Receptor
PDB id Resolution Class Description Source Keywords
5N9X 2.4 Å NON-ENZYME: OTHER STRUCTURE OF ADENYLATION DOMAIN THR1 INVOLVED IN THE BIOSYNT 4-CHLOROTHREONINE IN STREPTOMYCES SP.OH-5093, LIGAND BOUND STREPTOMYCES SP. ADENYLATION DOMAIN SUBSTRATE SPECIFICITY NON-RIBOSOMAL CODTHREONINE ADENYLATE LIGASE
Ref.: STRUCTURE OF THE ADENYLATION DOMAIN THR1 INVOLVED I BIOSYNTHESIS OF 4-CHLOROTHREONINE IN STREPTOMYCES S OH-5093-PROTEIN FLEXIBILITY AND MOLECULAR BASES OF SPECIFICITY. FEBS J. V. 284 2981 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:603;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
THR A:601;
Valid;
none;
submit data
119.119 C4 H9 N O3 C[C@H...
ATP A:602;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
8QN B:601;
Valid;
none;
submit data
448.325 C14 H21 N6 O9 P C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5N9X 2.4 Å NON-ENZYME: OTHER STRUCTURE OF ADENYLATION DOMAIN THR1 INVOLVED IN THE BIOSYNT 4-CHLOROTHREONINE IN STREPTOMYCES SP.OH-5093, LIGAND BOUND STREPTOMYCES SP. ADENYLATION DOMAIN SUBSTRATE SPECIFICITY NON-RIBOSOMAL CODTHREONINE ADENYLATE LIGASE
Ref.: STRUCTURE OF THE ADENYLATION DOMAIN THR1 INVOLVED I BIOSYNTHESIS OF 4-CHLOROTHREONINE IN STREPTOMYCES S OH-5093-PROTEIN FLEXIBILITY AND MOLECULAR BASES OF SPECIFICITY. FEBS J. V. 284 2981 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5N9X - THR C4 H9 N O3 C[C@H]([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5N9X - THR C4 H9 N O3 C[C@H]([C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5N9X - THR C4 H9 N O3 C[C@H]([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: THR; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 THR 1 1
2 ALO 1 1
3 VAL 0.65 0.714286
4 ALA 0.578947 0.789474
5 DAL 0.578947 0.789474
6 SKG 0.565217 0.681818
7 ILE 0.541667 0.6
8 VAH 0.541667 0.76
9 HGY 0.526316 0.625
10 AHB 0.5 0.6
11 AKB 0.434783 0.857143
12 DBB 0.434783 0.625
13 ABA 0.434783 0.625
14 LFC 0.407407 0.619048
Ligand no: 2; Ligand: ATP; Similar ligands found: 489
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 HEJ 1 1
3 AQP 0.985507 1
4 5FA 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 6YZ 0.833333 0.972222
12 AT4 0.810811 0.958904
13 AN2 0.810811 0.985915
14 25L 0.809524 0.985915
15 APR 0.802632 0.971831
16 AR6 0.802632 0.971831
17 M33 0.8 0.958333
18 ACQ 0.794872 0.972222
19 TAT 0.794872 0.958904
20 T99 0.794872 0.958904
21 AD9 0.792208 0.972222
22 ACP 0.789474 0.972222
23 A 0.788732 0.971429
24 AMP 0.788732 0.971429
25 ANP 0.772152 0.972222
26 HQG 0.756098 0.985915
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 KG4 0.74359 0.945205
32 PRX 0.734177 0.893333
33 APC 0.734177 0.958904
34 ABM 0.733333 0.917808
35 45A 0.733333 0.917808
36 ATF 0.731707 0.958904
37 7D4 0.730769 0.905405
38 ITT 0.730769 0.943662
39 AMP MG 0.72973 0.929577
40 ADQ 0.729412 0.945205
41 A3R 0.729412 0.907895
42 AP2 0.714286 0.958904
43 A12 0.714286 0.958904
44 A1R 0.709302 0.907895
45 SRA 0.706667 0.918919
46 JNT 0.701149 0.945205
47 5AL 0.698795 0.931507
48 8LE 0.698795 0.894737
49 ADP MG 0.696203 0.943662
50 ADP BEF 0.696203 0.943662
51 JSQ 0.695122 0.945946
52 HFD 0.695122 0.945946
53 9X8 0.693182 0.92
54 OAD 0.693182 0.945205
55 AU1 0.6875 0.972222
56 APC MG 0.682927 0.917808
57 8LH 0.682353 0.906667
58 SRP 0.682353 0.906667
59 G5P 0.680851 0.921053
60 25A 0.678161 0.971831
61 OZV 0.678161 0.971831
62 3OD 0.677778 0.945205
63 4AD 0.670455 0.92
64 G3A 0.670213 0.921053
65 8LQ 0.666667 0.906667
66 QA7 0.666667 0.894737
67 00A 0.662921 0.883117
68 ADP PO3 0.662651 0.943662
69 RBY 0.662651 0.932432
70 ADV 0.662651 0.932432
71 ATP MG 0.662651 0.943662
72 BIS 0.659341 0.933333
73 5SV 0.659091 0.848101
74 OOB 0.659091 0.931507
75 8QN 0.659091 0.931507
76 GTA 0.65625 0.886076
77 KMQ 0.655914 0.932432
78 BEF ADP 0.654762 0.917808
79 UP5 0.653061 0.92
80 AMO 0.651685 0.932432
81 PAJ 0.651685 0.884615
82 VO4 ADP 0.651163 0.945205
83 2A5 0.650602 0.918919
84 MAP 0.647727 0.945946
85 3AT 0.647059 0.971831
86 AHX 0.644444 0.896104
87 DLL 0.644444 0.931507
88 ATR 0.642857 0.971429
89 PAP 0.642857 0.985714
90 PTJ 0.641304 0.896104
91 V2G 0.639535 0.896104
92 7D3 0.6375 0.905405
93 3UK 0.637363 0.918919
94 SON 0.634146 0.932432
95 A4P 0.633663 0.843373
96 ANP MG 0.632184 0.931507
97 ALF ADP 0.632184 0.87013
98 LAD 0.630435 0.860759
99 PR8 0.630435 0.85
100 B5V 0.630435 0.906667
101 WAQ 0.630435 0.883117
102 AFH 0.628866 0.884615
103 LMS 0.628205 0.82716
104 DTP 0.627907 0.905405
105 GAP 0.627907 0.893333
106 TXA 0.623656 0.932432
107 ME8 0.623656 0.839506
108 NB8 0.623656 0.896104
109 1ZZ 0.623656 0.839506
110 FYA 0.623656 0.905405
111 DQV 0.622449 0.958333
112 T5A 0.621359 0.841463
113 XYA 0.619718 0.84507
114 RAB 0.619718 0.84507
115 ADN 0.619718 0.84507
116 DAL AMP 0.611111 0.905405
117 9SN 0.610526 0.871795
118 48N 0.61 0.896104
119 AP0 0.607843 0.896104
120 9ZD 0.604396 0.907895
121 9ZA 0.604396 0.907895
122 B5M 0.604167 0.894737
123 B5Y 0.604167 0.894737
124 FA5 0.604167 0.906667
125 NAX 0.60396 0.873418
126 DND 0.60396 0.932432
127 NAI 0.60396 0.907895
128 6V0 0.60396 0.896104
129 TXD 0.60396 0.907895
130 ADP BMA 0.602151 0.918919
131 A2R 0.6 0.985915
132 OMR 0.598039 0.851852
133 TXE 0.598039 0.907895
134 XAH 0.597938 0.839506
135 7DT 0.593023 0.985714
136 AOC 0.592593 0.821918
137 L3W 0.592233 0.932432
138 4UV 0.591837 0.894737
139 DDS 0.590909 0.878378
140 139 0.590476 0.873418
141 CNA 0.584906 0.932432
142 6AD 0.58427 0.909091
143 5AS 0.583333 0.77907
144 5N5 0.581081 0.819444
145 GA7 0.58 0.906667
146 4UU 0.58 0.894737
147 4TC 0.576923 0.896104
148 ADJ 0.575472 0.851852
149 5CD 0.573333 0.805556
150 A4D 0.573333 0.819444
151 RGT 0.571429 0.958904
152 A3P 0.571429 0.971429
153 7D5 0.56962 0.878378
154 LAQ 0.568627 0.839506
155 NO7 0.565217 0.932432
156 F2R 0.564815 0.864198
157 80F 0.563636 0.841463
158 CUU 0.563218 0.971831
159 YLP 0.563107 0.819277
160 UPA 0.561905 0.907895
161 AV2 0.56044 0.917808
162 COD 0.559633 0.811765
163 4UW 0.557692 0.860759
164 JB6 0.556701 0.883117
165 3AM 0.555556 0.929577
166 ATP A 0.555556 0.930556
167 ATP A A A 0.555556 0.930556
168 A2P 0.552941 0.957143
169 TYM 0.552381 0.906667
170 NA7 0.552083 0.958904
171 EP4 0.551282 0.753247
172 MYR AMP 0.55102 0.817073
173 PPS 0.549451 0.873418
174 YLB 0.54717 0.819277
175 YLC 0.54717 0.839506
176 DAT 0.545455 0.905405
177 NAD 0.545455 0.931507
178 H1Q 0.545455 0.90411
179 G5A 0.544444 0.77907
180 DTA 0.544304 0.786667
181 M2T 0.544304 0.734177
182 3DH 0.54321 0.773333
183 128 0.542857 0.776471
184 AHZ 0.538462 0.817073
185 SSA 0.537634 0.8
186 GTP 0.537634 0.92
187 MTA 0.5375 0.773333
188 IOT 0.537037 0.831325
189 A3D 0.535714 0.918919
190 AR6 AR6 0.533981 0.917808
191 ARG AMP 0.533981 0.829268
192 7MD 0.533981 0.8625
193 YLA 0.53211 0.819277
194 IMO 0.529412 0.929577
195 AMP DBH 0.529412 0.893333
196 TAD 0.528846 0.884615
197 AYB 0.527273 0.809524
198 HDV 0.526882 0.893333
199 A5A 0.526882 0.807229
200 TSB 0.526316 0.819277
201 EAD 0.525424 0.873418
202 2AM 0.52439 0.943662
203 6RE 0.52381 0.759494
204 6MZ 0.523256 0.930556
205 7DD 0.522727 0.985714
206 CZF 0.521739 0.931507
207 V3L 0.521739 0.971831
208 AVV 0.520833 0.896104
209 BTX 0.517857 0.841463
210 NAE 0.517241 0.894737
211 QBQ 0.516129 0.906667
212 52H 0.515789 0.77907
213 VMS 0.515789 0.788235
214 54H 0.515789 0.788235
215 NSS 0.515464 0.8
216 BT5 0.513274 0.831325
217 NAQ 0.512821 0.871795
218 ZAS 0.511905 0.766234
219 A3N 0.511628 0.786667
220 J7C 0.511628 0.769231
221 5X8 0.511111 0.763158
222 5CA 0.510417 0.8
223 53H 0.510417 0.77907
224 8X1 0.510417 0.752809
225 NVA LMS 0.510204 0.752809
226 ARU 0.510204 0.860759
227 ALF ADP 3PG 0.509259 0.8375
228 AF3 ADP 3PG 0.509259 0.8375
229 38V 0.508475 0.886076
230 ZID 0.508475 0.918919
231 P1H 0.508197 0.851852
232 OVE 0.505882 0.905405
233 S4M 0.505747 0.666667
234 LEU LMS 0.50505 0.730337
235 LPA AMP 0.504673 0.817073
236 NAD TDB 0.504587 0.917808
237 7MC 0.504587 0.841463
238 NAD IBO 0.504587 0.917808
239 D4F 0.504274 0.839506
240 P5A 0.5 0.744444
241 DZD 0.5 0.884615
242 DSZ 0.5 0.8
243 MAO 0.5 0.759036
244 DSH 0.5 0.725
245 LSS 0.5 0.761364
246 FB0 0.5 0.804598
247 NDE 0.495935 0.932432
248 N0B 0.495798 0.819277
249 M24 0.495726 0.85
250 YLY 0.495726 0.809524
251 NJP 0.495575 0.945946
252 9K8 0.49505 0.714286
253 MGP 0.494737 0.884615
254 6C6 0.494624 0.881579
255 O02 0.494624 0.921053
256 NWW 0.493671 0.760563
257 NAJ PZO 0.491379 0.848101
258 0WD 0.491228 0.921053
259 6G0 0.489583 0.884615
260 GJV 0.488636 0.75
261 6FA 0.488189 0.841463
262 5AD 0.486842 0.746479
263 KAA 0.485149 0.752809
264 GSU 0.485149 0.77907
265 71V 0.483146 0.907895
266 NEC 0.482759 0.746667
267 A3G 0.482759 0.8
268 ODP 0.482456 0.909091
269 K3K 0.480769 0.802632
270 FAS 0.48062 0.851852
271 FAD 0.48062 0.851852
272 7D7 0.480519 0.743243
273 FDA 0.480315 0.833333
274 N6P 0.48 0.915493
275 2SA 0.479167 0.932432
276 GP3 0.478723 0.921053
277 AMP NAD 0.478261 0.905405
278 SFG 0.478261 0.75
279 4TA 0.478261 0.807229
280 NDP 0.477876 0.921053
281 NPW 0.477876 0.886076
282 LQJ 0.47619 0.917808
283 NDC 0.47619 0.871795
284 YSA 0.47619 0.77907
285 NAJ PYZ 0.475 0.807229
286 MGO 0.474227 0.860759
287 NZQ 0.473684 0.909091
288 TXP 0.473684 0.921053
289 6IA 0.473684 0.8375
290 GDP 0.473684 0.92
291 A7D 0.472527 0.776316
292 J4G 0.470588 0.92
293 SFD 0.469231 0.734043
294 SA8 0.468085 0.707317
295 A5D 0.468085 0.786667
296 ZDA 0.468085 0.864865
297 12D 0.46789 0.785714
298 PGS 0.467391 0.883117
299 MHZ 0.467391 0.697674
300 8PZ 0.466667 0.8
301 62F 0.466165 0.8625
302 D5M 0.465909 0.878378
303 DA 0.465909 0.878378
304 GGZ 0.464646 0.825
305 SAH 0.463158 0.74359
306 SAI 0.463158 0.734177
307 FAY 0.462687 0.8625
308 Y3J 0.4625 0.726027
309 B1U 0.462264 0.736264
310 PO4 PO4 A A A A PO4 0.460784 0.902778
311 AAM 0.460674 0.971429
312 RFL 0.459259 0.821429
313 SMM 0.459184 0.686047
314 HF7 0.459184 0.893333
315 C2R 0.458824 0.90411
316 AMZ 0.458824 0.916667
317 SAM 0.458333 0.690476
318 K3E 0.457944 0.792208
319 A3S 0.456522 0.810811
320 FNK 0.455224 0.804598
321 7C5 0.453704 0.818182
322 AAT 0.453608 0.707317
323 EEM 0.453608 0.690476
324 NWQ 0.453488 0.739726
325 XNP 0.452991 0.873418
326 PRT 0.45283 0.931507
327 K2R 0.451923 0.88
328 AIR 0.451219 0.901408
329 62X 0.45098 0.666667
330 KOY 0.45045 0.802632
331 GSP 0.45 0.873418
332 ETB 0.45 0.833333
333 DCA 0.45 0.823529
334 N5O 0.449438 0.763158
335 NIA 0.448276 0.822785
336 A3T 0.446809 0.821918
337 K15 0.446602 0.682353
338 PUA 0.446281 0.884615
339 QXP 0.445545 0.785714
340 6K6 0.445545 0.930556
341 GEK 0.445545 0.7375
342 4YB 0.445455 0.761364
343 V47 0.444444 0.783784
344 S7M 0.444444 0.690476
345 DG1 0.443548 0.921053
346 1DG 0.443548 0.921053
347 Z5A 0.443548 0.77907
348 COA 0.442623 0.823529
349 0T1 0.442623 0.823529
350 WSA 0.442478 0.788235
351 8BR 0.43956 0.906667
352 N5A 0.43956 0.736842
353 DZ4 0.438776 0.881579
354 8Q2 0.438596 0.772727
355 101 0.438202 0.878378
356 IDP 0.4375 0.918919
357 NVA 2AD 0.4375 0.759494
358 9JJ 0.435714 0.8625
359 KY2 0.435644 0.731707
360 NAP 0.435484 0.945205
361 K2W 0.435185 0.740741
362 APU 0.434783 0.894737
363 7RP 0.433333 0.928571
364 QXG 0.432692 0.776471
365 A6D 0.432692 0.722892
366 TAP 0.432 0.907895
367 AMX 0.432 0.833333
368 COS 0.432 0.804598
369 CAO 0.432 0.795455
370 J7V 0.432 0.833333
371 30N 0.432 0.752688
372 V1N 0.431193 0.917808
373 KL2 0.430233 0.837838
374 K38 0.429907 0.779221
375 649 0.429825 0.744444
376 P5F 0.429577 0.823529
377 NA0 0.428571 0.932432
378 7RA 0.428571 0.957747
379 SCO 0.428571 0.823529
380 R2V 0.428571 0.785714
381 CMX 0.428571 0.823529
382 0UM 0.427184 0.698795
383 KYB 0.427184 0.731707
384 GAV 0.427184 0.884615
385 1RB 0.426966 0.885714
386 QQY 0.426966 0.815789
387 ACK 0.426966 0.861111
388 GCP 0.425743 0.896104
389 G1R 0.425743 0.907895
390 ACO 0.425197 0.795455
391 FCX 0.425197 0.795455
392 FAM 0.425197 0.804598
393 OZP 0.424779 0.728395
394 O05 0.424528 0.843373
395 GNH 0.424242 0.907895
396 F2N 0.423611 0.813953
397 K2H 0.423077 0.75641
398 GKE 0.422018 0.884615
399 GDC 0.422018 0.884615
400 K3H 0.422018 0.75
401 GDD 0.422018 0.884615
402 KYE 0.422018 0.714286
403 HAX 0.421875 0.804598
404 3AD 0.421687 0.805556
405 9GM 0.421569 0.896104
406 GNP 0.421569 0.896104
407 FA9 0.42069 0.864198
408 TM1 0.420561 0.77381
409 KY5 0.420561 0.725
410 KB1 0.420561 0.698795
411 9BG 0.420168 0.896104
412 H6Y 0.42 0.945205
413 2MC 0.419847 0.769231
414 KXW 0.419643 0.707317
415 FYN 0.418605 0.823529
416 3KK 0.418605 0.804598
417 S8M 0.417476 0.759494
418 7L1 0.417323 0.795455
419 26A 0.416667 0.763158
420 2VA 0.416667 0.8
421 NHD 0.416667 0.905405
422 HZ2 0.415929 0.731707
423 QQX 0.41573 0.805195
424 CA6 0.415385 0.729167
425 OXK 0.415385 0.804598
426 MCD 0.415385 0.804598
427 SOP 0.415385 0.804598
428 COK 0.415385 0.804598
429 YZS 0.415385 0.729167
430 KGP 0.415385 0.729167
431 KY8 0.415094 0.728395
432 K2K 0.415094 0.7375
433 FAJ 0.414966 0.831325
434 NX8 0.414141 0.716049
435 Q34 0.413793 0.674419
436 YE1 0.413534 0.813953
437 RMB 0.413043 0.873239
438 FAI 0.413043 0.916667
439 AS 0.413043 0.833333
440 CO6 0.412214 0.804598
441 1VU 0.412214 0.795455
442 NMX 0.412214 0.76087
443 CMC 0.412214 0.804598
444 SXZ 0.411215 0.710843
445 ANZ 0.410714 0.8
446 SCA 0.410448 0.804598
447 SCD 0.409091 0.823529
448 CAJ 0.409091 0.804598
449 NAD BBN 0.408759 0.841463
450 HY8 0.408696 0.731707
451 EO7 0.408602 0.788235
452 D3Y 0.407767 0.789474
453 CC5 0.407407 0.816901
454 KGA 0.407407 0.744681
455 KH3 0.40708 0.674419
456 PLP AAD 0.406504 0.733333
457 SLU 0.406504 0.770115
458 G 0.40625 0.906667
459 5GP 0.40625 0.906667
460 MLC 0.406015 0.804598
461 KGJ 0.406015 0.752688
462 1HE 0.406015 0.786517
463 3HC 0.406015 0.813953
464 A1S 0.406015 0.804598
465 IVC 0.406015 0.813953
466 BCO 0.406015 0.804598
467 GTG 0.405405 0.886076
468 NMN AMP PO4 0.404959 0.87013
469 Q2P 0.404959 0.674419
470 3D1 0.404762 0.773333
471 3L1 0.404762 0.773333
472 2BA 0.404255 0.915493
473 CMP 0.404255 0.901408
474 VRT 0.40404 0.769231
475 SO8 0.40404 0.789474
476 MCA 0.402985 0.795455
477 COO 0.402985 0.804598
478 CAA 0.402985 0.813953
479 SO5 0.402985 0.721649
480 LCV 0.402985 0.721649
481 NAD CJ3 0.402878 0.811765
482 3NZ 0.401869 0.782051
483 G2R 0.401869 0.884615
484 YXS 0.4 0.729167
485 2CP 0.4 0.795455
486 2FA 0.4 0.813333
487 YXR 0.4 0.729167
488 ZZB 0.4 0.77381
489 MC4 0.4 0.76087
Ligand no: 3; Ligand: 8QN; Similar ligands found: 378
No: Ligand ECFP6 Tc MDL keys Tc
1 8QN 1 1
2 5AL 0.841463 1
3 8LH 0.8 0.972603
4 SRP 0.77907 0.945946
5 PAJ 0.764045 0.922078
6 8LQ 0.761364 0.972603
7 CA0 0.746988 0.958904
8 AMO 0.744444 0.945946
9 KG4 0.738095 0.958904
10 PTJ 0.731183 0.934211
11 ME8 0.731183 0.898734
12 4AD 0.725275 0.933333
13 QA7 0.722222 0.959459
14 LAD 0.72043 0.897436
15 8LE 0.715909 0.959459
16 NB8 0.712766 0.909091
17 TXA 0.712766 0.972603
18 BA3 0.710843 0.931507
19 A2D 0.707317 0.931507
20 B4P 0.702381 0.931507
21 AP5 0.702381 0.931507
22 AN2 0.694118 0.918919
23 FA5 0.690722 0.945946
24 M33 0.686047 0.945205
25 ADP 0.682353 0.931507
26 AT4 0.674419 0.894737
27 AMP 0.670732 0.930556
28 A 0.670732 0.930556
29 5FA 0.670455 0.931507
30 PRX 0.670455 0.906667
31 AQP 0.670455 0.931507
32 ADX 0.666667 0.839506
33 45A 0.666667 0.931507
34 ABM 0.666667 0.931507
35 DLL 0.663158 0.972222
36 YLP 0.660194 0.876543
37 OOB 0.659574 0.972222
38 ATP 0.659091 0.931507
39 ACP 0.659091 0.906667
40 50T 0.659091 0.893333
41 HEJ 0.659091 0.931507
42 AR6 0.651685 0.958333
43 APR 0.651685 0.958333
44 DAL AMP 0.648936 0.972222
45 AHX 0.645833 0.884615
46 00A 0.645833 0.921053
47 AGS 0.644444 0.883117
48 AD9 0.644444 0.906667
49 AMP MG 0.642857 0.916667
50 1ZZ 0.642857 0.898734
51 9ZD 0.642105 0.946667
52 9ZA 0.642105 0.946667
53 YLC 0.641509 0.898734
54 YLB 0.641509 0.876543
55 3UK 0.639175 0.958904
56 PR8 0.632653 0.886076
57 B5V 0.632653 0.945946
58 WAQ 0.632653 0.921053
59 AP2 0.632184 0.894737
60 A12 0.632184 0.894737
61 TYM 0.632075 0.945946
62 TSB 0.631579 0.831325
63 ANP 0.630435 0.906667
64 ACQ 0.630435 0.906667
65 B5Y 0.623762 0.959459
66 B5M 0.623762 0.959459
67 SRA 0.623529 0.881579
68 OAD 0.622449 0.986111
69 A1R 0.618557 0.871795
70 AYB 0.618182 0.865854
71 ATF 0.617021 0.894737
72 9SN 0.613861 0.909091
73 48N 0.613208 0.934211
74 GAP 0.612903 0.932432
75 JNT 0.612245 0.906667
76 4UV 0.61165 0.933333
77 AU1 0.611111 0.906667
78 6YZ 0.610526 0.906667
79 3OD 0.61 0.986111
80 YLA 0.609091 0.853659
81 5SV 0.608247 0.860759
82 V2G 0.606383 0.909091
83 9X8 0.606061 0.933333
84 HQG 0.604167 0.945205
85 A3R 0.602041 0.871795
86 XAH 0.601942 0.851852
87 SON 0.6 0.945946
88 ADP MG 0.6 0.930556
89 ADP BEF 0.6 0.930556
90 4UU 0.6 0.933333
91 A22 0.597938 0.918919
92 APC 0.597826 0.894737
93 T99 0.595745 0.894737
94 TAT 0.595745 0.894737
95 FYA 0.594059 0.893333
96 25A 0.591837 0.931507
97 OZV 0.591837 0.931507
98 ADV 0.591398 0.92
99 RBY 0.591398 0.92
100 LAQ 0.588785 0.875
101 ADQ 0.585859 0.932432
102 GA7 0.584906 0.894737
103 YLY 0.581197 0.865854
104 4UW 0.577982 0.922078
105 LMS 0.574713 0.817073
106 ADP PO3 0.574468 0.930556
107 ATP MG 0.574468 0.930556
108 APC MG 0.574468 0.905405
109 VMS 0.571429 0.821429
110 54H 0.571429 0.821429
111 BEF ADP 0.568421 0.905405
112 AP0 0.567568 0.884615
113 A5A 0.56701 0.841463
114 DQV 0.564815 0.945205
115 BIS 0.563107 0.871795
116 KMQ 0.561905 0.945946
117 G3A 0.560748 0.884615
118 MYR AMP 0.557692 0.875
119 25L 0.557692 0.918919
120 IOT 0.557522 0.843373
121 AFH 0.555556 0.873418
122 G5P 0.555556 0.884615
123 N0B 0.553719 0.853659
124 ANP MG 0.55102 0.918919
125 VO4 ADP 0.55102 0.906667
126 ALF ADP 0.55102 0.858974
127 GTA 0.550459 0.875
128 MAP 0.55 0.883117
129 TXD 0.54955 0.896104
130 NAI 0.54955 0.896104
131 OMR 0.544643 0.8875
132 TXE 0.544643 0.896104
133 F2R 0.543103 0.853659
134 ARG AMP 0.541284 0.841463
135 52H 0.54 0.811765
136 L3W 0.539823 0.92
137 LSS 0.539216 0.793103
138 COD 0.538462 0.823529
139 5AS 0.537634 0.790698
140 A3T 0.536842 0.835616
141 TAD 0.536364 0.873418
142 NAX 0.535714 0.8625
143 DND 0.535714 0.945946
144 6V0 0.535714 0.884615
145 5CA 0.534653 0.790698
146 53H 0.534653 0.811765
147 BT5 0.533898 0.843373
148 JB6 0.533333 0.871795
149 2A5 0.53125 0.857143
150 ALF ADP 3PG 0.530973 0.873418
151 SSA 0.53 0.790698
152 80F 0.529412 0.853659
153 LEU LMS 0.528846 0.781609
154 AOC 0.527473 0.810811
155 7MD 0.527273 0.875
156 T5A 0.525862 0.853659
157 XYA 0.52439 0.808219
158 RAB 0.52439 0.808219
159 ADN 0.52439 0.808219
160 5CD 0.52381 0.794521
161 AMP DBH 0.522936 0.881579
162 UP5 0.522124 0.907895
163 CNA 0.521368 0.92
164 5X8 0.520833 0.8
165 G5A 0.520408 0.790698
166 AF3 ADP 3PG 0.517544 0.873418
167 DTA 0.517241 0.776316
168 3DH 0.516854 0.786667
169 A3D 0.516667 0.958904
170 M24 0.516393 0.886076
171 ADP BMA 0.514286 0.906667
172 LPA AMP 0.513274 0.851852
173 ADJ 0.512821 0.841463
174 D4F 0.512195 0.875
175 5N5 0.511905 0.783784
176 MTA 0.511364 0.786667
177 DSZ 0.509615 0.811765
178 A4P 0.508621 0.811765
179 NAQ 0.508065 0.909091
180 A4D 0.505882 0.783784
181 EP4 0.505747 0.766234
182 7D5 0.505618 0.842105
183 NVA LMS 0.504762 0.784091
184 9K8 0.504673 0.764045
185 AHZ 0.504425 0.875
186 M2T 0.5 0.746835
187 4TC 0.5 0.884615
188 UPA 0.5 0.896104
189 NAD 0.5 0.945205
190 7MC 0.5 0.876543
191 7D3 0.5 0.844156
192 SMM 0.5 0.738095
193 GSU 0.495327 0.811765
194 KAA 0.495327 0.764045
195 NSS 0.495238 0.790698
196 EEM 0.49505 0.743902
197 ATR 0.494949 0.90411
198 SA8 0.494949 0.7625
199 PAP 0.494949 0.917808
200 7D4 0.494845 0.844156
201 A3P 0.494737 0.930556
202 ATP A 0.490909 0.917808
203 ATP A A A 0.490909 0.917808
204 8X1 0.490385 0.764045
205 SAH 0.49 0.779221
206 H1Q 0.489796 0.891892
207 SFG 0.489796 0.786667
208 NAE 0.488 0.933333
209 BTX 0.487603 0.831325
210 139 0.487395 0.8625
211 YSA 0.486486 0.790698
212 SAM 0.485149 0.743902
213 FB0 0.484848 0.795455
214 EAD 0.484375 0.886076
215 6RE 0.483871 0.728395
216 P5A 0.481481 0.755556
217 A2R 0.480769 0.945205
218 PPS 0.480392 0.817073
219 6AD 0.480392 0.873418
220 ITT 0.479592 0.878378
221 A2P 0.479167 0.916667
222 3AM 0.478261 0.890411
223 8PZ 0.477477 0.790698
224 ARU 0.476636 0.82716
225 NAJ PZO 0.475806 0.860759
226 SAI 0.475248 0.769231
227 NAD TDB 0.474576 0.931507
228 NAD IBO 0.474576 0.931507
229 J7C 0.473684 0.7375
230 AR6 AR6 0.473684 0.931507
231 ZAS 0.473118 0.75641
232 DZD 0.471545 0.873418
233 NWW 0.471264 0.75
234 S7M 0.471154 0.743902
235 P1H 0.469697 0.864198
236 NDE 0.469697 0.92
237 A7D 0.469388 0.766234
238 S4M 0.46875 0.678161
239 ZID 0.46875 0.932432
240 6MZ 0.46875 0.917808
241 J4G 0.46789 0.933333
242 MAO 0.463918 0.771084
243 AMP NAD 0.463415 0.945205
244 DSH 0.463158 0.716049
245 NAJ PYZ 0.460938 0.819277
246 HFD 0.460784 0.883117
247 JSQ 0.460784 0.883117
248 CUU 0.46 0.905405
249 2VA 0.46 0.813333
250 A3N 0.458333 0.753247
251 IMO 0.458333 0.890411
252 GEK 0.457944 0.772152
253 FAS 0.456522 0.864198
254 FAD 0.456522 0.864198
255 3AT 0.456311 0.905405
256 V3L 0.456311 0.958333
257 6IA 0.456311 0.82716
258 A3S 0.454545 0.8
259 FNK 0.453901 0.795455
260 WSA 0.453782 0.8
261 0UM 0.453704 0.753086
262 GJV 0.453608 0.719512
263 2AM 0.451613 0.878378
264 A5D 0.45098 0.776316
265 SXZ 0.45045 0.765432
266 62X 0.449541 0.717647
267 A3G 0.447917 0.789474
268 NEC 0.447917 0.76
269 2SA 0.447619 0.92
270 B1U 0.447368 0.747253
271 5AD 0.447059 0.760563
272 O02 0.446602 0.860759
273 SO8 0.446602 0.802632
274 SFD 0.446043 0.744681
275 K15 0.445455 0.73494
276 NA7 0.445455 0.894737
277 FDA 0.445255 0.823529
278 V47 0.443396 0.821918
279 6FA 0.442029 0.853659
280 NDC 0.441176 0.884615
281 0WD 0.44 0.884615
282 4TA 0.44 0.841463
283 7C5 0.439655 0.831169
284 NO7 0.439252 0.87013
285 AAT 0.438095 0.698795
286 8Q2 0.438017 0.764045
287 OVE 0.4375 0.844156
288 KOY 0.436975 0.84
289 NVA 2AD 0.436893 0.772152
290 NWQ 0.43617 0.753425
291 MHZ 0.435644 0.709302
292 PGS 0.435644 0.825
293 38V 0.435115 0.851852
294 AV2 0.433962 0.855263
295 6C6 0.432692 0.846154
296 VRT 0.432692 0.782051
297 4YB 0.432203 0.793103
298 NJP 0.432 0.907895
299 DAT 0.431373 0.844156
300 QXP 0.431193 0.755814
301 AVV 0.431193 0.860759
302 FAY 0.430556 0.875
303 P5F 0.42953 0.835294
304 DTP 0.428571 0.844156
305 RFL 0.427586 0.833333
306 NDP 0.427419 0.884615
307 Y3J 0.426966 0.716216
308 ETB 0.426357 0.823529
309 DCA 0.426357 0.813953
310 K3K 0.426087 0.769231
311 AMZ 0.425532 0.878378
312 C2R 0.425532 0.891892
313 7D7 0.425287 0.733333
314 TXP 0.424 0.884615
315 NZQ 0.424 0.873418
316 62F 0.423611 0.851852
317 LQJ 0.422414 0.905405
318 GGZ 0.422018 0.792683
319 FA9 0.421053 0.853659
320 KB1 0.421053 0.731707
321 ODP 0.420635 0.873418
322 71V 0.42 0.848101
323 0T1 0.419847 0.813953
324 COA 0.419847 0.813953
325 QXG 0.419643 0.747126
326 A6D 0.419643 0.714286
327 K3E 0.418803 0.759494
328 N5O 0.418367 0.753247
329 S8M 0.418182 0.75
330 649 0.418033 0.755556
331 NPW 0.416 0.851852
332 R2V 0.415929 0.755814
333 3NZ 0.415929 0.794872
334 F2N 0.414474 0.804598
335 OZP 0.413223 0.7625
336 K2R 0.412281 0.893333
337 N6P 0.410714 0.876712
338 K2H 0.410714 0.746835
339 COS 0.410448 0.795455
340 Z5A 0.410448 0.811765
341 CAO 0.410448 0.786517
342 30N 0.410448 0.744681
343 AMX 0.410448 0.823529
344 KYE 0.410256 0.72619
345 N5A 0.41 0.727273
346 D3Y 0.409091 0.779221
347 KXW 0.408333 0.740741
348 KH3 0.408333 0.72619
349 NA0 0.407407 0.945946
350 SCO 0.407407 0.835294
351 CMX 0.407407 0.835294
352 PO4 PO4 A A A A PO4 0.40708 0.890411
353 9JJ 0.406667 0.851852
354 KGP 0.405797 0.721649
355 CA6 0.405797 0.721649
356 YZS 0.405797 0.721649
357 MCD 0.405797 0.816092
358 6K6 0.405405 0.891892
359 FAM 0.404412 0.795455
360 FCX 0.404412 0.806818
361 ACO 0.404412 0.786517
362 LCV 0.404255 0.731959
363 SO5 0.404255 0.731959
364 DA 0.40404 0.842105
365 D5M 0.40404 0.842105
366 K2K 0.403509 0.707317
367 Q34 0.403226 0.705882
368 CO6 0.402878 0.795455
369 DAL FAD PER 0.402597 0.777778
370 26A 0.402174 0.753247
371 NIA 0.402062 0.790123
372 DDS 0.401869 0.818182
373 HAX 0.40146 0.795455
374 FAD NBT 0.4 0.741935
375 FAI 0.4 0.878378
376 ANZ 0.4 0.768293
377 2MC 0.4 0.76087
378 AAM 0.4 0.930556
Similar Ligands (3D)
Ligand no: 1; Ligand: THR; Similar ligands found: 781
No: Ligand Similarity coefficient
1 LMR 1.0000
2 KIV 0.9980
3 DXX 0.9959
4 2RA 0.9950
5 KG7 0.9949
6 2KT 0.9913
7 03W 0.9895
8 PYR 0.9859
9 SER 0.9831
10 C2N 0.9808
11 DSN 0.9804
12 MAK 0.9790
13 DGY 0.9782
14 OXM 0.9753
15 A3B 0.9750
16 OXL 0.9747
17 CYS 0.9744
18 HIU 0.9732
19 MLA 0.9728
20 3PY 0.9714
21 DCY 0.9712
22 MLI 0.9694
23 DE2 0.9691
24 HBR 0.9690
25 THE 0.9680
26 192 0.9679
27 1AC 0.9656
28 ALQ 0.9655
29 2OP 0.9654
30 OXD 0.9650
31 MB3 0.9643
32 SMB 0.9641
33 23B 0.9616
34 QFH 0.9612
35 DAB 0.9601
36 NVA 0.9600
37 WTZ 0.9591
38 LAC 0.9586
39 AAE 0.9586
40 HSE 0.9585
41 HV2 0.9582
42 IPH 0.9582
43 MAE 0.9580
44 39J 0.9576
45 9TY 0.9574
46 IVA 0.9569
47 HDA 0.9565
48 9X7 0.9560
49 AC5 0.9557
50 HUI 0.9556
51 SSN 0.9555
52 MLM 0.9541
53 SIN 0.9539
54 TFB 0.9529
55 BAL 0.9521
56 HCS 0.9520
57 DCD 0.9509
58 ITN 0.9508
59 MLT 0.9505
60 TEO 0.9505
61 FLA 0.9503
62 3HR 0.9499
63 CEJ 0.9498
64 9YL 0.9497
65 273 0.9490
66 DMG 0.9489
67 MRY 0.9487
68 BUA 0.9487
69 MMZ 0.9484
70 2PC 0.9484
71 PRO 0.9484
72 OAA 0.9482
73 GXV 0.9481
74 GOL 0.9477
75 ITU 0.9475
76 3HL 0.9473
77 TP5 0.9467
78 AOA 0.9467
79 MEU 0.9466
80 FUM 0.9463
81 NVI 0.9462
82 BU4 0.9461
83 NMG 0.9455
84 CMS 0.9453
85 IPU 0.9450
86 GG6 0.9446
87 SMV 0.9438
88 BAQ 0.9437
89 HZP 0.9436
90 A2Q 0.9435
91 HX2 0.9434
92 HY3 0.9432
93 P2D 0.9428
94 DAS 0.9421
95 C5J 0.9420
96 URA 0.9420
97 LEU 0.9419
98 ASN 0.9409
99 ATQ 0.9405
100 JBN 0.9403
101 CHT 0.9401
102 23W 0.9396
103 HBS 0.9386
104 CSS 0.9382
105 IOM 0.9380
106 CRN 0.9380
107 UGC 0.9379
108 GBL 0.9377
109 69O 0.9376
110 ASP 0.9373
111 CYH 0.9373
112 PRS 0.9366
113 T2C 0.9363
114 XLS 0.9362
115 IMR 0.9359
116 BUO 0.9358
117 PAE 0.9350
118 26D 0.9348
119 DTL 0.9348
120 5AC 0.9348
121 NIS 0.9342
122 TAY 0.9342
123 R1X 0.9341
124 R2B 0.9341
125 BUB 0.9335
126 280 0.9333
127 3GR 0.9333
128 JZ3 0.9333
129 PYM 0.9330
130 YCP 0.9329
131 ECE 0.9326
132 HAI 0.9325
133 NXA 0.9324
134 2IM 0.9322
135 ICN 0.9319
136 J1Z 0.9319
137 FOA 0.9318
138 CP 0.9317
139 C21 0.9317
140 ODV 0.9316
141 PLQ 0.9316
142 5FX 0.9316
143 IQ0 0.9310
144 FPY 0.9302
145 YHO 0.9301
146 JYD 0.9297
147 F3V 0.9292
148 BEN 0.9291
149 SAR 0.9287
150 CXL 0.9284
151 TF4 0.9284
152 XUL 0.9281
153 MZ0 0.9281
154 CRS 0.9279
155 HPY 0.9279
156 FW5 0.9279
157 TMZ 0.9278
158 DPR 0.9277
159 HQE 0.9276
160 BAE 0.9274
161 ARB 0.9274
162 HVQ 0.9272
163 FPN 0.9271
164 BVG 0.9269
165 LEA 0.9266
166 4CH 0.9264
167 7EX 0.9264
168 VX 0.9264
169 2MH 0.9263
170 60P 0.9262
171 LER 0.9261
172 POA 0.9260
173 40O 0.9260
174 PPF 0.9260
175 GOA 0.9259
176 ORN 0.9258
177 DA1 0.9258
178 FPI 0.9256
179 GBD 0.9255
180 ABN 0.9253
181 IT2 0.9249
182 PRI 0.9247
183 LDU 0.9246
184 SYN 0.9245
185 265 0.9244
186 ETF 0.9242
187 278 0.9241
188 4JU 0.9241
189 PYC 0.9241
190 RSF 0.9240
191 LG4 0.9238
192 HLT 0.9235
193 PCA 0.9234
194 FAH 0.9234
195 PPI 0.9231
196 3OH 0.9231
197 V1L 0.9231
198 H95 0.9231
199 TAR 0.9230
200 TZC 0.9230
201 BEW 0.9230
202 GAG 0.9229
203 25R 0.9228
204 DUC 0.9228
205 CIZ 0.9228
206 RBL 0.9225
207 8X3 0.9224
208 PXY 0.9224
209 NK 0.9222
210 R8A 0.9222
211 GLY 0.9220
212 FJO 0.9217
213 BVC 0.9217
214 PCR 0.9214
215 25T 0.9210
216 TMT 0.9210
217 COI 0.9209
218 EDG 0.9209
219 SNE 0.9209
220 HBX 0.9208
221 2HA 0.9208
222 SAT 0.9207
223 2CO 0.9206
224 NCA 0.9206
225 TAU 0.9205
226 SAL 0.9203
227 SGL 0.9203
228 4XX 0.9199
229 L60 0.9196
230 4DX 0.9196
231 BE2 0.9193
232 2HE 0.9191
233 4MV 0.9191
234 34V 0.9190
235 MRZ 0.9189
236 3ZQ 0.9189
237 IDH 0.9188
238 NTN 0.9186
239 PCT 0.9186
240 RIP 0.9185
241 9CL 0.9183
242 Z6J 0.9183
243 HYP 0.9182
244 98J 0.9180
245 P7I 0.9179
246 HGQ 0.9178
247 HAE 0.9178
248 APY 0.9177
249 BEZ 0.9177
250 I2M 0.9176
251 1CB 0.9175
252 JZ5 0.9175
253 QDK 0.9174
254 282 0.9174
255 BAM 0.9174
256 OXQ 0.9173
257 MZW 0.9171
258 93B 0.9168
259 EHM 0.9168
260 WBU 0.9167
261 RUU 0.9164
262 TMH 0.9164
263 FCN 0.9162
264 BZI 0.9160
265 BNS 0.9160
266 XPO 0.9159
267 URF 0.9157
268 RP7 0.9155
269 BML 0.9154
270 BMD 0.9153
271 XYP 0.9146
272 HSL 0.9146
273 4AX 0.9146
274 286 0.9145
275 XYS 0.9145
276 ICC 0.9145
277 1SP 0.9145
278 FUL 0.9144
279 2AP 0.9143
280 5Y9 0.9143
281 BTL 0.9141
282 ABU 0.9138
283 6SP 0.9137
284 AMC 0.9137
285 1MR 0.9136
286 HVK 0.9135
287 IDM 0.9134
288 NIE 0.9133
289 VNJ 0.9133
290 284 0.9133
291 51F 0.9133
292 TB6 0.9133
293 1DH 0.9132
294 NIO 0.9130
295 285 0.9129
296 PGA 0.9129
297 XBT 0.9126
298 PZA 0.9125
299 KSW 0.9125
300 D2P 0.9123
301 1DU 0.9122
302 MBN 0.9121
303 UYA 0.9121
304 9PO 0.9120
305 ICF 0.9120
306 SRT 0.9119
307 NBE 0.9116
308 PY7 0.9115
309 7VD 0.9115
310 4AP 0.9115
311 PYJ 0.9115
312 LXC 0.9114
313 PYF 0.9114
314 3AP 0.9113
315 NBZ 0.9113
316 F50 0.9113
317 DCL 0.9110
318 4HS 0.9109
319 LGA 0.9109
320 KPL 0.9108
321 DEN 0.9108
322 1AB 0.9107
323 WOT 0.9107
324 HYN 0.9106
325 IND 0.9105
326 COM 0.9103
327 DTU 0.9102
328 4JN 0.9102
329 DFU 0.9101
330 3U4 0.9101
331 HIO 0.9100
332 CNH 0.9099
333 GLV 0.9099
334 XYL 0.9098
335 RB5 0.9098
336 TZZ 0.9097
337 S0H 0.9097
338 GXE 0.9096
339 6PC 0.9093
340 3SK 0.9091
341 CAQ 0.9091
342 NAK 0.9089
343 QSC 0.9089
344 ROR 0.9089
345 MPD 0.9088
346 SS2 0.9088
347 HRZ 0.9087
348 FUC 0.9082
349 2EZ 0.9080
350 JAB 0.9080
351 JZ1 0.9078
352 PUT 0.9078
353 B24 0.9076
354 8FH 0.9076
355 PAF 0.9075
356 2AS 0.9075
357 VGL 0.9073
358 BXO 0.9073
359 2YU 0.9070
360 1DQ 0.9070
361 SEJ 0.9069
362 XAP 0.9067
363 RIB 0.9066
364 PBC 0.9064
365 UNU 0.9063
366 4CS 0.9062
367 2RH 0.9061
368 BZF 0.9060
369 JZ9 0.9060
370 0TR 0.9056
371 ARA 0.9056
372 KYD 0.9056
373 PBE 0.9055
374 AZF 0.9054
375 E60 0.9054
376 4JP 0.9053
377 HSW 0.9052
378 FCA 0.9051
379 0R1 0.9051
380 LZ1 0.9051
381 IHG 0.9050
382 4HO 0.9048
383 GVH 0.9048
384 FUF 0.9048
385 0R0 0.9047
386 XIX 0.9046
387 3BB 0.9046
388 IOL 0.9046
389 MTG 0.9045
390 O7U 0.9044
391 FUB 0.9043
392 YTB 0.9042
393 HT4 0.9042
394 MPI 0.9042
395 CYT 0.9041
396 TZL 0.9038
397 ZBT 0.9038
398 H3M 0.9038
399 1MC 0.9037
400 8EZ 0.9035
401 MWM 0.9034
402 0MK 0.9033
403 JKE 0.9032
404 PG3 0.9032
405 IP0 0.9031
406 TAN 0.9031
407 1AN 0.9030
408 NEQ 0.9029
409 FMS 0.9028
410 AKR 0.9027
411 ETM 0.9027
412 KMT 0.9027
413 8CL 0.9026
414 MMU 0.9026
415 PYG 0.9026
416 RCO 0.9025
417 1PT 0.9024
418 40E 0.9024
419 LG3 0.9023
420 24T 0.9023
421 0CT 0.9020
422 93Q 0.9020
423 MCT 0.9020
424 MET 0.9020
425 NCM 0.9019
426 TB0 0.9019
427 32O 0.9018
428 HPA 0.9013
429 DMV 0.9013
430 TDR 0.9012
431 AC0 0.9012
432 GIF 0.9011
433 8GF 0.9008
434 M58 0.9006
435 92Z 0.9006
436 4ZE 0.9005
437 OK7 0.9004
438 TLA 0.9004
439 TZE 0.9003
440 2MP 0.9002
441 PEP 0.9001
442 FSG 0.9000
443 AHR 0.8999
444 3SL 0.8999
445 PAV 0.8996
446 DTT 0.8992
447 2A3 0.8991
448 3CH 0.8991
449 9SB 0.8991
450 2DR 0.8990
451 3SY 0.8990
452 TM7 0.8990
453 HSM 0.8989
454 FPK 0.8988
455 34A 0.8987
456 ISU 0.8986
457 DYA 0.8984
458 3MC 0.8983
459 HBA 0.8978
460 7CZ 0.8977
461 4SV 0.8974
462 VSO 0.8973
463 BVF 0.8971
464 TH0 0.8971
465 DTI 0.8971
466 FP2 0.8970
467 XBZ 0.8968
468 LG5 0.8965
469 TTO 0.8965
470 9X6 0.8964
471 FBA 0.8963
472 5MH 0.8961
473 ICP 0.8960
474 PYD 0.8960
475 938 0.8960
476 H76 0.8958
477 4VP 0.8954
478 BUQ 0.8954
479 4SD 0.8954
480 OHG 0.8952
481 BP9 0.8951
482 6X8 0.8951
483 8LG 0.8950
484 1XX 0.8950
485 IFM 0.8950
486 7HP 0.8948
487 FAC 0.8947
488 A1U 0.8946
489 5JC 0.8943
490 2AC 0.8943
491 SS1 0.8943
492 43M 0.8942
493 HHN 0.8942
494 3FA 0.8940
495 GLU 0.8938
496 GMN 0.8936
497 275 0.8936
498 4CL 0.8933
499 DMI 0.8933
500 FFP 0.8933
501 SLP 0.8932
502 FP1 0.8931
503 HTS 0.8930
504 2CH 0.8930
505 LNO 0.8930
506 XYD 0.8929
507 FLM 0.8928
508 HVB 0.8928
509 MBD 0.8927
510 UY7 0.8927
511 MZG 0.8927
512 BE7 0.8926
513 BDR 0.8924
514 L89 0.8922
515 OPE 0.8921
516 6JN 0.8920
517 ES6 0.8920
518 3V4 0.8918
519 JZ0 0.8918
520 2MY 0.8918
521 DPF 0.8917
522 PPR 0.8916
523 AGK 0.8915
524 2C9 0.8914
525 JZ2 0.8913
526 1WD 0.8911
527 5UC 0.8910
528 MSF 0.8909
529 4JJ 0.8908
530 6UA 0.8908
531 OXE 0.8907
532 AMT 0.8904
533 URP 0.8902
534 4JO 0.8902
535 OEM 0.8902
536 6M4 0.8900
537 MED 0.8898
538 CIG 0.8898
539 7WV 0.8896
540 QOS 0.8894
541 54D 0.8894
542 GUA 0.8894
543 EGD 0.8894
544 M6W 0.8893
545 PAH 0.8891
546 76X 0.8890
547 64K 0.8888
548 27Y 0.8888
549 3CL 0.8887
550 BR9 0.8886
551 CP2 0.8883
552 JBE 0.8882
553 OXZ 0.8881
554 NMJ 0.8877
555 ADE 0.8876
556 1LN 0.8871
557 YAN 0.8870
558 KOJ 0.8869
559 4XR 0.8865
560 0V5 0.8864
561 MWJ 0.8864
562 PIH 0.8863
563 PPV 0.8862
564 3CE 0.8861
565 6MH 0.8861
566 2A1 0.8859
567 LRH 0.8858
568 ABE 0.8858
569 2AF 0.8858
570 4H2 0.8855
571 MZY 0.8853
572 HEW 0.8852
573 ETX 0.8851
574 RAM 0.8850
575 URQ 0.8848
576 TFS 0.8847
577 BSX 0.8845
578 TSZ 0.8845
579 SC2 0.8844
580 GLN 0.8840
581 T6C 0.8839
582 8GC 0.8839
583 M3T 0.8839
584 4HA 0.8839
585 2CM 0.8838
586 3MH 0.8836
587 J3K 0.8834
588 9A4 0.8832
589 HGW 0.8831
590 47J 0.8829
591 3MT 0.8828
592 6HQ 0.8826
593 1P3 0.8825
594 2XX 0.8824
595 SPV 0.8823
596 TM4 0.8818
597 1BP 0.8818
598 L3Q 0.8815
599 PHB 0.8815
600 3ZS 0.8814
601 SKJ 0.8813
602 SVJ 0.8813
603 4MZ 0.8812
604 6MP 0.8812
605 2TQ 0.8810
606 3XX 0.8809
607 HY1 0.8809
608 260 0.8804
609 F05 0.8804
610 NPO 0.8802
611 TLD 0.8801
612 PXO 0.8800
613 BHO 0.8800
614 14J 0.8796
615 DUB 0.8793
616 IUR 0.8791
617 B3R 0.8791
618 6AI 0.8791
619 7MH 0.8790
620 261 0.8789
621 XM0 0.8789
622 MSE 0.8787
623 C2A 0.8786
624 FYU 0.8785
625 AUD 0.8785
626 BZX 0.8783
627 1MZ 0.8782
628 9DA 0.8782
629 FAN 0.8781
630 2MZ 0.8778
631 MNM 0.8777
632 9EW 0.8777
633 7WA 0.8776
634 TNE 0.8770
635 ES4 0.8770
636 BP1 0.8768
637 10L 0.8768
638 CFI 0.8767
639 3TR 0.8764
640 Z82 0.8763
641 XXR 0.8762
642 61G 0.8761
643 HOW 0.8760
644 ISZ 0.8760
645 6F0 0.8760
646 HHQ 0.8759
647 LLQ 0.8759
648 9HX 0.8755
649 JZ6 0.8754
650 6CS 0.8753
651 2AI 0.8753
652 4JL 0.8753
653 TH7 0.8752
654 PM6 0.8749
655 POP 0.8749
656 14O 0.8748
657 DFB 0.8748
658 RSO 0.8746
659 MR3 0.8746
660 2CK 0.8742
661 5MB 0.8741
662 MTD 0.8741
663 2PN 0.8740
664 2K4 0.8740
665 13D 0.8740
666 5KX 0.8739
667 ZZT 0.8738
668 13P 0.8737
669 Y8I 0.8737
670 5H1 0.8736
671 2MI 0.8736
672 GLY GLY 0.8735
673 270 0.8734
674 AX7 0.8734
675 JAE 0.8733
676 C2B 0.8733
677 5MI 0.8732
678 13X 0.8729
679 CXF 0.8728
680 F60 0.8728
681 JIF 0.8728
682 DZZ 0.8727
683 QUZ 0.8726
684 BTE 0.8726
685 7A8 0.8726
686 5MP 0.8722
687 MMQ 0.8722
688 XRG 0.8721
689 NSP 0.8721
690 24B 0.8721
691 3AB 0.8721
692 0RW 0.8720
693 SVN 0.8720
694 MLE 0.8714
695 ES9 0.8710
696 MYQ 0.8709
697 IFL 0.8708
698 2LP 0.8708
699 6M9 0.8707
700 1DV 0.8705
701 PEL 0.8704
702 3NT 0.8702
703 BYZ 0.8701
704 11S 0.8699
705 AX2 0.8699
706 EFS 0.8699
707 HMH 0.8698
708 FQI 0.8696
709 RHU 0.8692
710 271 0.8691
711 HMU 0.8691
712 BR8 0.8691
713 1Y8 0.8687
714 WDL 0.8682
715 G6D 0.8682
716 MFB 0.8682
717 ARW 0.8681
718 PTO 0.8680
719 NPY 0.8678
720 RNS 0.8677
721 BRP 0.8676
722 G4D 0.8676
723 PEA 0.8672
724 94N 0.8671
725 PZI 0.8669
726 PYZ 0.8667
727 JZ4 0.8667
728 53C 0.8663
729 PMB 0.8662
730 3AY 0.8661
731 N8P 0.8657
732 ES3 0.8654
733 2BN 0.8654
734 M1A 0.8653
735 H8N 0.8653
736 NOJ 0.8652
737 ABV 0.8648
738 5M0 0.8645
739 RM4 0.8645
740 4PW 0.8638
741 F81 0.8633
742 911 0.8629
743 MAN 0.8626
744 9TZ 0.8623
745 23A 0.8622
746 OVV 0.8618
747 AKG 0.8617
748 8H8 0.8613
749 PIS 0.8611
750 FCB 0.8608
751 CNL 0.8605
752 TIU 0.8604
753 DSS 0.8601
754 SJ5 0.8601
755 PBZ 0.8601
756 AC6 0.8597
757 GRE 0.8596
758 CAE 0.8595
759 ACH 0.8595
760 3Q7 0.8594
761 67N 0.8591
762 SW7 0.8591
763 2ZV 0.8591
764 2ZX 0.8587
765 T9G 0.8583
766 IF7 0.8583
767 MGX 0.8581
768 GAB 0.8580
769 7WG 0.8580
770 FBV 0.8578
771 CAM 0.8572
772 HX3 0.8568
773 GLC 0.8567
774 NIZ 0.8566
775 MXN 0.8561
776 NHY 0.8547
777 ATO 0.8544
778 5NU 0.8542
779 5HN 0.8540
780 6M1 0.8520
781 3BZ 0.8510
Ligand no: 2; Ligand: ATP; Similar ligands found: 41
No: Ligand Similarity coefficient
1 ADP AF3 0.9964
2 ADP ALF 0.9801
3 ADP VO4 0.9704
4 BEF GDP 0.9696
5 GDP ALF 0.9646
6 GDP AF3 0.9633
7 GDP BEF 0.9621
8 ALF GDP 0.9621
9 DBG 0.9581
10 CTP 0.9340
11 UTP 0.9337
12 GDP MG 0.9246
13 DGT 0.9177
14 DCP 0.9141
15 DCP MG 0.9114
16 8DG 0.9051
17 MGT 0.9049
18 6U4 0.8990
19 2KH 0.8972
20 MSP 0.8951
21 TTP 0.8917
22 MOD 0.8909
23 8GT 0.8879
24 G2P 0.8852
25 DGI 0.8847
26 2TM 0.8819
27 L3U 0.8814
28 M7G 0.8804
29 GP2 0.8802
30 DUT 0.8788
31 UNP 0.8786
32 Y9Z 0.8773
33 F6G 0.8769
34 DUP 0.8755
35 GH3 0.8730
36 D3T 0.8684
37 0RC 0.8650
38 BUP 0.8621
39 DUT MG 0.8599
40 UDP 0.8570
41 TYR AMP 0.8561
Ligand no: 3; Ligand: 8QN; Similar ligands found: 3
No: Ligand Similarity coefficient
1 7DT 0.8706
2 DGT 0.8658
3 GDP 0.8633
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5N9X; Ligand: 8QN; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 5n9x.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 6IJB AMP 28.1664
2 3CW9 AMP 44.8413
3 3CW9 AMP 44.8413
4 1AMU AMP 48.0151
5 1AMU AMP 48.0151
Pocket No.: 2; Query (leader) PDB : 5N9X; Ligand: ATP; Similar sites found with APoc: 9
This union binding pocket(no: 2) in the query (biounit: 5n9x.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 6OZ1 AMP 8.12854
2 5MST AMP 23.8185
3 5MST AMP 23.8185
4 5MSD AMP 26.276
5 6IJB AMP 28.1664
6 6AKD A5A 44.0454
7 3CW9 AMP 44.8413
8 1AMU AMP 48.0151
9 1AMU AMP 48.0151
Pocket No.: 3; Query (leader) PDB : 5N9X; Ligand: THR; 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: 5n9x.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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