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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 1443 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 1205 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 1039 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 VAH 0.541667 0.76
7 ILE 0.541667 0.6
8 HGY 0.526316 0.625
9 AHB 0.5 0.6
10 AKB 0.434783 0.857143
11 DBB 0.434783 0.625
12 ABA 0.434783 0.625
13 LFC 0.407407 0.619048
Ligand no: 2; Ligand: ATP; Similar ligands found: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 5FA 0.985507 1
4 AQP 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 SAP 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 ACQ 0.794872 0.972222
20 TAT 0.794872 0.958904
21 T99 0.794872 0.958904
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 AMP 0.788732 0.971429
25 A 0.788732 0.971429
26 ANP 0.772152 0.972222
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 PRX 0.734177 0.893333
32 APC 0.734177 0.958904
33 ABM 0.733333 0.917808
34 ATF 0.731707 0.958904
35 ITT 0.730769 0.943662
36 7D4 0.730769 0.905405
37 ADQ 0.729412 0.945205
38 A3R 0.729412 0.907895
39 AP2 0.714286 0.958904
40 A12 0.714286 0.958904
41 A1R 0.709302 0.907895
42 SRA 0.706667 0.918919
43 5AL 0.698795 0.931507
44 HFD 0.695122 0.945946
45 9X8 0.693182 0.92
46 OAD 0.693182 0.945205
47 AU1 0.6875 0.972222
48 SRP 0.682353 0.906667
49 G5P 0.680851 0.921053
50 25A 0.678161 0.971831
51 3OD 0.677778 0.945205
52 4AD 0.670455 0.92
53 G3A 0.670213 0.921053
54 00A 0.662921 0.883117
55 RBY 0.662651 0.932432
56 ADP PO3 0.662651 0.943662
57 ADV 0.662651 0.932432
58 BIS 0.659341 0.933333
59 8QN 0.659091 0.931507
60 5SV 0.659091 0.848101
61 OOB 0.659091 0.931507
62 GTA 0.65625 0.886076
63 UP5 0.653061 0.92
64 AMO 0.651685 0.932432
65 PAJ 0.651685 0.884615
66 2A5 0.650602 0.918919
67 MAP 0.647727 0.945946
68 3AT 0.647059 0.971831
69 AHX 0.644444 0.896104
70 DLL 0.644444 0.931507
71 ATR 0.642857 0.971429
72 PAP 0.642857 0.985714
73 PTJ 0.641304 0.896104
74 7D3 0.6375 0.905405
75 3UK 0.637363 0.918919
76 SON 0.634146 0.932432
77 A4P 0.633663 0.843373
78 ALF ADP 0.632184 0.87013
79 ADP ALF 0.632184 0.87013
80 PR8 0.630435 0.85
81 WAQ 0.630435 0.883117
82 LAD 0.630435 0.860759
83 B5V 0.630435 0.906667
84 AFH 0.628866 0.884615
85 LMS 0.628205 0.82716
86 GAP 0.627907 0.893333
87 DTP 0.627907 0.905405
88 VO4 ADP 0.625 0.931507
89 ADP VO4 0.625 0.931507
90 TXA 0.623656 0.932432
91 ME8 0.623656 0.839506
92 1ZZ 0.623656 0.839506
93 NB8 0.623656 0.896104
94 FYA 0.623656 0.905405
95 DQV 0.622449 0.958333
96 T5A 0.621359 0.841463
97 ADN 0.619718 0.84507
98 RAB 0.619718 0.84507
99 XYA 0.619718 0.84507
100 DAL AMP 0.611111 0.905405
101 9SN 0.610526 0.871795
102 48N 0.61 0.896104
103 AP0 0.607843 0.896104
104 9ZD 0.604396 0.907895
105 9ZA 0.604396 0.907895
106 FA5 0.604167 0.906667
107 B5M 0.604167 0.894737
108 YAP 0.604167 0.894737
109 B5Y 0.604167 0.894737
110 NAI 0.60396 0.907895
111 6V0 0.60396 0.896104
112 TXD 0.60396 0.907895
113 DND 0.60396 0.932432
114 NXX 0.60396 0.932432
115 NAX 0.60396 0.873418
116 ADP BMA 0.602151 0.918919
117 A2R 0.6 0.985915
118 OMR 0.598039 0.851852
119 TXE 0.598039 0.907895
120 XAH 0.597938 0.839506
121 7DT 0.593023 0.985714
122 AOC 0.592593 0.821918
123 4UV 0.591837 0.894737
124 DDS 0.590909 0.878378
125 139 0.590476 0.873418
126 CNA 0.584906 0.932432
127 6AD 0.58427 0.909091
128 5AS 0.583333 0.77907
129 5N5 0.581081 0.819444
130 GA7 0.58 0.906667
131 4UU 0.58 0.894737
132 4TC 0.576923 0.896104
133 ADJ 0.575472 0.851852
134 5CD 0.573333 0.805556
135 A4D 0.573333 0.819444
136 RGT 0.571429 0.958904
137 A3P 0.571429 0.971429
138 7D5 0.56962 0.878378
139 LAQ 0.568627 0.839506
140 F2R 0.564815 0.864198
141 80F 0.563636 0.841463
142 YLP 0.563107 0.819277
143 A A 0.5625 0.944444
144 UPA 0.561905 0.907895
145 AV2 0.56044 0.917808
146 COD 0.559633 0.811765
147 4UW 0.557692 0.860759
148 JB6 0.556701 0.883117
149 3AM 0.555556 0.929577
150 ATP A A A 0.555556 0.930556
151 A2P 0.552941 0.957143
152 TYM 0.552381 0.906667
153 NA7 0.552083 0.958904
154 EP4 0.551282 0.753247
155 MYR AMP 0.55102 0.817073
156 PPS 0.549451 0.873418
157 YLC 0.54717 0.839506
158 YLB 0.54717 0.819277
159 NAD 0.545455 0.931507
160 DAT 0.545455 0.905405
161 TYR AMP 0.544554 0.87013
162 G5A 0.544444 0.77907
163 M2T 0.544304 0.734177
164 DTA 0.544304 0.786667
165 3DH 0.54321 0.773333
166 128 0.542857 0.776471
167 AHZ 0.538462 0.817073
168 GTP 0.537634 0.92
169 SSA 0.537634 0.8
170 MTA 0.5375 0.773333
171 IOT 0.537037 0.831325
172 A3D 0.535714 0.918919
173 ARG AMP 0.533981 0.829268
174 7MD 0.533981 0.8625
175 AR6 AR6 0.533981 0.917808
176 YLA 0.53211 0.819277
177 AMP DBH 0.529412 0.893333
178 IMO 0.529412 0.929577
179 TAD 0.528846 0.884615
180 AYB 0.527273 0.809524
181 A5A 0.526882 0.807229
182 HDV 0.526882 0.893333
183 TSB 0.526316 0.819277
184 EAD 0.525424 0.873418
185 2AM 0.52439 0.943662
186 6RE 0.52381 0.759494
187 7DD 0.522727 0.985714
188 V3L 0.521739 0.971831
189 AVV 0.520833 0.896104
190 BTX 0.517857 0.841463
191 NAE 0.517241 0.894737
192 52H 0.515789 0.77907
193 54H 0.515789 0.788235
194 VMS 0.515789 0.788235
195 NSS 0.515464 0.8
196 BT5 0.513274 0.831325
197 NAQ 0.512821 0.871795
198 ZAS 0.511905 0.766234
199 J7C 0.511628 0.769231
200 A3N 0.511628 0.786667
201 5X8 0.511111 0.763158
202 53H 0.510417 0.77907
203 8X1 0.510417 0.752809
204 5CA 0.510417 0.8
205 NVA LMS 0.510204 0.752809
206 ARU 0.510204 0.860759
207 AF3 ADP 3PG 0.509259 0.8375
208 ZID 0.508475 0.918919
209 P1H 0.508197 0.851852
210 OVE 0.505882 0.905405
211 S4M 0.505747 0.666667
212 LEU LMS 0.50505 0.752809
213 LPA AMP 0.504673 0.817073
214 7MC 0.504587 0.841463
215 DZD 0.5 0.884615
216 FB0 0.5 0.804598
217 MAO 0.5 0.759036
218 DSZ 0.5 0.8
219 LSS 0.5 0.761364
220 DSH 0.5 0.725
221 P5A 0.5 0.744444
222 NDE 0.495935 0.932432
223 N0B 0.495798 0.819277
224 M24 0.495726 0.85
225 YLY 0.495726 0.809524
226 NJP 0.495575 0.945946
227 9K8 0.49505 0.714286
228 MGP 0.494737 0.884615
229 6C6 0.494624 0.881579
230 NAJ PZO 0.491379 0.848101
231 0WD 0.491228 0.921053
232 6G0 0.489583 0.884615
233 GJV 0.488636 0.75
234 6FA 0.488189 0.841463
235 5AD 0.486842 0.746479
236 KAA 0.485149 0.752809
237 GSU 0.485149 0.77907
238 71V 0.483146 0.907895
239 NEC 0.482759 0.746667
240 A3G 0.482759 0.8
241 ODP 0.482456 0.909091
242 FAS 0.48062 0.851852
243 FAD 0.48062 0.851852
244 7D7 0.480519 0.743243
245 FDA 0.480315 0.833333
246 N6P 0.48 0.915493
247 2SA 0.479167 0.932432
248 GP3 0.478723 0.921053
249 4TA 0.478261 0.807229
250 SFG 0.478261 0.75
251 G A A A 0.478261 0.871795
252 AMP NAD 0.478261 0.905405
253 NPW 0.477876 0.886076
254 NDP 0.477876 0.921053
255 NDC 0.47619 0.871795
256 YSA 0.47619 0.77907
257 NAJ PYZ 0.475 0.807229
258 MGO 0.474227 0.860759
259 GDP 0.473684 0.92
260 NZQ 0.473684 0.909091
261 TXP 0.473684 0.921053
262 6IA 0.473684 0.8375
263 A7D 0.472527 0.776316
264 SFD 0.469231 0.734043
265 A5D 0.468085 0.786667
266 SA8 0.468085 0.707317
267 ZDA 0.468085 0.864865
268 12D 0.46789 0.785714
269 PGS 0.467391 0.883117
270 MHZ 0.467391 0.697674
271 8PZ 0.466667 0.8
272 62F 0.466165 0.8625
273 DA 0.465909 0.878378
274 D5M 0.465909 0.878378
275 GGZ 0.464646 0.825
276 SAH 0.463158 0.74359
277 SAI 0.463158 0.734177
278 FAY 0.462687 0.8625
279 Y3J 0.4625 0.726027
280 PO4 PO4 A A A A PO4 0.460784 0.902778
281 AAM 0.460674 0.971429
282 RFL 0.459259 0.821429
283 SMM 0.459184 0.686047
284 HF7 0.459184 0.893333
285 AMZ 0.458824 0.916667
286 C2R 0.458824 0.90411
287 SAM 0.458333 0.690476
288 A3S 0.456522 0.810811
289 FNK 0.455224 0.804598
290 U A 0.453782 0.907895
291 7C5 0.453704 0.818182
292 EEM 0.453608 0.690476
293 AAT 0.453608 0.707317
294 XNP 0.452991 0.873418
295 A G 0.452991 0.883117
296 PRT 0.45283 0.931507
297 AIR 0.451219 0.901408
298 62X 0.45098 0.666667
299 DCA 0.45 0.823529
300 ETB 0.45 0.833333
301 GSP 0.45 0.873418
302 U A G G 0.449153 0.883117
303 NIA 0.448276 0.822785
304 A3T 0.446809 0.821918
305 A A A 0.446602 0.905405
306 K15 0.446602 0.682353
307 PUA 0.446281 0.884615
308 6K6 0.445545 0.930556
309 GEK 0.445545 0.7375
310 4YB 0.445455 0.761364
311 S7M 0.444444 0.690476
312 Z5A 0.443548 0.77907
313 1DG 0.443548 0.921053
314 DG1 0.443548 0.921053
315 0T1 0.442623 0.823529
316 COA 0.442623 0.823529
317 WSA 0.442478 0.788235
318 8BR 0.43956 0.906667
319 8Q2 0.438596 0.772727
320 101 0.438202 0.878378
321 IDP 0.4375 0.918919
322 NVA 2AD 0.4375 0.759494
323 9JJ 0.435714 0.8625
324 NAP 0.435484 0.945205
325 APU 0.434783 0.894737
326 A U 0.434783 0.87013
327 7RP 0.433333 0.928571
328 A6D 0.432692 0.722892
329 AMX 0.432 0.833333
330 J7V 0.432 0.833333
331 TAP 0.432 0.907895
332 COS 0.432 0.804598
333 CAO 0.432 0.795455
334 30N 0.432 0.752688
335 V1N 0.431193 0.917808
336 649 0.429825 0.744444
337 P5F 0.429577 0.823529
338 NA0 0.428571 0.932432
339 SCO 0.428571 0.823529
340 CMX 0.428571 0.823529
341 7RA 0.428571 0.957747
342 0UM 0.427184 0.698795
343 GAV 0.427184 0.884615
344 QQY 0.426966 0.815789
345 1RB 0.426966 0.885714
346 ACK 0.426966 0.861111
347 G1R 0.425743 0.907895
348 GCP 0.425743 0.896104
349 FAM 0.425197 0.804598
350 FCX 0.425197 0.795455
351 ACO 0.425197 0.795455
352 GNH 0.424242 0.907895
353 F2N 0.423611 0.813953
354 GKE 0.422018 0.884615
355 GDD 0.422018 0.884615
356 GDC 0.422018 0.884615
357 HAX 0.421875 0.804598
358 3AD 0.421687 0.805556
359 9GM 0.421569 0.896104
360 GNP 0.421569 0.896104
361 FA9 0.42069 0.864198
362 TM1 0.420561 0.77381
363 KB1 0.420561 0.698795
364 H6Y 0.42 0.945205
365 2MC 0.419847 0.769231
366 3KK 0.418605 0.804598
367 FYN 0.418605 0.823529
368 S8M 0.417476 0.759494
369 7L1 0.417323 0.795455
370 2VA 0.416667 0.8
371 26A 0.416667 0.763158
372 NHD 0.416667 0.905405
373 QQX 0.41573 0.805195
374 CA6 0.415385 0.729167
375 OXK 0.415385 0.804598
376 COK 0.415385 0.804598
377 SOP 0.415385 0.804598
378 MCD 0.415385 0.804598
379 YE1 0.413534 0.813953
380 RMB 0.413043 0.873239
381 FAI 0.413043 0.916667
382 AS 0.413043 0.833333
383 CO6 0.412214 0.804598
384 1VU 0.412214 0.795455
385 CMC 0.412214 0.804598
386 NMX 0.412214 0.76087
387 SXZ 0.411215 0.710843
388 ANZ 0.410714 0.8
389 SCA 0.410448 0.804598
390 CAJ 0.409091 0.804598
391 SCD 0.409091 0.823529
392 EO7 0.408602 0.788235
393 D3Y 0.407767 0.789474
394 CC5 0.407407 0.816901
395 KH3 0.40708 0.674419
396 A C A C 0.406504 0.848101
397 SLU 0.406504 0.770115
398 G 0.40625 0.906667
399 5GP 0.40625 0.906667
400 A1S 0.406015 0.804598
401 IVC 0.406015 0.813953
402 MLC 0.406015 0.804598
403 3HC 0.406015 0.813953
404 1HE 0.406015 0.786517
405 BCO 0.406015 0.804598
406 GTG 0.405405 0.886076
407 NMN AMP PO4 0.404959 0.87013
408 3D1 0.404762 0.773333
409 3L1 0.404762 0.773333
410 2BA 0.404255 0.915493
411 CMP 0.404255 0.901408
412 VRT 0.40404 0.769231
413 SO8 0.40404 0.789474
414 MCA 0.402985 0.795455
415 COO 0.402985 0.804598
416 CAA 0.402985 0.813953
417 3NZ 0.401869 0.782051
418 G2R 0.401869 0.884615
419 ZZB 0.4 0.77381
420 2FA 0.4 0.813333
421 MC4 0.4 0.76087
422 2CP 0.4 0.795455
Ligand no: 3; Ligand: 8QN; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 8QN 1 1
2 5AL 0.841463 1
3 SRP 0.77907 0.945946
4 PAJ 0.764045 0.922078
5 CA0 0.746988 0.958904
6 AMO 0.744444 0.945946
7 PTJ 0.731183 0.934211
8 ME8 0.731183 0.898734
9 4AD 0.725275 0.933333
10 LAD 0.72043 0.897436
11 NB8 0.712766 0.909091
12 TXA 0.712766 0.972603
13 BA3 0.710843 0.931507
14 A2D 0.707317 0.931507
15 B4P 0.702381 0.931507
16 AP5 0.702381 0.931507
17 AN2 0.694118 0.918919
18 YAP 0.690722 0.933333
19 FA5 0.690722 0.945946
20 M33 0.686047 0.945205
21 ADP 0.682353 0.931507
22 AT4 0.674419 0.894737
23 AMP 0.670732 0.930556
24 A 0.670732 0.930556
25 PRX 0.670455 0.906667
26 5FA 0.670455 0.931507
27 AQP 0.670455 0.931507
28 ADX 0.666667 0.839506
29 ABM 0.666667 0.931507
30 DLL 0.663158 0.972222
31 YLP 0.660194 0.876543
32 OOB 0.659574 0.972222
33 50T 0.659091 0.893333
34 ATP 0.659091 0.931507
35 HEJ 0.659091 0.931507
36 ACP 0.659091 0.906667
37 APR 0.651685 0.958333
38 AR6 0.651685 0.958333
39 DAL AMP 0.648936 0.972222
40 AHX 0.645833 0.884615
41 00A 0.645833 0.921053
42 AD9 0.644444 0.906667
43 AGS 0.644444 0.883117
44 SAP 0.644444 0.883117
45 1ZZ 0.642857 0.898734
46 9ZA 0.642105 0.946667
47 9ZD 0.642105 0.946667
48 YLC 0.641509 0.898734
49 YLB 0.641509 0.876543
50 3UK 0.639175 0.958904
51 PR8 0.632653 0.886076
52 WAQ 0.632653 0.921053
53 B5V 0.632653 0.945946
54 A12 0.632184 0.894737
55 AP2 0.632184 0.894737
56 TYM 0.632075 0.945946
57 TSB 0.631579 0.831325
58 ANP 0.630435 0.906667
59 ACQ 0.630435 0.906667
60 B5M 0.623762 0.959459
61 B5Y 0.623762 0.959459
62 SRA 0.623529 0.881579
63 OAD 0.622449 0.986111
64 A1R 0.618557 0.871795
65 AYB 0.618182 0.865854
66 ATF 0.617021 0.894737
67 9SN 0.613861 0.909091
68 48N 0.613208 0.934211
69 GAP 0.612903 0.932432
70 4UV 0.61165 0.933333
71 AU1 0.611111 0.906667
72 6YZ 0.610526 0.906667
73 3OD 0.61 0.986111
74 YLA 0.609091 0.853659
75 5SV 0.608247 0.860759
76 9X8 0.606061 0.933333
77 A3R 0.602041 0.871795
78 XAH 0.601942 0.851852
79 4UU 0.6 0.933333
80 SON 0.6 0.945946
81 A22 0.597938 0.918919
82 APC 0.597826 0.894737
83 T99 0.595745 0.894737
84 TAT 0.595745 0.894737
85 FYA 0.594059 0.893333
86 25A 0.591837 0.931507
87 RBY 0.591398 0.92
88 ADV 0.591398 0.92
89 LAQ 0.588785 0.875
90 ADQ 0.585859 0.932432
91 GA7 0.584906 0.894737
92 YLY 0.581197 0.865854
93 4UW 0.577982 0.922078
94 LMS 0.574713 0.817073
95 ADP PO3 0.574468 0.930556
96 54H 0.571429 0.821429
97 VMS 0.571429 0.821429
98 AP0 0.567568 0.884615
99 A5A 0.56701 0.841463
100 DQV 0.564815 0.945205
101 BIS 0.563107 0.871795
102 G3A 0.560748 0.884615
103 MYR AMP 0.557692 0.875
104 25L 0.557692 0.918919
105 IOT 0.557522 0.843373
106 AFH 0.555556 0.873418
107 G5P 0.555556 0.884615
108 N0B 0.553719 0.853659
109 TYR AMP 0.551402 0.907895
110 ALF ADP 0.55102 0.858974
111 ADP ALF 0.55102 0.858974
112 GTA 0.550459 0.875
113 MAP 0.55 0.883117
114 TXD 0.54955 0.896104
115 NAI 0.54955 0.896104
116 VO4 ADP 0.545455 0.918919
117 ADP VO4 0.545455 0.918919
118 TXE 0.544643 0.896104
119 OMR 0.544643 0.8875
120 F2R 0.543103 0.853659
121 ARG AMP 0.541284 0.841463
122 52H 0.54 0.811765
123 LSS 0.539216 0.793103
124 COD 0.538462 0.823529
125 5AS 0.537634 0.790698
126 A3T 0.536842 0.835616
127 TAD 0.536364 0.873418
128 NAX 0.535714 0.8625
129 6V0 0.535714 0.884615
130 DND 0.535714 0.945946
131 NXX 0.535714 0.945946
132 5CA 0.534653 0.790698
133 53H 0.534653 0.811765
134 BT5 0.533898 0.843373
135 JB6 0.533333 0.871795
136 2A5 0.53125 0.857143
137 SSA 0.53 0.790698
138 80F 0.529412 0.853659
139 AOC 0.527473 0.810811
140 7MD 0.527273 0.875
141 T5A 0.525862 0.853659
142 XYA 0.52439 0.808219
143 ADN 0.52439 0.808219
144 RAB 0.52439 0.808219
145 5CD 0.52381 0.794521
146 AMP DBH 0.522936 0.881579
147 UP5 0.522124 0.907895
148 CNA 0.521368 0.92
149 5X8 0.520833 0.8
150 G5A 0.520408 0.790698
151 AF3 ADP 3PG 0.517544 0.873418
152 DTA 0.517241 0.776316
153 3DH 0.516854 0.786667
154 A3D 0.516667 0.958904
155 M24 0.516393 0.886076
156 LEU LMS 0.514286 0.784091
157 ADP BMA 0.514286 0.906667
158 LPA AMP 0.513274 0.851852
159 ADJ 0.512821 0.841463
160 5N5 0.511905 0.783784
161 MTA 0.511364 0.786667
162 DSZ 0.509615 0.811765
163 A A 0.509434 0.905405
164 A4P 0.508621 0.811765
165 NAQ 0.508065 0.909091
166 A4D 0.505882 0.783784
167 EP4 0.505747 0.766234
168 7D5 0.505618 0.842105
169 NVA LMS 0.504762 0.784091
170 9K8 0.504673 0.764045
171 AHZ 0.504425 0.875
172 NAD 0.5 0.945205
173 7D3 0.5 0.844156
174 4TC 0.5 0.884615
175 M2T 0.5 0.746835
176 SMM 0.5 0.738095
177 UPA 0.5 0.896104
178 7MC 0.5 0.876543
179 GSU 0.495327 0.811765
180 KAA 0.495327 0.764045
181 NSS 0.495238 0.790698
182 EEM 0.49505 0.743902
183 PAP 0.494949 0.917808
184 SA8 0.494949 0.7625
185 ATR 0.494949 0.90411
186 7D4 0.494845 0.844156
187 A3P 0.494737 0.930556
188 ATP A A A 0.490909 0.917808
189 8X1 0.490385 0.764045
190 SAH 0.49 0.779221
191 SFG 0.489796 0.786667
192 NAE 0.488 0.933333
193 BTX 0.487603 0.831325
194 139 0.487395 0.8625
195 YSA 0.486486 0.790698
196 SAM 0.485149 0.743902
197 FB0 0.484848 0.795455
198 EAD 0.484375 0.886076
199 6RE 0.483871 0.728395
200 P5A 0.481481 0.755556
201 A2R 0.480769 0.945205
202 PPS 0.480392 0.817073
203 6AD 0.480392 0.873418
204 ITT 0.479592 0.878378
205 A2P 0.479167 0.916667
206 3AM 0.478261 0.890411
207 8PZ 0.477477 0.790698
208 ARU 0.476636 0.82716
209 NAJ PZO 0.475806 0.860759
210 SAI 0.475248 0.769231
211 J7C 0.473684 0.7375
212 AR6 AR6 0.473684 0.931507
213 ZAS 0.473118 0.75641
214 DZD 0.471545 0.873418
215 S7M 0.471154 0.743902
216 NDE 0.469697 0.92
217 P1H 0.469697 0.864198
218 A7D 0.469388 0.766234
219 ZID 0.46875 0.932432
220 S4M 0.46875 0.678161
221 MAO 0.463918 0.771084
222 AMP NAD 0.463415 0.945205
223 DSH 0.463158 0.716049
224 NAJ PYZ 0.460938 0.819277
225 HFD 0.460784 0.883117
226 2VA 0.46 0.813333
227 IMO 0.458333 0.890411
228 A3N 0.458333 0.753247
229 GEK 0.457944 0.772152
230 FAD 0.456522 0.864198
231 FAS 0.456522 0.864198
232 3AT 0.456311 0.905405
233 V3L 0.456311 0.958333
234 6IA 0.456311 0.82716
235 A3S 0.454545 0.8
236 FNK 0.453901 0.795455
237 WSA 0.453782 0.8
238 0UM 0.453704 0.753086
239 GJV 0.453608 0.719512
240 2AM 0.451613 0.878378
241 A5D 0.45098 0.776316
242 SXZ 0.45045 0.765432
243 62X 0.449541 0.717647
244 NEC 0.447917 0.76
245 A3G 0.447917 0.789474
246 2SA 0.447619 0.92
247 5AD 0.447059 0.760563
248 SO8 0.446602 0.802632
249 SFD 0.446043 0.744681
250 NA7 0.445455 0.894737
251 K15 0.445455 0.73494
252 FDA 0.445255 0.823529
253 6FA 0.442029 0.853659
254 NDC 0.441176 0.884615
255 0WD 0.44 0.884615
256 G A A A 0.44 0.860759
257 4TA 0.44 0.841463
258 7C5 0.439655 0.831169
259 AAT 0.438095 0.698795
260 8Q2 0.438017 0.764045
261 OVE 0.4375 0.844156
262 NVA 2AD 0.436893 0.772152
263 PGS 0.435644 0.825
264 MHZ 0.435644 0.709302
265 AV2 0.433962 0.855263
266 VRT 0.432692 0.782051
267 6C6 0.432692 0.846154
268 4YB 0.432203 0.793103
269 NJP 0.432 0.907895
270 DAT 0.431373 0.844156
271 AVV 0.431193 0.860759
272 FAY 0.430556 0.875
273 P5F 0.42953 0.835294
274 DTP 0.428571 0.844156
275 A G 0.428571 0.871795
276 RFL 0.427586 0.833333
277 NDP 0.427419 0.884615
278 Y3J 0.426966 0.716216
279 ETB 0.426357 0.823529
280 DCA 0.426357 0.813953
281 AMZ 0.425532 0.878378
282 C2R 0.425532 0.891892
283 7D7 0.425287 0.733333
284 U A G G 0.425197 0.871795
285 TXP 0.424 0.884615
286 NZQ 0.424 0.873418
287 62F 0.423611 0.851852
288 GGZ 0.422018 0.792683
289 FA9 0.421053 0.853659
290 KB1 0.421053 0.731707
291 ODP 0.420635 0.873418
292 71V 0.42 0.848101
293 COA 0.419847 0.813953
294 0T1 0.419847 0.813953
295 A6D 0.419643 0.714286
296 U A 0.418605 0.896104
297 S8M 0.418182 0.75
298 649 0.418033 0.755556
299 NPW 0.416 0.851852
300 3NZ 0.415929 0.794872
301 F2N 0.414474 0.804598
302 N6P 0.410714 0.876712
303 30N 0.410448 0.744681
304 AMX 0.410448 0.823529
305 Z5A 0.410448 0.811765
306 COS 0.410448 0.795455
307 CAO 0.410448 0.786517
308 D3Y 0.409091 0.779221
309 KH3 0.408333 0.72619
310 CMX 0.407407 0.835294
311 SCO 0.407407 0.835294
312 NA0 0.407407 0.945946
313 PO4 PO4 A A A A PO4 0.40708 0.890411
314 A A A 0.40708 0.893333
315 9JJ 0.406667 0.851852
316 MCD 0.405797 0.816092
317 CA6 0.405797 0.721649
318 6K6 0.405405 0.891892
319 FCX 0.404412 0.806818
320 ACO 0.404412 0.786517
321 FAM 0.404412 0.795455
322 DA 0.40404 0.842105
323 D5M 0.40404 0.842105
324 CO6 0.402878 0.795455
325 26A 0.402174 0.753247
326 NIA 0.402062 0.790123
327 DDS 0.401869 0.818182
328 HAX 0.40146 0.795455
329 FAI 0.4 0.878378
330 2MC 0.4 0.76087
331 FAD NBT 0.4 0.741935
332 AAM 0.4 0.930556
333 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: 101
This union binding pocket(no: 1) in the query (biounit: 5n9x.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5L2R MLA 1.13422
2 1JG9 GLC 1.51229
3 1A5Z FBP 1.5674
4 1GPM AMP 1.71429
5 6ACS CIT 1.93798
6 2W5P CL8 2.01342
7 3TK1 GDP 2.42424
8 3CBC DBS 2.52525
9 1YFS ALA 2.58065
10 1MJT ITU 2.59366
11 4GN8 ASO 2.67559
12 2JK0 ASP 2.76923
13 2BOS GLA GAL 2.94118
14 2BOS GLA GAL GLC 2.94118
15 1J2Z SOG 2.96296
16 5KJW 53C 3.0445
17 2AWN ADP 3.14961
18 1XF1 CIT 3.21361
19 5WXU FLC 3.34029
20 1C1X HFA 3.38028
21 6BSW UDP 3.5503
22 4OEV OXL 3.64372
23 2B1Q TRE 3.68852
24 4XWM CBI 3.96975
25 2J5V RGP 4.08719
26 1RJW ETF 4.12979
27 5KOD AMP 4.15879
28 4OKE AMP 4.16667
29 3SJK LYS PRO VAL LEU ARG THR ALA 4.21053
30 1WLJ U5P 4.2328
31 2Z3U CRR 4.47059
32 2VAR AMP 4.79233
33 1QKQ MAN 4.92958
34 3G6N MET ALA SER 5.2356
35 3R75 PYR 5.29301
36 4URS C2E 5.31915
37 1H8P PC 5.50459
38 1I7Q PYR 5.69948
39 4FE2 ADP 5.88235
40 2WCU FUC 6.04027
41 4EPM AMP 6.42722
42 5M6N 7H9 6.77966
43 3T01 PPF 6.79157
44 1LTT GAL BGC 6.79612
45 3QDV NDG 6.99301
46 1C3X 8IG 7.14286
47 1O9W NAG 8.47458
48 5WHT SIA 9.42029
49 3LGS ADE 10.1124
50 3HCH RSM 10.274
51 5OCG 9R5 12.6984
52 1NME 159 13.0137
53 4URG C2E 13.7725
54 6FA4 D1W 13.8728
55 6FX2 FUC C4W NAG BMA MAN NAG GAL 13.9535
56 5AN1 GSH 14.6119
57 1B4P GPS 15.6682
58 2Y4O DLL 16.7043
59 5F90 GLA GAL BGC 5VQ 19.2308
60 5F90 GLA GAL 19.2308
61 5F90 LMR 19.2308
62 5MST AMP 23.8185
63 5MST FUM 23.8185
64 2D1S SLU 25.1418
65 5BSR COA 25.3308
66 5BSR AMP 25.3308
67 3IES M24 25.3308
68 5MSD AMP 26.276
69 5MSD BEZ 26.276
70 5HM3 649 26.276
71 5EY9 5SV 27.0321
72 5D6J ATP 33.7838
73 3KXW 1ZZ 35.3497
74 3C5E ATP 37.6181
75 4RLQ 3SK 37.7649
76 5OE4 3UK 39.0663
77 3E7W AMP 39.5303
78 1V25 ANP 39.6975
79 3O84 HTJ 39.6975
80 5C5H 4YB 40.3974
81 1MDB AMP DBH 40.4537
82 1RY2 AMP 41.0208
83 4GXQ ATP 41.1067
84 4FUT ATP 41.3519
85 1PG4 PRX 41.5879
86 1PG4 COA 41.5879
87 5IE3 OXD 42.607
88 5IE3 AMP 42.607
89 4OXI GAP 43.8563
90 5X8G S0N 43.9175
91 3NYQ MCA 44.5545
92 3NYQ AMP 44.5545
93 4DG8 AMP 44.6125
94 5WM2 SAL 44.6125
95 5WM2 AMP 44.6125
96 3CW9 AMP 44.8413
97 3CW9 01A 44.8413
98 3DHV DAL AMP 45.5078
99 5N81 8Q2 46.37
100 1AMU AMP 48.0151
101 4GR5 APC 48.7713
Pocket No.: 2; Query (leader) PDB : 5N9X; Ligand: ATP; Similar sites found with APoc: 76
This union binding pocket(no: 2) in the query (biounit: 5n9x.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 1A5Z FBP 1.5674
2 1KKR 2AS 1.93705
3 3PA8 621 1.9685
4 1H3F TYE 2.31481
5 3TY3 GGG 2.45902
6 1MJT NAD 2.59366
7 1WPQ 13P 2.86533
8 5WXU FLC 3.34029
9 2XCU C5P 3.40265
10 4OEV OXL 3.64372
11 2B1Q TRE 3.68852
12 2J5V RGP 4.08719
13 1RJW ETF 4.12979
14 5KOD AMP 4.15879
15 4OKE AMP 4.16667
16 1XFF GLU 4.16667
17 1WLJ U5P 4.2328
18 2Z3U CRR 4.47059
19 1PDZ PGA 5.29954
20 4URS C2E 5.31915
21 1H8P PC 5.50459
22 3CT5 NAG NAG NAG 5.66038
23 4FGC PQ0 6.06061
24 4EPM AMP 6.42722
25 3T01 PPF 6.79157
26 3BNK FMN 7.65306
27 1O9W NAG 8.47458
28 5AN1 GSH 14.6119
29 1B4P GPS 15.6682
30 2Y4O DLL 16.7043
31 1LOJ URI 17.2414
32 1LOJ U 17.2414
33 1USF NAP 17.9775
34 5F90 GLA GAL BGC 5VQ 19.2308
35 5F90 GLA GAL 19.2308
36 5F90 LMR 19.2308
37 5MST AMP 23.8185
38 5MST FUM 23.8185
39 2D1S SLU 25.1418
40 5BSR COA 25.3308
41 3IES M24 25.3308
42 5BSR AMP 25.3308
43 5MSD AMP 26.276
44 5MSD BEZ 26.276
45 5HM3 649 26.276
46 5EY9 5SV 27.0321
47 5D6J ATP 33.7838
48 3KXW 1ZZ 35.3497
49 3C5E ATP 37.6181
50 4RLQ 3SK 37.7649
51 5OE4 3UK 39.0663
52 3E7W AMP 39.5303
53 1V25 ANP 39.6975
54 3O84 HTJ 39.6975
55 5C5H 4YB 40.3974
56 1MDB AMP DBH 40.4537
57 1RY2 AMP 41.0208
58 4GXQ ATP 41.1067
59 4FUT ATP 41.3519
60 1PG4 PRX 41.5879
61 1PG4 COA 41.5879
62 5IE3 OXD 42.607
63 5IE3 AMP 42.607
64 4OXI GAP 43.8563
65 5X8G S0N 43.9175
66 3NYQ MCA 44.5545
67 3NYQ AMP 44.5545
68 4DG8 AMP 44.6125
69 5WM2 SAL 44.6125
70 5WM2 AMP 44.6125
71 3CW9 AMP 44.8413
72 3CW9 01A 44.8413
73 3DHV DAL AMP 45.5078
74 5N81 8Q2 46.37
75 1AMU AMP 48.0151
76 4GR5 APC 48.7713
Pocket No.: 3; Query (leader) PDB : 5N9X; Ligand: THR; Similar sites found with APoc: 165
This union binding pocket(no: 3) in the query (biounit: 5n9x.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZK7 FAD 1.07066
2 1RO7 CSF 1.1583
3 3NC9 TR3 1.27796
4 4DV8 0LX 1.3308
5 5KOR GDP 1.34357
6 5VN0 FAD 1.35135
7 2WQQ CSF 1.37457
8 2ZGY GDP 1.5625
9 5TTJ FAD 1.63265
10 3ZLB ANP 1.75879
11 1Z45 NAD 1.89036
12 3QF7 ANP 1.91781
13 2IRY DGT 1.9802
14 1KGZ PRP 2.02899
15 1P9B GDP 2.0362
16 5Z99 SLB 2.06186
17 3WQT ANP 2.06612
18 2C91 NAP 2.07101
19 5Y9D FAD 2.0794
20 2Q8Z NUP 2.0794
21 4L1F FAD 2.08877
22 3NKS ACJ 2.09644
23 2X1L ADN 2.09924
24 3JYN NDP 2.15385
25 1PNO NAP 2.22222
26 3FG2 FAD 2.22772
27 4I2D APC 2.25
28 6GEW SFG 2.43902
29 6GEW SAH 2.43902
30 2Q7V FAD 2.46154
31 5N0O SAM 2.51256
32 5AR0 GB8 2.53807
33 3PFD FDA 2.54453
34 3KJD 78P 2.71739
35 1EGD FAD 2.77778
36 1WPY BTN 2.97872
37 2DXU BT5 2.97872
38 1RX0 FAD 3.05344
39 1LVL FAD 3.05677
40 1GVE NAP 3.0581
41 5ZBC FAD 3.10421
42 2QXL ATP 3.21361
43 1Q7B NAP 3.27869
44 5L4L NAP 3.28947
45 6CEP NAD 3.29341
46 6CEP OXM 3.29341
47 3FUU ADN 3.32103
48 3CGB FAD 3.33333
49 1C3M MAN MAN 3.40136
50 6GNF ADP 3.40265
51 2DPM SAM 3.52113
52 1XDY MTE 3.69128
53 1XXR MAN 3.72671
54 2GQT FAD 3.73134
55 5EOU ATP 3.76344
56 6AM8 PLT 3.78788
57 2IV3 UDP 3.80117
58 1JQI FAD 3.86598
59 1ZK4 AC0 3.98406
60 4XTX 590 4.07407
61 4PQG UDP 4.30528
62 1WY7 SAH 4.34783
63 2HK9 NAP 4.36364
64 1PVN MZP 4.52128
65 1U1I NAD 4.59184
66 6ES9 FAD 4.7259
67 1TRD PGH 4.8
68 2C6Q NDP 4.8433
69 2C6Q IMP 4.8433
70 4OM8 NAD 4.85437
71 5WZU 7W3 4.87805
72 1O6Z NAD 4.9505
73 5FA8 SAM 4.96894
74 1J1R ADE 4.98084
75 1UDY CS8 5.05051
76 1UDY FAD 5.05051
77 3C8Z 5CA 5.07246
78 4RF2 NAP 5.14706
79 3AYI FAD 5.29301
80 3AYI HCI 5.29301
81 5JXZ ISJ 5.37084
82 5JXZ ISC 5.37084
83 6CI9 NAP 5.40541
84 1LQA NDP 5.49133
85 3C9U ADP 5.55556
86 3C9U TPP 5.55556
87 3A4T SFG 5.83942
88 4JNE ATP 6.04915
89 3EYA TDP 6.04915
90 6FLZ MMA 6.25
91 2OFW ADX 6.25
92 4JTA NAP 6.30631
93 3EAU PDN 6.42202
94 3EAU NDP 6.42202
95 2OHH FMN 6.43564
96 1FFU FAD 6.74847
97 4HZO COA 6.91824
98 5A1S FLC 7.14286
99 1S8F GDP 7.34463
100 1U8V FAD 7.34694
101 1CS4 GSP 7.61421
102 5M45 AMP 7.7381
103 4PVR ASP 7.74194
104 5XNC MTA 7.81671
105 2PHN GDP 8.26772
106 5YGE GLU 8.62069
107 5N6C NAD 8.66667
108 3VPH NAD 9.03226
109 3VPH OXM 9.03226
110 1HXD BTN 9.03427
111 4EPL JAI 9.26276
112 1SJN DUP 9.41177
113 2FR3 REA 9.48905
114 3ORF NAD 9.56175
115 3ZLQ 6T9 9.83607
116 5TDF 7A3 9.87654
117 5L95 AMP 10
118 1UPT GTP 10
119 6BVE PGA 10.2041
120 5X68 FAD 10.2302
121 1UYY BGC BGC 10.687
122 5HQ0 LZ9 10.7143
123 1LSS NAD 11.4286
124 5ODQ 9SB 12.3711
125 1U3G THF 13.2275
126 5ZI2 NAD 14.7826
127 5ZI2 ADP 14.7826
128 2Y4O DLL 16.7043
129 1EXB NDP 21.3592
130 5MST FUM 23.8185
131 5MST AMP 23.8185
132 2D1S SLU 25.1418
133 3IES M24 25.3308
134 5BSR COA 25.3308
135 5BSR AMP 25.3308
136 5HM3 649 26.276
137 5MSD BEZ 26.276
138 5EY9 5SV 27.0321
139 3KXW 1ZZ 35.3497
140 3C5E ATP 37.6181
141 4RLQ 3SK 37.7649
142 5OE4 3UK 39.0663
143 2V7B BEZ 39.5085
144 3E7W AMP 39.5303
145 1V25 ANP 39.6975
146 3O84 HTJ 39.6975
147 5C5H 4YB 40.3974
148 1MDB AMP DBH 40.4537
149 4GXQ ATP 41.1067
150 4FUT ATP 41.3519
151 1PG4 COA 41.5879
152 1PG4 PRX 41.5879
153 5IE3 AMP 42.607
154 5IE3 OXD 42.607
155 4OXI GAP 43.8563
156 5X8G S0N 43.9175
157 3NYQ MCA 44.5545
158 3NYQ AMP 44.5545
159 5WM2 SAL 44.6125
160 5WM2 AMP 44.6125
161 4DG8 AMP 44.6125
162 3CW9 01A 44.8413
163 3DHV DAL AMP 45.5078
164 5N81 8Q2 46.37
165 1AMU AMP 48.0151
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