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 1579 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 1312 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 1130 families.
1 5N9X - THR C4 H9 N O3 C[C@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: THR; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 THR 1 1
2 ALO 1 1
3 VAL 0.65 0.714286
4 DAL 0.578947 0.789474
5 ALA 0.578947 0.789474
6 ILE 0.541667 0.6
7 VAH 0.541667 0.76
8 HGY 0.526316 0.625
9 AHB 0.5 0.6
10 DBB 0.434783 0.625
11 AKB 0.434783 0.857143
12 ABA 0.434783 0.625
13 LFC 0.407407 0.619048
Ligand no: 2; Ligand: ATP; Similar ligands found: 455
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 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 SAP 0.84 0.945946
11 AGS 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 TAT 0.794872 0.958904
20 T99 0.794872 0.958904
21 ACQ 0.794872 0.972222
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 A 0.788732 0.971429
25 AMP 0.788732 0.971429
26 ANP 0.772152 0.972222
27 HQG 0.756098 0.985915
28 CA0 0.753247 0.945205
29 ADX 0.753247 0.873418
30 A22 0.746988 0.985915
31 KG4 0.74359 0.945205
32 50T 0.74359 0.958333
33 APC 0.734177 0.958904
34 PRX 0.734177 0.893333
35 ABM 0.733333 0.917808
36 45A 0.733333 0.917808
37 ATF 0.731707 0.958904
38 7D4 0.730769 0.905405
39 ITT 0.730769 0.943662
40 A3R 0.729412 0.907895
41 ADQ 0.729412 0.945205
42 A12 0.714286 0.958904
43 AP2 0.714286 0.958904
44 A1R 0.709302 0.907895
45 SRA 0.706667 0.918919
46 5AL 0.698795 0.931507
47 8LE 0.698795 0.894737
48 ADP MG 0.696203 0.943662
49 HFD 0.695122 0.945946
50 JSQ 0.695122 0.945946
51 9X8 0.693182 0.92
52 OAD 0.693182 0.945205
53 AU1 0.6875 0.972222
54 APC MG 0.682927 0.917808
55 8LH 0.682353 0.906667
56 SRP 0.682353 0.906667
57 G5P 0.680851 0.921053
58 OZV 0.678161 0.971831
59 25A 0.678161 0.971831
60 3OD 0.677778 0.945205
61 4AD 0.670455 0.92
62 G3A 0.670213 0.921053
63 8LQ 0.666667 0.906667
64 00A 0.662921 0.883117
65 ATP MG 0.662651 0.943662
66 ADV 0.662651 0.932432
67 ADP PO3 0.662651 0.943662
68 RBY 0.662651 0.932432
69 BIS 0.659341 0.933333
70 OOB 0.659091 0.931507
71 5SV 0.659091 0.848101
72 8QN 0.659091 0.931507
73 GTA 0.65625 0.886076
74 UP5 0.653061 0.92
75 AMO 0.651685 0.932432
76 PAJ 0.651685 0.884615
77 2A5 0.650602 0.918919
78 MAP 0.647727 0.945946
79 3AT 0.647059 0.971831
80 DLL 0.644444 0.931507
81 AHX 0.644444 0.896104
82 PAP 0.642857 0.985714
83 ATR 0.642857 0.971429
84 PTJ 0.641304 0.896104
85 7D3 0.6375 0.905405
86 3UK 0.637363 0.918919
87 SON 0.634146 0.932432
88 A4P 0.633663 0.843373
89 ALF ADP 0.632184 0.87013
90 ADP ALF 0.632184 0.87013
91 LAD 0.630435 0.860759
92 PR8 0.630435 0.85
93 B5V 0.630435 0.906667
94 WAQ 0.630435 0.883117
95 AFH 0.628866 0.884615
96 LMS 0.628205 0.82716
97 DTP 0.627907 0.905405
98 GAP 0.627907 0.893333
99 VO4 ADP 0.625 0.931507
100 ADP VO4 0.625 0.931507
101 FYA 0.623656 0.905405
102 ME8 0.623656 0.839506
103 NB8 0.623656 0.896104
104 TXA 0.623656 0.932432
105 1ZZ 0.623656 0.839506
106 DQV 0.622449 0.958333
107 T5A 0.621359 0.841463
108 ADN 0.619718 0.84507
109 XYA 0.619718 0.84507
110 RAB 0.619718 0.84507
111 DAL AMP 0.611111 0.905405
112 9SN 0.610526 0.871795
113 48N 0.61 0.896104
114 AP0 0.607843 0.896104
115 9ZA 0.604396 0.907895
116 9ZD 0.604396 0.907895
117 B5Y 0.604167 0.894737
118 B5M 0.604167 0.894737
119 YAP 0.604167 0.894737
120 FA5 0.604167 0.906667
121 TXD 0.60396 0.907895
122 6V0 0.60396 0.896104
123 NXX 0.60396 0.932432
124 DND 0.60396 0.932432
125 NAI 0.60396 0.907895
126 NAX 0.60396 0.873418
127 ADP BMA 0.602151 0.918919
128 A2R 0.6 0.985915
129 OMR 0.598039 0.851852
130 TXE 0.598039 0.907895
131 XAH 0.597938 0.839506
132 7DT 0.593023 0.985714
133 AOC 0.592593 0.821918
134 4UV 0.591837 0.894737
135 DDS 0.590909 0.878378
136 139 0.590476 0.873418
137 CNA 0.584906 0.932432
138 6AD 0.58427 0.909091
139 5AS 0.583333 0.77907
140 5N5 0.581081 0.819444
141 4UU 0.58 0.894737
142 GA7 0.58 0.906667
143 4TC 0.576923 0.896104
144 ADJ 0.575472 0.851852
145 A4D 0.573333 0.819444
146 5CD 0.573333 0.805556
147 A3P 0.571429 0.971429
148 RGT 0.571429 0.958904
149 7D5 0.56962 0.878378
150 LAQ 0.568627 0.839506
151 NO7 0.565217 0.932432
152 F2R 0.564815 0.864198
153 80F 0.563636 0.841463
154 YLP 0.563107 0.819277
155 A A 0.5625 0.944444
156 UPA 0.561905 0.907895
157 AV2 0.56044 0.917808
158 COD 0.559633 0.811765
159 4UW 0.557692 0.860759
160 JB6 0.556701 0.883117
161 ATP A 0.555556 0.930556
162 ATP A A A 0.555556 0.930556
163 3AM 0.555556 0.929577
164 A2P 0.552941 0.957143
165 TYM 0.552381 0.906667
166 NA7 0.552083 0.958904
167 EP4 0.551282 0.753247
168 MYR AMP 0.55102 0.817073
169 PPS 0.549451 0.873418
170 YLB 0.54717 0.819277
171 YLC 0.54717 0.839506
172 H1Q 0.545455 0.90411
173 NAD 0.545455 0.931507
174 DAT 0.545455 0.905405
175 TYR AMP 0.544554 0.87013
176 G5A 0.544444 0.77907
177 DTA 0.544304 0.786667
178 M2T 0.544304 0.734177
179 3DH 0.54321 0.773333
180 128 0.542857 0.776471
181 AHZ 0.538462 0.817073
182 GTP 0.537634 0.92
183 SSA 0.537634 0.8
184 MTA 0.5375 0.773333
185 IOT 0.537037 0.831325
186 A3D 0.535714 0.918919
187 7MD 0.533981 0.8625
188 AR6 AR6 0.533981 0.917808
189 ARG AMP 0.533981 0.829268
190 YLA 0.53211 0.819277
191 AMP DBH 0.529412 0.893333
192 IMO 0.529412 0.929577
193 TAD 0.528846 0.884615
194 AYB 0.527273 0.809524
195 HDV 0.526882 0.893333
196 A5A 0.526882 0.807229
197 TSB 0.526316 0.819277
198 EAD 0.525424 0.873418
199 2AM 0.52439 0.943662
200 6RE 0.52381 0.759494
201 6MZ 0.523256 0.930556
202 7DD 0.522727 0.985714
203 V3L 0.521739 0.971831
204 AVV 0.520833 0.896104
205 BTX 0.517857 0.841463
206 NAE 0.517241 0.894737
207 VMS 0.515789 0.788235
208 54H 0.515789 0.788235
209 52H 0.515789 0.77907
210 NSS 0.515464 0.8
211 BT5 0.513274 0.831325
212 NAQ 0.512821 0.871795
213 ZAS 0.511905 0.766234
214 A3N 0.511628 0.786667
215 J7C 0.511628 0.769231
216 5X8 0.511111 0.763158
217 8X1 0.510417 0.752809
218 53H 0.510417 0.77907
219 5CA 0.510417 0.8
220 ARU 0.510204 0.860759
221 NVA LMS 0.510204 0.752809
222 AF3 ADP 3PG 0.509259 0.8375
223 ZID 0.508475 0.918919
224 P1H 0.508197 0.851852
225 OVE 0.505882 0.905405
226 S4M 0.505747 0.666667
227 LEU LMS 0.50505 0.752809
228 LPA AMP 0.504673 0.817073
229 7MC 0.504587 0.841463
230 DSZ 0.5 0.8
231 MAO 0.5 0.759036
232 DSH 0.5 0.725
233 FB0 0.5 0.804598
234 P5A 0.5 0.744444
235 DZD 0.5 0.884615
236 LSS 0.5 0.761364
237 NDE 0.495935 0.932432
238 N0B 0.495798 0.819277
239 M24 0.495726 0.85
240 YLY 0.495726 0.809524
241 NJP 0.495575 0.945946
242 9K8 0.49505 0.714286
243 MGP 0.494737 0.884615
244 6C6 0.494624 0.881579
245 NAJ PZO 0.491379 0.848101
246 0WD 0.491228 0.921053
247 6G0 0.489583 0.884615
248 GJV 0.488636 0.75
249 6FA 0.488189 0.841463
250 5AD 0.486842 0.746479
251 GSU 0.485149 0.77907
252 KAA 0.485149 0.752809
253 71V 0.483146 0.907895
254 A3G 0.482759 0.8
255 NEC 0.482759 0.746667
256 ODP 0.482456 0.909091
257 FAS 0.48062 0.851852
258 FAD 0.48062 0.851852
259 7D7 0.480519 0.743243
260 FDA 0.480315 0.833333
261 N6P 0.48 0.915493
262 2SA 0.479167 0.932432
263 GP3 0.478723 0.921053
264 4TA 0.478261 0.807229
265 AMP NAD 0.478261 0.905405
266 SFG 0.478261 0.75
267 G A A A 0.478261 0.871795
268 NDP 0.477876 0.921053
269 NPW 0.477876 0.886076
270 NDC 0.47619 0.871795
271 YSA 0.47619 0.77907
272 LQJ 0.47619 0.917808
273 NAJ PYZ 0.475 0.807229
274 MGO 0.474227 0.860759
275 NZQ 0.473684 0.909091
276 6IA 0.473684 0.8375
277 GDP 0.473684 0.92
278 TXP 0.473684 0.921053
279 A7D 0.472527 0.776316
280 J4G 0.470588 0.92
281 SFD 0.469231 0.734043
282 A5D 0.468085 0.786667
283 ZDA 0.468085 0.864865
284 SA8 0.468085 0.707317
285 12D 0.46789 0.785714
286 PGS 0.467391 0.883117
287 MHZ 0.467391 0.697674
288 8PZ 0.466667 0.8
289 62F 0.466165 0.8625
290 DA 0.465909 0.878378
291 D5M 0.465909 0.878378
292 GGZ 0.464646 0.825
293 SAH 0.463158 0.74359
294 SAI 0.463158 0.734177
295 FAY 0.462687 0.8625
296 Y3J 0.4625 0.726027
297 B1U 0.462264 0.736264
298 PO4 PO4 A A A A PO4 0.460784 0.902778
299 AAM 0.460674 0.971429
300 RFL 0.459259 0.821429
301 HF7 0.459184 0.893333
302 SMM 0.459184 0.686047
303 C2R 0.458824 0.90411
304 AMZ 0.458824 0.916667
305 SAM 0.458333 0.690476
306 A3S 0.456522 0.810811
307 FNK 0.455224 0.804598
308 U A 0.453782 0.907895
309 7C5 0.453704 0.818182
310 AAT 0.453608 0.707317
311 EEM 0.453608 0.690476
312 A G 0.452991 0.883117
313 XNP 0.452991 0.873418
314 PRT 0.45283 0.931507
315 AIR 0.451219 0.901408
316 62X 0.45098 0.666667
317 KOY 0.45045 0.802632
318 DCA 0.45 0.823529
319 GSP 0.45 0.873418
320 ETB 0.45 0.833333
321 N5O 0.449438 0.763158
322 U A G G 0.449153 0.883117
323 NIA 0.448276 0.822785
324 A3T 0.446809 0.821918
325 A A A 0.446602 0.905405
326 K15 0.446602 0.682353
327 PUA 0.446281 0.884615
328 6K6 0.445545 0.930556
329 GEK 0.445545 0.7375
330 4YB 0.445455 0.761364
331 S7M 0.444444 0.690476
332 1DG 0.443548 0.921053
333 DG1 0.443548 0.921053
334 Z5A 0.443548 0.77907
335 0T1 0.442623 0.823529
336 COA 0.442623 0.823529
337 WSA 0.442478 0.788235
338 N5A 0.43956 0.736842
339 8BR 0.43956 0.906667
340 8Q2 0.438596 0.772727
341 101 0.438202 0.878378
342 IDP 0.4375 0.918919
343 NVA 2AD 0.4375 0.759494
344 9JJ 0.435714 0.8625
345 NAP 0.435484 0.945205
346 APU 0.434783 0.894737
347 A U 0.434783 0.87013
348 7RP 0.433333 0.928571
349 A6D 0.432692 0.722892
350 30N 0.432 0.752688
351 CAO 0.432 0.795455
352 TAP 0.432 0.907895
353 COS 0.432 0.804598
354 J7V 0.432 0.833333
355 AMX 0.432 0.833333
356 V1N 0.431193 0.917808
357 649 0.429825 0.744444
358 P5F 0.429577 0.823529
359 CMX 0.428571 0.823529
360 SCO 0.428571 0.823529
361 NA0 0.428571 0.932432
362 7RA 0.428571 0.957747
363 GAV 0.427184 0.884615
364 0UM 0.427184 0.698795
365 QQY 0.426966 0.815789
366 1RB 0.426966 0.885714
367 ACK 0.426966 0.861111
368 G1R 0.425743 0.907895
369 GCP 0.425743 0.896104
370 FAM 0.425197 0.804598
371 ACO 0.425197 0.795455
372 FCX 0.425197 0.795455
373 OZP 0.424779 0.728395
374 GNH 0.424242 0.907895
375 F2N 0.423611 0.813953
376 GKE 0.422018 0.884615
377 GDC 0.422018 0.884615
378 GDD 0.422018 0.884615
379 HAX 0.421875 0.804598
380 3AD 0.421687 0.805556
381 GNP 0.421569 0.896104
382 9GM 0.421569 0.896104
383 FA9 0.42069 0.864198
384 TM1 0.420561 0.77381
385 KB1 0.420561 0.698795
386 9BG 0.420168 0.896104
387 H6Y 0.42 0.945205
388 2MC 0.419847 0.769231
389 FYN 0.418605 0.823529
390 3KK 0.418605 0.804598
391 S8M 0.417476 0.759494
392 7L1 0.417323 0.795455
393 26A 0.416667 0.763158
394 NHD 0.416667 0.905405
395 2VA 0.416667 0.8
396 HZ2 0.415929 0.731707
397 QQX 0.41573 0.805195
398 SOP 0.415385 0.804598
399 KGP 0.415385 0.729167
400 COK 0.415385 0.804598
401 YZS 0.415385 0.729167
402 MCD 0.415385 0.804598
403 CA6 0.415385 0.729167
404 OXK 0.415385 0.804598
405 YE1 0.413534 0.813953
406 AS 0.413043 0.833333
407 FAI 0.413043 0.916667
408 RMB 0.413043 0.873239
409 CMC 0.412214 0.804598
410 CO6 0.412214 0.804598
411 1VU 0.412214 0.795455
412 NMX 0.412214 0.76087
413 SXZ 0.411215 0.710843
414 ANZ 0.410714 0.8
415 SCA 0.410448 0.804598
416 CAJ 0.409091 0.804598
417 SCD 0.409091 0.823529
418 HY8 0.408696 0.731707
419 EO7 0.408602 0.788235
420 D3Y 0.407767 0.789474
421 CC5 0.407407 0.816901
422 KGA 0.407407 0.744681
423 KH3 0.40708 0.674419
424 SLU 0.406504 0.770115
425 A C A C 0.406504 0.848101
426 5GP 0.40625 0.906667
427 G 0.40625 0.906667
428 KGJ 0.406015 0.752688
429 A1S 0.406015 0.804598
430 IVC 0.406015 0.813953
431 MLC 0.406015 0.804598
432 3HC 0.406015 0.813953
433 BCO 0.406015 0.804598
434 1HE 0.406015 0.786517
435 GTG 0.405405 0.886076
436 NMN AMP PO4 0.404959 0.87013
437 3L1 0.404762 0.773333
438 3D1 0.404762 0.773333
439 2BA 0.404255 0.915493
440 CMP 0.404255 0.901408
441 VRT 0.40404 0.769231
442 SO8 0.40404 0.789474
443 SO5 0.402985 0.721649
444 MCA 0.402985 0.795455
445 CAA 0.402985 0.813953
446 COO 0.402985 0.804598
447 LCV 0.402985 0.721649
448 G2R 0.401869 0.884615
449 3NZ 0.401869 0.782051
450 YXR 0.4 0.729167
451 2CP 0.4 0.795455
452 ZZB 0.4 0.77381
453 MC4 0.4 0.76087
454 YXS 0.4 0.729167
455 2FA 0.4 0.813333
Ligand no: 3; Ligand: 8QN; Similar ligands found: 359
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 ME8 0.731183 0.898734
11 PTJ 0.731183 0.934211
12 4AD 0.725275 0.933333
13 LAD 0.72043 0.897436
14 8LE 0.715909 0.959459
15 NB8 0.712766 0.909091
16 TXA 0.712766 0.972603
17 BA3 0.710843 0.931507
18 A2D 0.707317 0.931507
19 AP5 0.702381 0.931507
20 B4P 0.702381 0.931507
21 AN2 0.694118 0.918919
22 FA5 0.690722 0.945946
23 YAP 0.690722 0.933333
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 PRX 0.670455 0.906667
30 AQP 0.670455 0.931507
31 5FA 0.670455 0.931507
32 ADX 0.666667 0.839506
33 ABM 0.666667 0.931507
34 45A 0.666667 0.931507
35 DLL 0.663158 0.972222
36 YLP 0.660194 0.876543
37 OOB 0.659574 0.972222
38 ACP 0.659091 0.906667
39 ATP 0.659091 0.931507
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 SAP 0.644444 0.883117
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 WAQ 0.632653 0.921053
57 B5V 0.632653 0.945946
58 PR8 0.632653 0.886076
59 A12 0.632184 0.894737
60 AP2 0.632184 0.894737
61 TYM 0.632075 0.945946
62 TSB 0.631579 0.831325
63 ACQ 0.630435 0.906667
64 ANP 0.630435 0.906667
65 B5M 0.623762 0.959459
66 B5Y 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 4UV 0.61165 0.933333
76 AU1 0.611111 0.906667
77 6YZ 0.610526 0.906667
78 3OD 0.61 0.986111
79 YLA 0.609091 0.853659
80 5SV 0.608247 0.860759
81 9X8 0.606061 0.933333
82 HQG 0.604167 0.945205
83 A3R 0.602041 0.871795
84 XAH 0.601942 0.851852
85 SON 0.6 0.945946
86 ADP MG 0.6 0.930556
87 4UU 0.6 0.933333
88 A22 0.597938 0.918919
89 APC 0.597826 0.894737
90 TAT 0.595745 0.894737
91 T99 0.595745 0.894737
92 FYA 0.594059 0.893333
93 OZV 0.591837 0.931507
94 25A 0.591837 0.931507
95 ADV 0.591398 0.92
96 RBY 0.591398 0.92
97 LAQ 0.588785 0.875
98 ADQ 0.585859 0.932432
99 GA7 0.584906 0.894737
100 YLY 0.581197 0.865854
101 4UW 0.577982 0.922078
102 LMS 0.574713 0.817073
103 ATP MG 0.574468 0.930556
104 ADP PO3 0.574468 0.930556
105 APC MG 0.574468 0.905405
106 VMS 0.571429 0.821429
107 54H 0.571429 0.821429
108 AP0 0.567568 0.884615
109 A5A 0.56701 0.841463
110 DQV 0.564815 0.945205
111 BIS 0.563107 0.871795
112 G3A 0.560748 0.884615
113 25L 0.557692 0.918919
114 MYR AMP 0.557692 0.875
115 IOT 0.557522 0.843373
116 G5P 0.555556 0.884615
117 AFH 0.555556 0.873418
118 N0B 0.553719 0.853659
119 TYR AMP 0.551402 0.907895
120 ALF ADP 0.55102 0.858974
121 ADP ALF 0.55102 0.858974
122 GTA 0.550459 0.875
123 MAP 0.55 0.883117
124 TXD 0.54955 0.896104
125 NAI 0.54955 0.896104
126 VO4 ADP 0.545455 0.918919
127 ADP VO4 0.545455 0.918919
128 TXE 0.544643 0.896104
129 OMR 0.544643 0.8875
130 F2R 0.543103 0.853659
131 ARG AMP 0.541284 0.841463
132 52H 0.54 0.811765
133 LSS 0.539216 0.793103
134 COD 0.538462 0.823529
135 5AS 0.537634 0.790698
136 A3T 0.536842 0.835616
137 TAD 0.536364 0.873418
138 6V0 0.535714 0.884615
139 NXX 0.535714 0.945946
140 DND 0.535714 0.945946
141 NAX 0.535714 0.8625
142 5CA 0.534653 0.790698
143 53H 0.534653 0.811765
144 BT5 0.533898 0.843373
145 JB6 0.533333 0.871795
146 2A5 0.53125 0.857143
147 SSA 0.53 0.790698
148 80F 0.529412 0.853659
149 AOC 0.527473 0.810811
150 7MD 0.527273 0.875
151 T5A 0.525862 0.853659
152 XYA 0.52439 0.808219
153 RAB 0.52439 0.808219
154 ADN 0.52439 0.808219
155 5CD 0.52381 0.794521
156 AMP DBH 0.522936 0.881579
157 UP5 0.522124 0.907895
158 CNA 0.521368 0.92
159 5X8 0.520833 0.8
160 G5A 0.520408 0.790698
161 AF3 ADP 3PG 0.517544 0.873418
162 DTA 0.517241 0.776316
163 3DH 0.516854 0.786667
164 A3D 0.516667 0.958904
165 M24 0.516393 0.886076
166 ADP BMA 0.514286 0.906667
167 LEU LMS 0.514286 0.784091
168 LPA AMP 0.513274 0.851852
169 ADJ 0.512821 0.841463
170 5N5 0.511905 0.783784
171 MTA 0.511364 0.786667
172 DSZ 0.509615 0.811765
173 A A 0.509434 0.905405
174 A4P 0.508621 0.811765
175 NAQ 0.508065 0.909091
176 A4D 0.505882 0.783784
177 EP4 0.505747 0.766234
178 7D5 0.505618 0.842105
179 NVA LMS 0.504762 0.784091
180 9K8 0.504673 0.764045
181 AHZ 0.504425 0.875
182 4TC 0.5 0.884615
183 7D3 0.5 0.844156
184 SMM 0.5 0.738095
185 NAD 0.5 0.945205
186 7MC 0.5 0.876543
187 M2T 0.5 0.746835
188 UPA 0.5 0.896104
189 KAA 0.495327 0.764045
190 GSU 0.495327 0.811765
191 NSS 0.495238 0.790698
192 EEM 0.49505 0.743902
193 PAP 0.494949 0.917808
194 SA8 0.494949 0.7625
195 ATR 0.494949 0.90411
196 7D4 0.494845 0.844156
197 A3P 0.494737 0.930556
198 ATP A 0.490909 0.917808
199 ATP A A A 0.490909 0.917808
200 8X1 0.490385 0.764045
201 SAH 0.49 0.779221
202 SFG 0.489796 0.786667
203 H1Q 0.489796 0.891892
204 NAE 0.488 0.933333
205 BTX 0.487603 0.831325
206 139 0.487395 0.8625
207 YSA 0.486486 0.790698
208 SAM 0.485149 0.743902
209 FB0 0.484848 0.795455
210 EAD 0.484375 0.886076
211 6RE 0.483871 0.728395
212 P5A 0.481481 0.755556
213 A2R 0.480769 0.945205
214 PPS 0.480392 0.817073
215 6AD 0.480392 0.873418
216 ITT 0.479592 0.878378
217 A2P 0.479167 0.916667
218 3AM 0.478261 0.890411
219 8PZ 0.477477 0.790698
220 ARU 0.476636 0.82716
221 NAJ PZO 0.475806 0.860759
222 SAI 0.475248 0.769231
223 AR6 AR6 0.473684 0.931507
224 J7C 0.473684 0.7375
225 ZAS 0.473118 0.75641
226 DZD 0.471545 0.873418
227 S7M 0.471154 0.743902
228 P1H 0.469697 0.864198
229 NDE 0.469697 0.92
230 A7D 0.469388 0.766234
231 6MZ 0.46875 0.917808
232 ZID 0.46875 0.932432
233 S4M 0.46875 0.678161
234 J4G 0.46789 0.933333
235 MAO 0.463918 0.771084
236 AMP NAD 0.463415 0.945205
237 DSH 0.463158 0.716049
238 NAJ PYZ 0.460938 0.819277
239 JSQ 0.460784 0.883117
240 HFD 0.460784 0.883117
241 2VA 0.46 0.813333
242 A3N 0.458333 0.753247
243 IMO 0.458333 0.890411
244 GEK 0.457944 0.772152
245 FAS 0.456522 0.864198
246 FAD 0.456522 0.864198
247 6IA 0.456311 0.82716
248 3AT 0.456311 0.905405
249 V3L 0.456311 0.958333
250 A3S 0.454545 0.8
251 FNK 0.453901 0.795455
252 WSA 0.453782 0.8
253 0UM 0.453704 0.753086
254 GJV 0.453608 0.719512
255 2AM 0.451613 0.878378
256 A5D 0.45098 0.776316
257 SXZ 0.45045 0.765432
258 62X 0.449541 0.717647
259 A3G 0.447917 0.789474
260 NEC 0.447917 0.76
261 2SA 0.447619 0.92
262 B1U 0.447368 0.747253
263 5AD 0.447059 0.760563
264 SO8 0.446602 0.802632
265 SFD 0.446043 0.744681
266 K15 0.445455 0.73494
267 NA7 0.445455 0.894737
268 FDA 0.445255 0.823529
269 6FA 0.442029 0.853659
270 NDC 0.441176 0.884615
271 G A A A 0.44 0.860759
272 4TA 0.44 0.841463
273 0WD 0.44 0.884615
274 7C5 0.439655 0.831169
275 NO7 0.439252 0.87013
276 AAT 0.438095 0.698795
277 8Q2 0.438017 0.764045
278 OVE 0.4375 0.844156
279 KOY 0.436975 0.84
280 NVA 2AD 0.436893 0.772152
281 PGS 0.435644 0.825
282 MHZ 0.435644 0.709302
283 AV2 0.433962 0.855263
284 6C6 0.432692 0.846154
285 VRT 0.432692 0.782051
286 4YB 0.432203 0.793103
287 NJP 0.432 0.907895
288 DAT 0.431373 0.844156
289 AVV 0.431193 0.860759
290 FAY 0.430556 0.875
291 P5F 0.42953 0.835294
292 DTP 0.428571 0.844156
293 A G 0.428571 0.871795
294 RFL 0.427586 0.833333
295 NDP 0.427419 0.884615
296 Y3J 0.426966 0.716216
297 DCA 0.426357 0.813953
298 ETB 0.426357 0.823529
299 AMZ 0.425532 0.878378
300 C2R 0.425532 0.891892
301 7D7 0.425287 0.733333
302 U A G G 0.425197 0.871795
303 TXP 0.424 0.884615
304 NZQ 0.424 0.873418
305 62F 0.423611 0.851852
306 LQJ 0.422414 0.905405
307 GGZ 0.422018 0.792683
308 FA9 0.421053 0.853659
309 KB1 0.421053 0.731707
310 ODP 0.420635 0.873418
311 71V 0.42 0.848101
312 0T1 0.419847 0.813953
313 COA 0.419847 0.813953
314 A6D 0.419643 0.714286
315 U A 0.418605 0.896104
316 N5O 0.418367 0.753247
317 S8M 0.418182 0.75
318 649 0.418033 0.755556
319 NPW 0.416 0.851852
320 3NZ 0.415929 0.794872
321 F2N 0.414474 0.804598
322 OZP 0.413223 0.7625
323 N6P 0.410714 0.876712
324 Z5A 0.410448 0.811765
325 CAO 0.410448 0.786517
326 COS 0.410448 0.795455
327 30N 0.410448 0.744681
328 AMX 0.410448 0.823529
329 N5A 0.41 0.727273
330 D3Y 0.409091 0.779221
331 KH3 0.408333 0.72619
332 SCO 0.407407 0.835294
333 NA0 0.407407 0.945946
334 CMX 0.407407 0.835294
335 A A A 0.40708 0.893333
336 PO4 PO4 A A A A PO4 0.40708 0.890411
337 9JJ 0.406667 0.851852
338 KGP 0.405797 0.721649
339 MCD 0.405797 0.816092
340 YZS 0.405797 0.721649
341 CA6 0.405797 0.721649
342 6K6 0.405405 0.891892
343 FAM 0.404412 0.795455
344 FCX 0.404412 0.806818
345 ACO 0.404412 0.786517
346 SO5 0.404255 0.731959
347 LCV 0.404255 0.731959
348 D5M 0.40404 0.842105
349 DA 0.40404 0.842105
350 CO6 0.402878 0.795455
351 26A 0.402174 0.753247
352 NIA 0.402062 0.790123
353 DDS 0.401869 0.818182
354 HAX 0.40146 0.795455
355 FAD NBT 0.4 0.741935
356 AAM 0.4 0.930556
357 FAI 0.4 0.878378
358 2MC 0.4 0.76087
359 ANZ 0.4 0.768293
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: 8
This union binding pocket(no: 2) in the query (biounit: 5n9x.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5MST AMP 23.8185
2 5MST AMP 23.8185
3 5MSD AMP 26.276
4 6IJB AMP 28.1664
5 6AKD A5A 44.0454
6 3CW9 AMP 44.8413
7 1AMU AMP 48.0151
8 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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