCZ 156 9.3617
609 4QJL COA 9.3617
610 1YOK P6L 9.375
611 4WZV E40 9.375
612 1YUC EPH 9.41177
613 5J6D 6H5 9.44625
614 4NSQ COA 9.47368
615 2PX6 DH9 9.49367
616 4JE7 BB2 9.64467
617 4G31 0WH 9.699
618 5V13 JH3 9.72222
619 1DKF BMS 9.78723
620 4KWD JF2 9.87261
621 3RET PYR 9.90099
622 3RET SAL 9.90099
623 3WV1 WHH 9.94152
624 3WR7 COA 10
625 1N4H REA 10.0386
626 4HA9 NDP 10.0402
627 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 10.0418
628 4IAE 1DX 10.0529
629 3KV8 FAH 10.0719
630 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 10.101
631 5YWX GSH 10.101
632 5YWX 93C 10.101
633 4EOY ASN ASP TRP LEU LEU PRO SER TYR 10.1562
634 1U70 NDP 10.2151
635 1U70 MTX 10.2151
636 4WGF HX2 10.2439
637 5HGZ ACO 10.2881
638 4RYV ZEA 10.3226
639 3SE5 ANP 10.3659
640 1HG4 LPP 10.3943
641 1OQC FAD 10.4
642 1VGV UD1 10.4167
643 1XW6 GSH 10.5505
644 5YJI SAH 10.5634
645 5YJI 8WO 10.5634
646 1NQ7 ARL 10.6557
647 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 10.6557
648 5IF4 6AK 10.6918
649 6FS0 E4W 10.6918
650 2EIX FAD 10.6996
651 1N8V BDD 10.7143
652 5H86 BCO 10.7143
653 3RUG DB6 10.7884
654 3RMK BML 10.8434
655 3D78 NBB 10.9244
656 4YDU ADP 10.9705
657 4D42 NAP 10.9929
658 4D42 W0I 10.9929
659 4IHL 1F5 11.1111
660 1LNX URI 11.1111
661 4XCP PLM 11.1765
662 3QUZ QUV 11.2033
663 4R57 ACO 11.3636
664 2PRG BRL 11.3636
665 1JUV NDP 11.399
666 2JEV NHQ 11.4943
667 5MOB A8S 11.6379
668 3OLL EST 11.6667
669 4CRZ ACO 11.6788
670 3NBK PNS 11.8644
671 5LXT GDP 11.8881
672 5LXT 7AK 11.8881
673 5LXT GTP 11.8881
674 3RYC GTP 11.8881
675 4S15 4D8 12.1094
676 3RLF MAL 12.4514
677 5CC2 CKA 12.4528
678 5HH0 COA 12.5
679 5W8Q BU4 12.5641
680 1S17 GNR 12.7778
681 3PG7 PTY 12.8906
682 5K04 COA 12.9412
683 2OFW ADX 12.9808
684 3HUJ AGH 13.0081
685 2GQT FAD 13.0597
686 2WG9 OCA 13.0769
687 5UC4 83S 13.1818
688 5WGD EST 13.41
689 2QZO KN1 13.5659
690 5HYR EST 13.5659
691 2QA8 GEN 13.5659
692 1JR8 FAD 13.6752
693 4TUZ 36J 13.7255
694 1GUX ASP LEU TYR CYS TYR GLU GLN LEU ASN 13.8158
695 3KRO DST 13.8686
696 3KRO IPE 13.8686
697 2VBQ BSJ 13.9394
698 4P3H 25G 13.9896
699 2FT0 ACO 14.0426
700 1USF FMN 14.0449
701 1USF NAP 14.0449
702 5LWY OLB 14.2857
703 4URL XAM 14.2857
704 1AOE GW3 14.5833
705 1AOE NDP 14.5833
706 2LBD REA 14.6067
707 4FHT DHB 14.6497
708 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 14.7059
709 2OOR TXP 14.9425
710 4DM8 REA 14.9813
711 5OM2 DXT 15
712 2BCG GER 15.0485
713 5CYV WCA 15.0685
714 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 15.6522
715 3QP4 HL0 15.9341
716 4OGQ 2WM 16.2162
717 4OGQ 2WA 16.2162
718 4OGQ 7PH 16.2162
719 2IBZ UQ6 16.6667
720 3QCJ NX4 16.7742
721 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 17.029
722 5LS7 ACO 17.0732
723 5H94 LYS MET ASN THR GLN PHE THR ALA VAL 17.0909
724 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 17.0909
725 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 17.0909
726 4KVX ACO 17.3077
727 1I1D 16G 18.0124
728 1YC4 43P 18.1818
729 3F8C HT1 19.0476
730 5YZC 95C 19.1489
731 5MT9 SRO 20
732 5MT9 ARG 20
733 4XIZ LPP 20
734 5W7B MYR 20.5674
735 3AWJ COA 21.6418
736 5FVJ ACO 21.6867
737 5APK 76E 23.0189
738 3QKD HI0 23.2044
739 2XCM ADP 23.3645
740 5MWE TCE 24.2857
741 2FKW RG1 24.3902
742 2Y69 CHD 25.7732
743 2WOR 2AN 26
744 1T57 FMN 26.2136
745 2VWA PTY 26.7327
746 5N8V KZZ 28.9855
747 4G2R H1L 29.1755
748 2DYR TGL 29.4118
749 2DYR PEK 29.4118
750 2DYS PEK 29.4118
751 2DYS TGL 29.4118
752 5ZCO TGL 29.4118
753 5ZCO PEK 29.4118
754 5W97 CHD 29.4118
755 5Z84 PGV 29.4118
756 2DYR PGV 29.4118
757 5Z84 TGL 29.4118
758 2DYS PGV 29.4118
759 5ZCO CHD 29.4118
760 5Z84 CHD 29.4118
761 5ZCO PGV 29.4118
762 1RDT 570 30.4348
763 3DCT 064 33.3333
764 5EIB GTP 34.7826
765 5NNT DPV 37.8378
Pocket No.: 2; Query (leader) PDB : 3TDC; Ligand: 0EU; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 3tdc.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2Z49 AMG 2.31481
2 2Z48 NGA 2.31481
3 3BRE C2E 3.35196
4 5JBX MLI 4.21456
5 5KK4 44E 6.25
Pocket No.: 3; Query (leader) PDB : 3TDC; Ligand: 0EU; 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: 3tdc.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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