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 1256 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 1068 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 922 families.
1 5N9X - THR C4 H9 N O3 C[C@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: THR; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 THR 1 1
2 VAL 0.65 0.714286
3 DAL 0.578947 0.789474
4 ALA 0.578947 0.789474
5 VAH 0.541667 0.76
6 ILE 0.541667 0.6
7 HGY 0.526316 0.625
8 AHB 0.5 0.6
9 ABA 0.434783 0.625
10 DBB 0.434783 0.625
11 LFC 0.407407 0.619048
Ligand no: 2; Ligand: ATP; Similar ligands found: 404
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 SAP 0.84 0.945946
10 AGS 0.84 0.945946
11 AN2 0.810811 0.985915
12 25L 0.809524 0.985915
13 APR 0.802632 0.971831
14 AR6 0.802632 0.971831
15 M33 0.8 0.958333
16 TAT 0.794872 0.958904
17 ACQ 0.794872 0.972222
18 AD9 0.792208 0.972222
19 ACP 0.789474 0.972222
20 A 0.788732 0.971429
21 AMP 0.788732 0.971429
22 ANP 0.772152 0.972222
23 ADX 0.753247 0.873418
24 CA0 0.753247 0.945205
25 A22 0.746988 0.985915
26 50T 0.74359 0.958333
27 APC 0.734177 0.958904
28 PRX 0.734177 0.893333
29 ABM 0.733333 0.917808
30 ATF 0.731707 0.958904
31 ITT 0.730769 0.943662
32 7D4 0.730769 0.905405
33 ADQ 0.729412 0.945205
34 AMP MG 0.72 0.891892
35 AP2 0.714286 0.958904
36 A12 0.714286 0.958904
37 A1R 0.709302 0.907895
38 SRA 0.706667 0.918919
39 5AL 0.698795 0.931507
40 OAD 0.693182 0.945205
41 ADP MG 0.6875 0.905405
42 AU1 0.6875 0.972222
43 SRP 0.682353 0.906667
44 G5P 0.680851 0.921053
45 BEF ADP 0.679012 0.881579
46 ADP BEF 0.679012 0.881579
47 25A 0.678161 0.971831
48 3OD 0.677778 0.945205
49 4AD 0.670455 0.92
50 G3A 0.670213 0.921053
51 00A 0.662921 0.883117
52 ADV 0.662651 0.932432
53 ADP PO3 0.662651 0.943662
54 RBY 0.662651 0.932432
55 BIS 0.659341 0.933333
56 5SV 0.659091 0.848101
57 8QN 0.659091 0.931507
58 OOB 0.659091 0.931507
59 GTA 0.65625 0.886076
60 ATP MG 0.654762 0.905405
61 UP5 0.653061 0.92
62 AMO 0.651685 0.932432
63 PAJ 0.651685 0.884615
64 2A5 0.650602 0.918919
65 MAP 0.647727 0.945946
66 3AT 0.647059 0.971831
67 AHX 0.644444 0.896104
68 DLL 0.644444 0.931507
69 PAP 0.642857 0.985714
70 ATR 0.642857 0.971429
71 PTJ 0.641304 0.896104
72 7D3 0.6375 0.905405
73 3UK 0.637363 0.918919
74 SON 0.634146 0.932432
75 A4P 0.633663 0.843373
76 ALF ADP 0.632184 0.87013
77 ADP ALF 0.632184 0.87013
78 LAD 0.630435 0.860759
79 WAQ 0.630435 0.883117
80 PR8 0.630435 0.85
81 AFH 0.628866 0.884615
82 DTP 0.627907 0.905405
83 GAP 0.627907 0.893333
84 ANP MG 0.625 0.894737
85 VO4 ADP 0.625 0.931507
86 ADP VO4 0.625 0.931507
87 1ZZ 0.623656 0.839506
88 TXA 0.623656 0.932432
89 FYA 0.623656 0.905405
90 ME8 0.623656 0.839506
91 NB8 0.623656 0.896104
92 T5A 0.621359 0.841463
93 RAB 0.619718 0.84507
94 ADN 0.619718 0.84507
95 XYA 0.619718 0.84507
96 9SN 0.610526 0.871795
97 48N 0.61 0.896104
98 AP0 0.607843 0.896104
99 FA5 0.604167 0.906667
100 YAP 0.604167 0.894737
101 TXD 0.60396 0.907895
102 6V0 0.60396 0.896104
103 NXX 0.60396 0.932432
104 NAI 0.60396 0.907895
105 DND 0.60396 0.932432
106 NAX 0.60396 0.873418
107 ADP BMA 0.602151 0.918919
108 A2R 0.6 0.985915
109 OMR 0.598039 0.851852
110 TXE 0.598039 0.907895
111 XAH 0.597938 0.839506
112 DAL AMP 0.593407 0.905405
113 7DT 0.593023 0.985714
114 AOC 0.592593 0.821918
115 4UV 0.591837 0.894737
116 DDS 0.590909 0.878378
117 139 0.590476 0.873418
118 CNA 0.584906 0.932432
119 6AD 0.58427 0.909091
120 5AS 0.583333 0.77907
121 5N5 0.581081 0.819444
122 4UU 0.58 0.894737
123 4TC 0.576923 0.896104
124 ADJ 0.575472 0.851852
125 5CD 0.573333 0.805556
126 A4D 0.573333 0.819444
127 RGT 0.571429 0.958904
128 A3P 0.571429 0.971429
129 7D5 0.56962 0.878378
130 LAQ 0.568627 0.839506
131 YLP 0.563107 0.819277
132 A A 0.5625 0.944444
133 UPA 0.561905 0.907895
134 AV2 0.56044 0.917808
135 COD 0.559633 0.811765
136 4UW 0.557692 0.860759
137 JB6 0.556701 0.883117
138 3AM 0.555556 0.929577
139 ATP A A A 0.555556 0.930556
140 A2P 0.552941 0.957143
141 TYM 0.552381 0.906667
142 NA7 0.552083 0.958904
143 EP4 0.551282 0.753247
144 MYR AMP 0.55102 0.817073
145 PPS 0.549451 0.873418
146 YLB 0.54717 0.819277
147 YLC 0.54717 0.839506
148 NAD 0.545455 0.931507
149 DAT 0.545455 0.905405
150 G5A 0.544444 0.77907
151 M2T 0.544304 0.734177
152 DTA 0.544304 0.786667
153 3DH 0.54321 0.773333
154 128 0.542857 0.776471
155 AHZ 0.538462 0.817073
156 SSA 0.537634 0.8
157 GTP 0.537634 0.92
158 MTA 0.5375 0.773333
159 IOT 0.537037 0.831325
160 A3D 0.535714 0.918919
161 TYR AMP 0.534653 0.881579
162 AR6 AR6 0.533981 0.917808
163 7MD 0.533981 0.8625
164 YLA 0.53211 0.819277
165 AMP DBH 0.529412 0.893333
166 IMO 0.529412 0.929577
167 TAD 0.528846 0.884615
168 AYB 0.527273 0.809524
169 A5A 0.526882 0.807229
170 TSB 0.526316 0.819277
171 EAD 0.525424 0.873418
172 2AM 0.52439 0.943662
173 6RE 0.52381 0.759494
174 7DD 0.522727 0.985714
175 V3L 0.521739 0.971831
176 AVV 0.520833 0.896104
177 BTX 0.517857 0.841463
178 NAE 0.517241 0.894737
179 54H 0.515789 0.788235
180 VMS 0.515789 0.788235
181 52H 0.515789 0.77907
182 NSS 0.515464 0.8
183 BT5 0.513274 0.831325
184 NAQ 0.512821 0.871795
185 ZAS 0.511905 0.766234
186 A3N 0.511628 0.786667
187 J7C 0.511628 0.769231
188 5X8 0.511111 0.763158
189 53H 0.510417 0.77907
190 5CA 0.510417 0.8
191 ARU 0.510204 0.860759
192 ARG AMP 0.509434 0.829268
193 AF3 ADP 3PG 0.509259 0.8375
194 LA8 ALF 3PG 0.509259 0.8375
195 ALF ADP 3PG 0.509259 0.8375
196 ZID 0.508475 0.918919
197 P1H 0.508197 0.851852
198 OVE 0.505882 0.905405
199 S4M 0.505747 0.666667
200 LPA AMP 0.504673 0.817073
201 7MC 0.504587 0.841463
202 DZD 0.5 0.884615
203 LSS 0.5 0.761364
204 DSZ 0.5 0.8
205 P5A 0.5 0.744444
206 DSH 0.5 0.725
207 FB0 0.5 0.804598
208 MAO 0.5 0.759036
209 NDE 0.495935 0.932432
210 N0B 0.495798 0.819277
211 M24 0.495726 0.85
212 YLY 0.495726 0.809524
213 NJP 0.495575 0.945946
214 NVA LMS 0.494949 0.761364
215 MGP 0.494737 0.884615
216 6C6 0.494624 0.881579
217 NAJ PZO 0.491379 0.848101
218 0WD 0.491228 0.921053
219 LEU LMS 0.49 0.761364
220 6G0 0.489583 0.884615
221 GJV 0.488636 0.75
222 6FA 0.488189 0.841463
223 5AD 0.486842 0.746479
224 GSU 0.485149 0.77907
225 KAA 0.485149 0.752809
226 71V 0.483146 0.907895
227 NEC 0.482759 0.746667
228 A3G 0.482759 0.8
229 NAD IBO 0.482456 0.87013
230 ODP 0.482456 0.909091
231 FAS 0.48062 0.851852
232 FAD 0.48062 0.851852
233 7D7 0.480519 0.743243
234 FDA 0.480315 0.833333
235 N6P 0.48 0.915493
236 2SA 0.479167 0.932432
237 GP3 0.478723 0.921053
238 4TA 0.478261 0.807229
239 G A A A 0.478261 0.871795
240 SFG 0.478261 0.75
241 NPW 0.477876 0.886076
242 NDP 0.477876 0.921053
243 NDC 0.47619 0.871795
244 YSA 0.47619 0.77907
245 MGO 0.474227 0.860759
246 6IA 0.473684 0.8375
247 TXP 0.473684 0.921053
248 GDP 0.473684 0.92
249 NZQ 0.473684 0.909091
250 A7D 0.472527 0.776316
251 SFD 0.469231 0.734043
252 ZDA 0.468085 0.864865
253 SA8 0.468085 0.707317
254 A5D 0.468085 0.786667
255 12D 0.46789 0.785714
256 PGS 0.467391 0.883117
257 MHZ 0.467391 0.697674
258 62F 0.466165 0.8625
259 DA 0.465909 0.878378
260 D5M 0.465909 0.878378
261 GGZ 0.464646 0.825
262 SAH 0.463158 0.74359
263 SAI 0.463158 0.734177
264 NAJ PYZ 0.46281 0.85
265 FAY 0.462687 0.8625
266 Y3J 0.4625 0.726027
267 PO4 PO4 A A A A PO4 0.460784 0.902778
268 AAM 0.460674 0.971429
269 RFL 0.459259 0.821429
270 SMM 0.459184 0.686047
271 AMZ 0.458824 0.916667
272 C2R 0.458824 0.90411
273 SAM 0.458333 0.690476
274 A3S 0.456522 0.810811
275 FNK 0.455224 0.804598
276 7C5 0.453704 0.818182
277 AAT 0.453608 0.707317
278 EEM 0.453608 0.690476
279 XNP 0.452991 0.873418
280 AIR 0.451219 0.901408
281 62X 0.45098 0.666667
282 GSP 0.45 0.873418
283 ETB 0.45 0.833333
284 DCA 0.45 0.823529
285 U A G G 0.449153 0.883117
286 NIA 0.448276 0.822785
287 AMP NAD 0.447154 0.881579
288 A3T 0.446809 0.821918
289 K15 0.446602 0.682353
290 A A A 0.446602 0.905405
291 PUA 0.446281 0.884615
292 6K6 0.445545 0.930556
293 GEK 0.445545 0.7375
294 4YB 0.445455 0.761364
295 S7M 0.444444 0.690476
296 DG1 0.443548 0.921053
297 1DG 0.443548 0.921053
298 Z5A 0.443548 0.77907
299 COA 0.442623 0.823529
300 0T1 0.442623 0.823529
301 WSA 0.442478 0.788235
302 8BR 0.43956 0.906667
303 101 0.438202 0.878378
304 IDP 0.4375 0.918919
305 NAP 0.435484 0.945205
306 APU 0.434783 0.894737
307 A U 0.434783 0.87013
308 7RP 0.433333 0.928571
309 A6D 0.432692 0.722892
310 CAO 0.432 0.795455
311 AMX 0.432 0.833333
312 COS 0.432 0.804598
313 TAP 0.432 0.907895
314 J7V 0.432 0.833333
315 30N 0.432 0.752688
316 V1N 0.431193 0.917808
317 649 0.429825 0.744444
318 P5F 0.429577 0.823529
319 NA0 0.428571 0.932432
320 CMX 0.428571 0.823529
321 7RA 0.428571 0.957747
322 SCO 0.428571 0.823529
323 0UM 0.427184 0.698795
324 GAV 0.427184 0.884615
325 ACK 0.426966 0.861111
326 1RB 0.426966 0.885714
327 QQY 0.426966 0.815789
328 GCP 0.425743 0.896104
329 G1R 0.425743 0.907895
330 FAM 0.425197 0.804598
331 FCX 0.425197 0.795455
332 ACO 0.425197 0.795455
333 GNH 0.424242 0.907895
334 F2N 0.423611 0.813953
335 GDC 0.422018 0.884615
336 GDD 0.422018 0.884615
337 GKE 0.422018 0.884615
338 HAX 0.421875 0.804598
339 3AD 0.421687 0.805556
340 GNP 0.421569 0.896104
341 FA9 0.42069 0.864198
342 KB1 0.420561 0.698795
343 TM1 0.420561 0.77381
344 H6Y 0.42 0.945205
345 2MC 0.419847 0.769231
346 3KK 0.418605 0.804598
347 FYN 0.418605 0.823529
348 S8M 0.417476 0.759494
349 2VA 0.416667 0.8
350 NHD 0.416667 0.905405
351 26A 0.416667 0.763158
352 QQX 0.41573 0.805195
353 SOP 0.415385 0.804598
354 OXK 0.415385 0.804598
355 COK 0.415385 0.804598
356 MCD 0.415385 0.804598
357 CA6 0.415385 0.729167
358 YE1 0.413534 0.813953
359 FAI 0.413043 0.916667
360 AS 0.413043 0.833333
361 RMB 0.413043 0.873239
362 1VU 0.412214 0.795455
363 CO6 0.412214 0.804598
364 CMC 0.412214 0.804598
365 NMX 0.412214 0.76087
366 SXZ 0.411215 0.710843
367 ANZ 0.410714 0.8
368 SCA 0.410448 0.804598
369 PLP AAD 0.409836 0.741573
370 SCD 0.409091 0.823529
371 CAJ 0.409091 0.804598
372 NAD BBN 0.408759 0.841463
373 NVA 2AD 0.408163 0.74359
374 D3Y 0.407767 0.789474
375 CC5 0.407407 0.816901
376 U G A 0.407407 0.839506
377 KH3 0.40708 0.674419
378 SLU 0.406504 0.770115
379 G 0.40625 0.906667
380 5GP 0.40625 0.906667
381 BCO 0.406015 0.804598
382 IVC 0.406015 0.813953
383 A1S 0.406015 0.804598
384 MLC 0.406015 0.804598
385 3HC 0.406015 0.813953
386 1HE 0.406015 0.786517
387 GTG 0.405405 0.886076
388 NMN AMP PO4 0.404959 0.87013
389 3D1 0.404762 0.773333
390 3L1 0.404762 0.773333
391 CMP 0.404255 0.901408
392 2BA 0.404255 0.915493
393 SO8 0.40404 0.789474
394 VRT 0.40404 0.769231
395 MCA 0.402985 0.795455
396 CAA 0.402985 0.813953
397 COO 0.402985 0.804598
398 NAD CJ3 0.402878 0.811765
399 G2R 0.401869 0.884615
400 3NZ 0.401869 0.782051
401 ZZB 0.4 0.77381
402 MC4 0.4 0.76087
403 2FA 0.4 0.813333
404 2CP 0.4 0.795455
Ligand no: 3; Ligand: 8QN; Similar ligands found: 318
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 TXA 0.712766 0.972603
12 NB8 0.712766 0.909091
13 BA3 0.710843 0.931507
14 A2D 0.707317 0.931507
15 AP5 0.702381 0.931507
16 B4P 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 AMP 0.670732 0.930556
23 A 0.670732 0.930556
24 AQP 0.670455 0.931507
25 5FA 0.670455 0.931507
26 PRX 0.670455 0.906667
27 ADX 0.666667 0.839506
28 ABM 0.666667 0.931507
29 DLL 0.663158 0.972222
30 YLP 0.660194 0.876543
31 OOB 0.659574 0.972222
32 ACP 0.659091 0.906667
33 ATP 0.659091 0.931507
34 50T 0.659091 0.893333
35 APR 0.651685 0.958333
36 AR6 0.651685 0.958333
37 DAL AMP 0.648936 0.972222
38 00A 0.645833 0.921053
39 AHX 0.645833 0.884615
40 AD9 0.644444 0.906667
41 AGS 0.644444 0.883117
42 SAP 0.644444 0.883117
43 1ZZ 0.642857 0.898734
44 YLB 0.641509 0.876543
45 YLC 0.641509 0.898734
46 3UK 0.639175 0.958904
47 AMP MG 0.635294 0.88
48 PR8 0.632653 0.886076
49 WAQ 0.632653 0.921053
50 A12 0.632184 0.894737
51 AP2 0.632184 0.894737
52 TYM 0.632075 0.945946
53 TSB 0.631579 0.831325
54 ANP 0.630435 0.906667
55 ACQ 0.630435 0.906667
56 SRA 0.623529 0.881579
57 OAD 0.622449 0.986111
58 A1R 0.618557 0.871795
59 AYB 0.618182 0.865854
60 ATF 0.617021 0.894737
61 9SN 0.613861 0.909091
62 48N 0.613208 0.934211
63 GAP 0.612903 0.932432
64 4UV 0.61165 0.933333
65 AU1 0.611111 0.906667
66 3OD 0.61 0.986111
67 YLA 0.609091 0.853659
68 5SV 0.608247 0.860759
69 XAH 0.601942 0.851852
70 SON 0.6 0.945946
71 4UU 0.6 0.933333
72 A22 0.597938 0.918919
73 APC 0.597826 0.894737
74 TAT 0.595745 0.894737
75 FYA 0.594059 0.893333
76 ADP MG 0.593407 0.893333
77 25A 0.591837 0.931507
78 RBY 0.591398 0.92
79 ADV 0.591398 0.92
80 LAQ 0.588785 0.875
81 BEF ADP 0.586957 0.87013
82 ADP BEF 0.586957 0.87013
83 ADQ 0.585859 0.932432
84 YLY 0.581197 0.865854
85 4UW 0.577982 0.922078
86 ADP PO3 0.574468 0.930556
87 54H 0.571429 0.821429
88 VMS 0.571429 0.821429
89 ATP MG 0.568421 0.893333
90 AP0 0.567568 0.884615
91 A5A 0.56701 0.841463
92 BIS 0.563107 0.871795
93 G3A 0.560748 0.884615
94 25L 0.557692 0.918919
95 MYR AMP 0.557692 0.875
96 IOT 0.557522 0.843373
97 TYR AMP 0.556604 0.92
98 AFH 0.555556 0.873418
99 G5P 0.555556 0.884615
100 N0B 0.553719 0.853659
101 ADP ALF 0.55102 0.858974
102 ALF ADP 0.55102 0.858974
103 GTA 0.550459 0.875
104 MAP 0.55 0.883117
105 TXD 0.54955 0.896104
106 NAI 0.54955 0.896104
107 VO4 ADP 0.545455 0.918919
108 ANP MG 0.545455 0.883117
109 ADP VO4 0.545455 0.918919
110 TXE 0.544643 0.896104
111 OMR 0.544643 0.8875
112 52H 0.54 0.811765
113 LSS 0.539216 0.793103
114 COD 0.538462 0.823529
115 5AS 0.537634 0.790698
116 A3T 0.536842 0.835616
117 TAD 0.536364 0.873418
118 6V0 0.535714 0.884615
119 NXX 0.535714 0.945946
120 DND 0.535714 0.945946
121 NAX 0.535714 0.8625
122 53H 0.534653 0.811765
123 5CA 0.534653 0.790698
124 BT5 0.533898 0.843373
125 JB6 0.533333 0.871795
126 ARG AMP 0.531532 0.841463
127 2A5 0.53125 0.857143
128 ALF ADP 3PG 0.530973 0.873418
129 LA8 ALF 3PG 0.530973 0.873418
130 SSA 0.53 0.790698
131 AOC 0.527473 0.810811
132 7MD 0.527273 0.875
133 T5A 0.525862 0.853659
134 XYA 0.52439 0.808219
135 RAB 0.52439 0.808219
136 ADN 0.52439 0.808219
137 5CD 0.52381 0.794521
138 AMP DBH 0.522936 0.881579
139 UP5 0.522124 0.907895
140 CNA 0.521368 0.92
141 5X8 0.520833 0.8
142 G5A 0.520408 0.790698
143 AF3 ADP 3PG 0.517544 0.873418
144 DTA 0.517241 0.776316
145 3DH 0.516854 0.786667
146 A3D 0.516667 0.958904
147 M24 0.516393 0.886076
148 ADP BMA 0.514286 0.906667
149 LEU LMS 0.514286 0.793103
150 LPA AMP 0.513274 0.851852
151 ADJ 0.512821 0.841463
152 5N5 0.511905 0.783784
153 MTA 0.511364 0.786667
154 DSZ 0.509615 0.811765
155 A A 0.509434 0.905405
156 A4P 0.508621 0.811765
157 NAQ 0.508065 0.909091
158 A4D 0.505882 0.783784
159 EP4 0.505747 0.766234
160 7D5 0.505618 0.842105
161 NVA LMS 0.504762 0.793103
162 AHZ 0.504425 0.875
163 SMM 0.5 0.738095
164 UPA 0.5 0.896104
165 7D3 0.5 0.844156
166 NAD 0.5 0.945205
167 4TC 0.5 0.884615
168 7MC 0.5 0.876543
169 M2T 0.5 0.746835
170 KAA 0.495327 0.764045
171 GSU 0.495327 0.811765
172 NSS 0.495238 0.790698
173 EEM 0.49505 0.743902
174 PAP 0.494949 0.917808
175 SA8 0.494949 0.7625
176 ATR 0.494949 0.90411
177 7D4 0.494845 0.844156
178 A3P 0.494737 0.930556
179 NAD IBO 0.491667 0.907895
180 ATP A A A 0.490909 0.917808
181 SAH 0.49 0.779221
182 SFG 0.489796 0.786667
183 NAE 0.488 0.933333
184 BTX 0.487603 0.831325
185 139 0.487395 0.8625
186 YSA 0.486486 0.790698
187 SAM 0.485149 0.743902
188 FB0 0.484848 0.795455
189 EAD 0.484375 0.886076
190 6RE 0.483871 0.728395
191 P5A 0.481481 0.755556
192 A2R 0.480769 0.945205
193 PPS 0.480392 0.817073
194 6AD 0.480392 0.873418
195 ITT 0.479592 0.878378
196 A2P 0.479167 0.916667
197 3AM 0.478261 0.890411
198 ARU 0.476636 0.82716
199 NAJ PZO 0.475806 0.860759
200 SAI 0.475248 0.769231
201 J7C 0.473684 0.7375
202 AR6 AR6 0.473684 0.931507
203 ZAS 0.473118 0.75641
204 DZD 0.471545 0.873418
205 S7M 0.471154 0.743902
206 NDE 0.469697 0.92
207 P1H 0.469697 0.864198
208 A7D 0.469388 0.766234
209 S4M 0.46875 0.678161
210 ZID 0.46875 0.932432
211 MAO 0.463918 0.771084
212 DSH 0.463158 0.716049
213 2VA 0.46 0.813333
214 A3N 0.458333 0.753247
215 IMO 0.458333 0.890411
216 GEK 0.457944 0.772152
217 FAS 0.456522 0.864198
218 FAD 0.456522 0.864198
219 3AT 0.456311 0.905405
220 V3L 0.456311 0.958333
221 6IA 0.456311 0.82716
222 A3S 0.454545 0.8
223 FNK 0.453901 0.795455
224 WSA 0.453782 0.8
225 0UM 0.453704 0.753086
226 GJV 0.453608 0.719512
227 2AM 0.451613 0.878378
228 A5D 0.45098 0.776316
229 SXZ 0.45045 0.765432
230 NAJ PYZ 0.449612 0.8625
231 62X 0.449541 0.717647
232 A3G 0.447917 0.789474
233 NEC 0.447917 0.76
234 2SA 0.447619 0.92
235 5AD 0.447059 0.760563
236 SO8 0.446602 0.802632
237 AMP NAD 0.446154 0.945946
238 SFD 0.446043 0.744681
239 K15 0.445455 0.73494
240 NA7 0.445455 0.894737
241 FDA 0.445255 0.823529
242 6FA 0.442029 0.853659
243 NDC 0.441176 0.884615
244 0WD 0.44 0.884615
245 G A A A 0.44 0.860759
246 4TA 0.44 0.841463
247 7C5 0.439655 0.831169
248 AAT 0.438095 0.698795
249 OVE 0.4375 0.844156
250 PGS 0.435644 0.825
251 MHZ 0.435644 0.709302
252 AV2 0.433962 0.855263
253 6C6 0.432692 0.846154
254 VRT 0.432692 0.782051
255 4YB 0.432203 0.793103
256 NJP 0.432 0.907895
257 DAT 0.431373 0.844156
258 AVV 0.431193 0.860759
259 FAY 0.430556 0.875
260 P5F 0.42953 0.835294
261 DTP 0.428571 0.844156
262 RFL 0.427586 0.833333
263 NDP 0.427419 0.884615
264 Y3J 0.426966 0.716216
265 ETB 0.426357 0.823529
266 DCA 0.426357 0.813953
267 C2R 0.425532 0.891892
268 AMZ 0.425532 0.878378
269 7D7 0.425287 0.733333
270 U A G G 0.425197 0.871795
271 TXP 0.424 0.884615
272 NZQ 0.424 0.873418
273 62F 0.423611 0.851852
274 GGZ 0.422018 0.792683
275 FA9 0.421053 0.853659
276 KB1 0.421053 0.731707
277 ODP 0.420635 0.873418
278 71V 0.42 0.848101
279 0T1 0.419847 0.813953
280 COA 0.419847 0.813953
281 A6D 0.419643 0.714286
282 S8M 0.418182 0.75
283 649 0.418033 0.755556
284 NPW 0.416 0.851852
285 3NZ 0.415929 0.794872
286 F2N 0.414474 0.804598
287 DAL FAD PER 0.413333 0.843373
288 N6P 0.410714 0.876712
289 AMX 0.410448 0.823529
290 Z5A 0.410448 0.811765
291 CAO 0.410448 0.786517
292 COS 0.410448 0.795455
293 30N 0.410448 0.744681
294 D3Y 0.409091 0.779221
295 KH3 0.408333 0.72619
296 CMX 0.407407 0.835294
297 NA0 0.407407 0.945946
298 SCO 0.407407 0.835294
299 PO4 PO4 A A A A PO4 0.40708 0.890411
300 A A A 0.40708 0.893333
301 CA6 0.405797 0.721649
302 MCD 0.405797 0.816092
303 6K6 0.405405 0.891892
304 ACO 0.404412 0.786517
305 FCX 0.404412 0.806818
306 FAM 0.404412 0.795455
307 DA 0.40404 0.842105
308 D5M 0.40404 0.842105
309 CO6 0.402878 0.795455
310 26A 0.402174 0.753247
311 NIA 0.402062 0.790123
312 DDS 0.401869 0.818182
313 HAX 0.40146 0.795455
314 AAM 0.4 0.930556
315 FAD NBT 0.4 0.741935
316 ANZ 0.4 0.768293
317 FAI 0.4 0.878378
318 2MC 0.4 0.76087
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5N9X; Ligand: 8QN; Similar sites found: 55
This union binding pocket(no: 1) in the query (biounit: 5n9x.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GPM AMP 0.01324 0.42335 1.71429
2 2W5P CL8 0.02858 0.40001 2.01342
3 2BOS GLA GAL 0.01792 0.4286 2.94118
4 2BOS GLA GAL GLC 0.01934 0.42717 2.94118
5 4OEV OXL 0.007325 0.4355 3.64372
6 2B1Q TRE 0.01603 0.41551 3.68852
7 4XWM CBI 0.03665 0.40119 3.96975
8 2J5V RGP 0.02413 0.40956 4.08719
9 5KOD AMP 0.00003869 0.45665 4.15879
10 3SJK LYS PRO VAL LEU ARG THR ALA 0.011 0.42107 4.21053
11 1QKQ MAN 0.005229 0.41345 4.92958
12 3G6N MET ALA SER 0.01115 0.42368 5.2356
13 4FE2 ADP 0.01832 0.40035 5.88235
14 4EPM AMP 0.0005299 0.4441 6.42722
15 5M6N 7H9 0.02335 0.40701 6.77966
16 4DSU BZI 0.012 0.42539 12.6984
17 2Y4O DLL 0.00000002473 0.62313 16.7043
18 2Y4N DLL 0.00000009092 0.54228 17.6201
19 2Y4N PAC 0.0000116 0.51572 17.6201
20 5MST AMP 0.00000000709 0.66743 23.8185
21 5MST FUM 0.00000004151 0.58736 23.8185
22 2D1S SLU 0.00000004445 0.62766 25.1418
23 3IES M24 0.00000002709 0.64546 25.3308
24 5BSR AMP 0.0000004877 0.60282 25.3308
25 5BSR COA 0.00000116 0.60282 25.3308
26 5MSD BEZ 0.00000000549 0.62917 26.276
27 5MSD AMP 0.000000003818 0.60497 26.276
28 5HM3 649 0.000003744 0.47732 26.276
29 5EY9 5SV 0.000004638 0.50213 27.0321
30 5D6J ATP 0.000001944 0.52309 33.7838
31 3KXW 1ZZ 0.00000003529 0.62474 35.3497
32 3C5E ATP 0.0000001033 0.42193 37.6181
33 4RLQ 3SK 0.0000003809 0.45537 37.7649
34 5OE4 3UK 0.000000027 0.6261 39.0663
35 3E7W AMP 0.00000008376 0.55077 39.5303
36 1V25 ANP 0.0000001178 0.49942 39.6975
37 3O84 HTJ 0.000008227 0.49256 39.6975
38 5C5H 4YB 0.0000001495 0.59841 40.3974
39 1MDB AMP DBH 0.0000001301 0.57604 40.4537
40 1RY2 AMP 0.005244 0.43434 41.0208
41 4GXQ ATP 0.00000003682 0.60434 41.1067
42 4FUT ATP 0.00000011 0.57655 41.3519
43 1PG4 PRX 0.0000002314 0.43817 41.5879
44 1PG4 COA 0.0000002314 0.43817 41.5879
45 5IE3 OXD 0.00000001104 0.65101 42.607
46 5IE3 AMP 0.00000001104 0.65101 42.607
47 4OXI GAP 0.0000000001964 0.69578 43.8563
48 5X8G S0N 0.00000001625 0.67948 43.9175
49 3NYQ AMP 0.0000001205 0.61546 44.5545
50 3NYQ MCA 0.000000114 0.61447 44.5545
51 4DG8 AMP 0.0000005494 0.52938 44.6125
52 3CW9 AMP 0.0000000001084 0.75756 44.8413
53 3DHV DAL AMP 0.0000000001892 0.71642 45.5078
54 1AMU AMP 0.000000002342 0.61055 48.0151
55 4GR5 APC 0.0000004335 0.52647 48.7713
Pocket No.: 2; Query (leader) PDB : 5N9X; Ligand: ATP; Similar sites found: 47
This union binding pocket(no: 2) in the query (biounit: 5n9x.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PA8 621 0.02767 0.4016 1.9685
2 1H3F TYE 0.0142 0.41751 2.31481
3 4OEV OXL 0.03014 0.40131 3.64372
4 2B1Q TRE 0.01053 0.42332 3.68852
5 2J5V RGP 0.01952 0.41323 4.08719
6 5KOD AMP 0.00002828 0.46717 4.15879
7 4EPM AMP 0.0003848 0.45389 6.42722
8 2Y4O DLL 0.0000003527 0.58196 16.7043
9 2Y4N PAC 0.0000006411 0.56574 17.6201
10 2Y4N DLL 0.0000005031 0.51111 17.6201
11 1USF NAP 0.00939 0.40503 17.9775
12 5MST AMP 0.0000000008391 0.70451 23.8185
13 5MST FUM 0.000000004734 0.61387 23.8185
14 2D1S SLU 0.00000004771 0.63361 25.1418
15 3IES M24 0.00000009649 0.6286 25.3308
16 5BSR COA 0.00000128 0.60694 25.3308
17 5BSR AMP 0.0000005861 0.60565 25.3308
18 5MSD BEZ 0.000000003024 0.65267 26.276
19 5MSD AMP 0.0000000004377 0.65267 26.276
20 5HM3 649 0.000001938 0.47933 26.276
21 5EY9 5SV 0.000002745 0.50256 27.0321
22 5D6J ATP 0.000001431 0.53672 33.7838
23 3KXW 1ZZ 0.00000004244 0.62868 35.3497
24 3C5E ATP 0.00000003553 0.42731 37.6181
25 4RLQ 3SK 0.00000127 0.43688 37.7649
26 5OE4 3UK 0.00000004559 0.61359 39.0663
27 3E7W AMP 0.0000001833 0.54677 39.5303
28 3O84 HTJ 0.000004978 0.49435 39.6975
29 1V25 ANP 0.000000139 0.48954 39.6975
30 5C5H 4YB 0.0000004138 0.58634 40.3974
31 1MDB AMP DBH 0.000000064 0.59908 40.4537
32 1RY2 AMP 0.006066 0.4345 41.0208
33 4GXQ ATP 0.00000001674 0.63172 41.1067
34 4FUT ATP 0.00000003996 0.60695 41.3519
35 1PG4 COA 0.0000002959 0.42607 41.5879
36 1PG4 PRX 0.0000002959 0.42607 41.5879
37 5IE3 OXD 0.000000003648 0.67957 42.607
38 5IE3 AMP 0.000000003648 0.67957 42.607
39 4OXI GAP 0.000000002533 0.6659 43.8563
40 5X8G S0N 0.0000003627 0.62504 43.9175
41 3NYQ AMP 0.0000001752 0.61525 44.5545
42 3NYQ MCA 0.0000001611 0.61486 44.5545
43 4DG8 AMP 0.000000486 0.53946 44.6125
44 3CW9 AMP 0.000000002092 0.69688 44.8413
45 3DHV DAL AMP 0.0000000005329 0.69412 45.5078
46 1AMU AMP 0.00000000002966 0.69608 48.0151
47 4GR5 APC 0.00000002211 0.58274 48.7713
Pocket No.: 3; Query (leader) PDB : 5N9X; Ligand: THR; Similar sites found: 77
This union binding pocket(no: 3) in the query (biounit: 5n9x.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NC9 TR3 0.04858 0.41016 1.27796
2 4DV8 0LX 0.04196 0.40342 1.3308
3 5KOR GDP 0.01179 0.4195 1.34357
4 2WQQ CSF 0.02397 0.40044 1.37457
5 1ZMD NAI 0.02672 0.40817 1.47679
6 3ZLB ANP 0.01401 0.42153 1.75879
7 2IRY DGT 0.02249 0.40103 1.9802
8 3WQT ANP 0.01721 0.40148 2.06612
9 1PNO NAP 0.02781 0.41423 2.22222
10 4I2D APC 0.03818 0.40609 2.25
11 2Q7V FAD 0.03109 0.42079 2.46154
12 5AR0 GB8 0.02156 0.41198 2.53807
13 3KJD 78P 0.01686 0.41136 2.71739
14 5W4W 9WG 0.03278 0.41378 2.71903
15 4AGQ P96 0.02886 0.40153 2.73973
16 1RX0 FAD 0.008141 0.44308 3.05344
17 1GVE NAP 0.01215 0.42761 3.0581
18 2QXL ATP 0.02359 0.40159 3.21361
19 5L4L NAP 0.03343 0.4049 3.28947
20 3FUU ADN 0.008707 0.42922 3.32103
21 1XDY MTE 0.01741 0.40346 3.69128
22 1XXR MAN 0.003395 0.42254 3.72671
23 2GQT FAD 0.002567 0.49666 3.73134
24 5EOU ATP 0.01128 0.41725 3.76344
25 2IV3 UDP 0.001396 0.46789 3.80117
26 1U1I NAD 0.04725 0.40518 4.59184
27 1TRD PGH 0.01622 0.40415 4.8
28 2C6Q IMP 0.01499 0.42009 4.8433
29 5FA8 SAM 0.02049 0.40863 4.96894
30 3AYI HCI 0.04094 0.422 5.29301
31 3AYI FAD 0.03992 0.422 5.29301
32 5JXZ ISJ 0.01736 0.40583 5.37084
33 5JXZ ISC 0.0214 0.40167 5.37084
34 1LQA NDP 0.01806 0.42471 5.49133
35 3C9U ADP 0.02118 0.40349 5.55556
36 3C9U TPP 0.0427 0.40169 5.55556
37 1Z08 GNP 0.02977 0.40692 5.88235
38 3EYA TDP 0.04104 0.40253 6.04915
39 2OFW ADX 0.03327 0.40751 6.25
40 5A1S FLC 0.01362 0.40131 7.14286
41 4PVR ASP 0.01271 0.40764 7.74194
42 3VPH NAD 0.03462 0.40483 9.03226
43 3VPH OXM 0.04046 0.40099 9.03226
44 1HXD BTN 0.01529 0.40781 9.03427
45 4EPL JAI 0.02654 0.40027 9.26276
46 3ZLQ 6T9 0.02922 0.4012 9.83607
47 5TDF 7A3 0.01791 0.40108 9.87654
48 5L95 AMP 0.004002 0.44649 10
49 1UYY BGC BGC 0.006171 0.4173 10.687
50 5HQ0 LZ9 0.01411 0.41334 10.7143
51 1U3G THF 0.003518 0.45757 13.2275
52 2Y4O DLL 0.000232 0.50905 16.7043
53 5MST FUM 0.00009527 0.44909 23.8185
54 5MST AMP 0.00005774 0.42664 23.8185
55 2D1S SLU 0.0002732 0.50744 25.1418
56 3IES M24 0.00003873 0.56876 25.3308
57 5BSR AMP 0.0003388 0.53594 25.3308
58 5BSR COA 0.0005505 0.53594 25.3308
59 5MSD BEZ 0.0001598 0.51395 26.276
60 5MSD AMP 0.002031 0.45591 26.276
61 5EY9 5SV 0.0000008362 0.41352 27.0321
62 3KXW 1ZZ 0.00007206 0.54434 35.3497
63 2V7B BEZ 0.0001325 0.48852 39.5085
64 3E7W AMP 0.003747 0.43963 39.5303
65 5C5H 4YB 0.000001451 0.63096 40.3974
66 1MDB AMP DBH 0.0005713 0.48234 40.4537
67 4GXQ ATP 0.0124 0.42596 41.1067
68 4FUT ATP 0.03487 0.40109 41.3519
69 5IE3 OXD 0.0002754 0.51201 42.607
70 5IE3 AMP 0.0002754 0.51201 42.607
71 4OXI GAP 0.000000359 0.67359 43.8563
72 5X8G S0N 0.000004748 0.64372 43.9175
73 3NYQ MCA 0.0001572 0.53378 44.5545
74 3NYQ AMP 0.0001666 0.53378 44.5545
75 4DG8 AMP 0.006603 0.43019 44.6125
76 3DHV DAL AMP 0.0000006259 0.44118 45.5078
77 1AMU AMP 0.001039 0.46877 48.0151
Feedback