Receptor
PDB id Resolution Class Description Source Keywords
2W02 2.2 Å NON-ENZYME: OTHER CO-COMPLEX STRUCTURE OF ACHROMOBACTIN SYNTHETASE PROTEIN D ( ATP FROM PECTOBACTERIUM CHRYSANTHEMI ERWINIA CHRYSANTHEMI SSPF ACSD ACHROMOBACTIN BIOSYNTHESIS METAL TRANSPORT PECTOBACTERIUM CHRYSANTHEMI
Ref.: ACSD CATALYZES ENANTIOSELECTIVE CITRATE DESYMMETRIZ SIDEROPHORE BIOSYNTHESIS. NAT. CHEM. BIOL. V. 5 174 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:1588;
B:1588;
 Valid;
Valid;
 none;
none;
 submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MG A:1589;
B:1589;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
SER B:1590;
 Valid;
 none;
 submit data
105.093 C3 H7 N O3 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X3J 2 Å NON-ENZYME: OTHER CO-COMPLEX STRUCTURE OF ACHROMOBACTIN SYNTHETASE PROTEIN D ( ATP AND N-CITRYL-ETHYLENEDIAMINE FROM PECTOBACTERIUM CHRYSA ERWINIA CHRYSANTHEMI ALCALIGIN BIOSYNTHESIS LIGASE ALCC ADENYLATION SIDEROPHOACQUISITION
Ref.: STRUCTURAL BASIS FOR ACYL ACCEPTOR SPECIFICITY IN T ACHROMOBACTIN BIOSYNTHETIC ENZYME ACSD. J.MOL.BIOL. V. 412 495 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2W02 - SER C3 H7 N O3 C([C@@H](C....
2 2X3J - X3J C8 H14 N2 O6 C(CNC(=O)C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2W02 - SER C3 H7 N O3 C([C@@H](C....
2 2X3J - X3J C8 H14 N2 O6 C(CNC(=O)C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2W02 - SER C3 H7 N O3 C([C@@H](C....
2 2X3J - X3J C8 H14 N2 O6 C(CNC(=O)C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; 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: 2; Ligand: SER; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 SER 1 1
2 DSN 1 1
3 DCY 0.65 0.84
4 CYS 0.65 0.84
5 DBB 0.6 0.692308
6 ABA 0.6 0.692308
7 2RA 0.6 0.75
8 HSE 0.590909 0.821429
9 C2N 0.571429 0.730769
10 ASN 0.545455 0.625
11 ASP 0.545455 0.714286
12 DAS 0.545455 0.714286
13 DAB 0.521739 0.724138
14 HL5 0.518519 0.814815
15 AS2 0.5 0.703704
16 NVA 0.5 0.62069
17 HCS 0.5 0.777778
18 CSO 0.5 0.636364
19 LEU 0.5 0.642857
20 API 0.5 0.633333
21 CSS 0.48 0.689655
22 DGY 0.47619 0.607143
23 DGL 0.461538 0.655172
24 GLU 0.461538 0.655172
25 GGL 0.461538 0.655172
26 ORN 0.444444 0.689655
27 SLZ 0.433333 0.625
28 DLY 0.413793 0.666667
29 11C 0.413793 0.633333
30 UN1 0.413793 0.633333
31 CME 0.40625 0.666667
32 LYS 0.4 0.645161
33 DHH 0.4 0.612903
Similar Ligands (3D)
Ligand no: 1; 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: 2; Ligand: SER; Similar ligands found: 667
No: Ligand Similarity coefficient
1 DE2 1.0000
2 3PY 1.0000
3 TAR 1.0000
4 SMB 1.0000
5 HUI 1.0000
6 DXX 1.0000
7 39J 0.9987
8 2KT 0.9984
9 KG7 0.9971
10 1AC 0.9864
11 ALA 0.9831
12 THR 0.9831
13 LAC 0.9792
14 2OP 0.9775
15 03W 0.9773
16 HIU 0.9773
17 OXL 0.9770
18 A3B 0.9766
19 PYR 0.9754
20 MB3 0.9746
21 ALQ 0.9719
22 HBS 0.9705
23 SSN 0.9680
24 NIS 0.9669
25 VAL 0.9668
26 CAQ 0.9666
27 9YL 0.9662
28 OXM 0.9658
29 CEJ 0.9658
30 23W 0.9655
31 OXD 0.9655
32 HV2 0.9653
33 MLI 0.9641
34 9X7 0.9640
35 2HA 0.9633
36 LER 0.9628
37 MLA 0.9622
38 GOL 0.9620
39 GXV 0.9620
40 192 0.9617
41 E60 0.9616
42 HGY 0.9607
43 C5J 0.9606
44 3GR 0.9606
45 NAK 0.9601
46 IPH 0.9599
47 ALO 0.9596
48 HBR 0.9594
49 AKB 0.9593
50 DTL 0.9582
51 TF4 0.9582
52 BAL 0.9573
53 IQ0 0.9573
54 PPF 0.9561
55 273 0.9559
56 MMZ 0.9554
57 MEU 0.9552
58 PYM 0.9552
59 3OH 0.9551
60 TAY 0.9550
61 AOA 0.9542
62 TFB 0.9541
63 DAL 0.9540
64 BUQ 0.9538
65 PRS 0.9537
66 BUB 0.9537
67 2PC 0.9536
68 PRO 0.9536
69 BUO 0.9536
70 MRY 0.9535
71 KIV 0.9534
72 DMG 0.9533
73 BAQ 0.9531
74 SAR 0.9530
75 FW5 0.9526
76 AAE 0.9522
77 7EX 0.9519
78 KSW 0.9515
79 2IM 0.9514
80 BU4 0.9509
81 5Y9 0.9508
82 BMD 0.9504
83 40O 0.9503
84 BUA 0.9499
85 69O 0.9495
86 MAK 0.9494
87 CYH 0.9494
88 LEA 0.9492
89 CXL 0.9492
90 BAE 0.9490
91 MLM 0.9487
92 A2Q 0.9483
93 280 0.9478
94 ICN 0.9475
95 HYN 0.9471
96 3ZQ 0.9469
97 NVI 0.9464
98 BXO 0.9462
99 CHT 0.9459
100 XIX 0.9458
101 V1L 0.9451
102 4AX 0.9449
103 HDA 0.9443
104 MZ0 0.9442
105 DTI 0.9442
106 HRZ 0.9441
107 9PO 0.9440
108 3HL 0.9435
109 1SP 0.9434
110 LGA 0.9434
111 3HR 0.9432
112 DMI 0.9428
113 2AP 0.9427
114 HVK 0.9427
115 XAP 0.9427
116 IVA 0.9426
117 DCD 0.9426
118 3AP 0.9425
119 HAI 0.9424
120 MBN 0.9423
121 HSL 0.9422
122 GXE 0.9421
123 4AP 0.9420
124 HPY 0.9414
125 MTG 0.9411
126 BEW 0.9410
127 24T 0.9409
128 ATQ 0.9406
129 P2D 0.9405
130 ABU 0.9404
131 AMT 0.9404
132 GBL 0.9402
133 URA 0.9401
134 WOT 0.9400
135 MAE 0.9399
136 MMU 0.9396
137 T2C 0.9394
138 HZP 0.9393
139 DTT 0.9391
140 3TR 0.9387
141 8CL 0.9387
142 PRI 0.9384
143 TMT 0.9384
144 93B 0.9383
145 278 0.9380
146 ODV 0.9374
147 6SP 0.9371
148 L60 0.9368
149 HVQ 0.9368
150 SIN 0.9366
151 8X3 0.9363
152 25T 0.9362
153 FUM 0.9358
154 J1Z 0.9356
155 26D 0.9352
156 BVG 0.9351
157 ITU 0.9350
158 1DU 0.9348
159 CRS 0.9346
160 1CB 0.9344
161 3BB 0.9342
162 265 0.9339
163 3MT 0.9336
164 TP5 0.9336
165 A8C 0.9333
166 SLP 0.9331
167 TTO 0.9328
168 9TY 0.9327
169 HGQ 0.9323
170 DTU 0.9321
171 XPO 0.9321
172 IHG 0.9321
173 HBX 0.9319
174 TAU 0.9318
175 PYC 0.9318
176 FOA 0.9317
177 VX 0.9316
178 BVC 0.9313
179 MR3 0.9312
180 HOW 0.9311
181 2HE 0.9309
182 POA 0.9309
183 C21 0.9308
184 282 0.9304
185 WTZ 0.9303
186 2MZ 0.9303
187 SYN 0.9303
188 PYF 0.9301
189 1MZ 0.9300
190 H3M 0.9300
191 2AI 0.9298
192 JZ6 0.9297
193 SGL 0.9296
194 D2P 0.9293
195 MZY 0.9292
196 TMZ 0.9292
197 4HA 0.9291
198 EGD 0.9291
199 NXA 0.9288
200 2EZ 0.9285
201 5MP 0.9285
202 5KX 0.9285
203 4MZ 0.9284
204 1DH 0.9278
205 ETX 0.9277
206 CYT 0.9276
207 RCO 0.9276
208 GOA 0.9270
209 PUT 0.9267
210 NBE 0.9266
211 285 0.9266
212 HHN 0.9265
213 TZC 0.9265
214 DUC 0.9264
215 PE9 0.9263
216 23B 0.9263
217 PYG 0.9262
218 SMV 0.9261
219 4JU 0.9259
220 IDH 0.9259
221 ABN 0.9258
222 LDU 0.9257
223 4CH 0.9256
224 PY7 0.9253
225 JZ3 0.9250
226 LG3 0.9250
227 QFH 0.9250
228 HLT 0.9248
229 BVF 0.9245
230 HYP 0.9245
231 4XX 0.9242
232 3CH 0.9240
233 ECE 0.9239
234 WBU 0.9237
235 BYZ 0.9235
236 NMG 0.9234
237 DPR 0.9231
238 93Q 0.9230
239 APY 0.9230
240 B20 0.9225
241 PIH 0.9223
242 MLT 0.9222
243 TEO 0.9222
244 OXE 0.9219
245 FJO 0.9219
246 2DR 0.9219
247 URF 0.9217
248 PPI 0.9216
249 LG5 0.9215
250 HQE 0.9214
251 FP2 0.9213
252 BTL 0.9212
253 YAN 0.9211
254 GLY 0.9211
255 NK 0.9210
256 FAH 0.9209
257 THE 0.9209
258 JAB 0.9208
259 92Z 0.9207
260 4MV 0.9207
261 F3V 0.9205
262 8GF 0.9204
263 AC5 0.9203
264 PLQ 0.9201
265 CIG 0.9200
266 284 0.9200
267 L89 0.9199
268 1MR 0.9198
269 EDG 0.9198
270 4DX 0.9198
271 AMC 0.9197
272 4HO 0.9197
273 TDR 0.9195
274 1AB 0.9194
275 2AF 0.9194
276 JZ0 0.9193
277 3SS 0.9191
278 DA1 0.9189
279 ICC 0.9189
280 BNZ 0.9188
281 76X 0.9187
282 ITN 0.9186
283 ILE 0.9183
284 R8A 0.9182
285 HGW 0.9182
286 PHZ 0.9182
287 2A1 0.9181
288 HX2 0.9180
289 FPN 0.9178
290 HEW 0.9178
291 HTS 0.9178
292 2CH 0.9177
293 IOM 0.9176
294 UGC 0.9176
295 0PY 0.9175
296 1AN 0.9175
297 FMS 0.9174
298 LG4 0.9174
299 PYJ 0.9173
300 TH0 0.9173
301 RP7 0.9173
302 8LG 0.9170
303 3ZS 0.9169
304 4H2 0.9167
305 TB6 0.9167
306 R2B 0.9167
307 40E 0.9166
308 FPI 0.9166
309 PCR 0.9165
310 JBN 0.9164
311 ETM 0.9161
312 MCT 0.9161
313 ES3 0.9160
314 FLA 0.9158
315 AML 0.9157
316 25R 0.9157
317 HAE 0.9155
318 6X8 0.9153
319 5MH 0.9153
320 FCN 0.9152
321 2A3 0.9152
322 938 0.9152
323 GLV 0.9152
324 B3R 0.9151
325 OAA 0.9150
326 BRP 0.9149
327 XBZ 0.9149
328 CP 0.9147
329 PXY 0.9147
330 2MH 0.9147
331 CMS 0.9146
332 275 0.9145
333 JZ2 0.9144
334 PYZ 0.9143
335 HY3 0.9142
336 LMR 0.9140
337 P1R 0.9137
338 HSW 0.9137
339 4CL 0.9136
340 2AC 0.9136
341 DCL 0.9135
342 GAG 0.9134
343 0R0 0.9132
344 B24 0.9131
345 4ZE 0.9130
346 1MC 0.9129
347 CNH 0.9129
348 BR9 0.9127
349 HHQ 0.9126
350 NIE 0.9126
351 MWM 0.9125
352 M3T 0.9125
353 H95 0.9123
354 XYD 0.9123
355 4HS 0.9121
356 4JJ 0.9120
357 VAH 0.9117
358 HSM 0.9116
359 6UA 0.9116
360 TSZ 0.9114
361 NEQ 0.9113
362 27Y 0.9112
363 A1U 0.9111
364 286 0.9111
365 ETF 0.9110
366 SAT 0.9109
367 2MP 0.9108
368 61G 0.9106
369 34A 0.9105
370 R1X 0.9103
371 YCP 0.9102
372 PYD 0.9102
373 ICP 0.9102
374 BML 0.9102
375 RSF 0.9101
376 4JN 0.9096
377 NCM 0.9094
378 AGU 0.9093
379 JZ5 0.9091
380 J3K 0.9087
381 IPU 0.9087
382 9CL 0.9082
383 BP9 0.9082
384 2YU 0.9081
385 13D 0.9078
386 MWJ 0.9077
387 DZZ 0.9076
388 3MC 0.9076
389 CRN 0.9074
390 98J 0.9073
391 MTD 0.9071
392 IMR 0.9070
393 PAE 0.9067
394 PCA 0.9066
395 AKR 0.9062
396 PXO 0.9060
397 5UC 0.9058
398 5AC 0.9055
399 TFS 0.9051
400 YHO 0.9051
401 43M 0.9049
402 OXQ 0.9048
403 P7I 0.9047
404 3CL 0.9046
405 F50 0.9045
406 MSF 0.9045
407 COM 0.9043
408 3FA 0.9041
409 60P 0.9040
410 MPI 0.9039
411 JZ9 0.9036
412 NBZ 0.9035
413 HT4 0.9031
414 51F 0.9031
415 2CO 0.9029
416 CRD 0.9028
417 MBD 0.9028
418 FPY 0.9027
419 5JC 0.9027
420 FFP 0.9026
421 QOS 0.9025
422 ISU 0.9020
423 JZ1 0.9020
424 OHG 0.9020
425 CP2 0.9018
426 CIZ 0.9018
427 BZI 0.9018
428 4JO 0.9018
429 R3W 0.9017
430 HVB 0.9014
431 GBD 0.9014
432 0R1 0.9014
433 2CM 0.9011
434 6NA 0.9010
435 MGX 0.9008
436 TM7 0.9008
437 AX2 0.9008
438 GVH 0.9006
439 3CE 0.9005
440 VSO 0.9004
441 47J 0.9003
442 DEN 0.9002
443 2C9 0.9001
444 FLM 0.9001
445 IOL 0.9001
446 MRZ 0.9001
447 0CT 0.9000
448 BEZ 0.8998
449 GMN 0.8997
450 IUR 0.8997
451 BZF 0.8996
452 3MH 0.8995
453 14J 0.8995
454 TAN 0.8994
455 2MY 0.8994
456 9A4 0.8993
457 IND 0.8991
458 NHY 0.8988
459 EFS 0.8984
460 GG6 0.8984
461 1XX 0.8982
462 LZ1 0.8982
463 MPD 0.8978
464 NMU 0.8974
465 TM4 0.8972
466 TZZ 0.8971
467 PZA 0.8967
468 TB0 0.8963
469 IDM 0.8963
470 JZ7 0.8963
471 6MH 0.8962
472 3SY 0.8959
473 1PT 0.8958
474 1DQ 0.8957
475 2ZX 0.8955
476 NIO 0.8954
477 BAM 0.8953
478 MET 0.8949
479 6PC 0.8948
480 3AY 0.8946
481 4SD 0.8944
482 MZW 0.8944
483 WDL 0.8943
484 IT2 0.8941
485 H76 0.8938
486 DUB 0.8935
487 COI 0.8934
488 TZL 0.8934
489 ZBT 0.8934
490 NCA 0.8934
491 Z6J 0.8932
492 5ZE 0.8925
493 XYS 0.8922
494 13X 0.8921
495 PG3 0.8915
496 OPE 0.8915
497 UY7 0.8914
498 XBT 0.8910
499 MZG 0.8910
500 ALF 0.8910
501 BEN 0.8909
502 DYA 0.8907
503 XYP 0.8906
504 ATO 0.8902
505 TCV 0.8902
506 4JP 0.8901
507 VGL 0.8900
508 Y8I 0.8899
509 FUB 0.8899
510 2RH 0.8895
511 DSS 0.8892
512 TLD 0.8889
513 ADE 0.8887
514 O7U 0.8877
515 XLS 0.8875
516 PGA 0.8874
517 9SB 0.8873
518 JYD 0.8869
519 M6W 0.8869
520 M2H 0.8866
521 HBA 0.8866
522 XUL 0.8864
523 8FH 0.8863
524 S0H 0.8861
525 FQI 0.8860
526 PAV 0.8858
527 ROR 0.8857
528 UYA 0.8857
529 32O 0.8856
530 PCT 0.8854
531 AHR 0.8854
532 BR8 0.8853
533 BXA 0.8849
534 TZE 0.8849
535 7VD 0.8845
536 ERH 0.8844
537 BDR 0.8840
538 54D 0.8838
539 9X6 0.8838
540 MMQ 0.8835
541 1BP 0.8835
542 3XX 0.8831
543 UNU 0.8831
544 2XX 0.8827
545 NTN 0.8819
546 5AN 0.8819
547 KYD 0.8817
548 AC0 0.8816
549 7HP 0.8811
550 TMH 0.8809
551 SS1 0.8809
552 34V 0.8808
553 MSE 0.8806
554 4JL 0.8804
555 BZX 0.8804
556 6AI 0.8795
557 C2A 0.8792
558 RIB 0.8792
559 2K4 0.8789
560 7CZ 0.8787
561 M58 0.8787
562 OXZ 0.8786
563 4VP 0.8786
564 SAL 0.8783
565 TLA 0.8783
566 11S 0.8780
567 0TR 0.8779
568 T6C 0.8779
569 5H1 0.8778
570 7MH 0.8775
571 0MK 0.8774
572 14O 0.8772
573 RUU 0.8771
574 QSC 0.8770
575 ES9 0.8770
576 5MB 0.8770
577 5MI 0.8769
578 KMT 0.8767
579 PAF 0.8764
580 DMV 0.8763
581 FBA 0.8763
582 94N 0.8762
583 RIP 0.8762
584 FYU 0.8761
585 6HQ 0.8761
586 SEJ 0.8757
587 PBC 0.8756
588 HPA 0.8755
589 JIF 0.8753
590 PEP 0.8751
591 PBE 0.8750
592 OEM 0.8746
593 KPL 0.8743
594 4XR 0.8740
595 F60 0.8737
596 FK1 0.8736
597 BTE 0.8730
598 KOJ 0.8721
599 BE2 0.8720
600 IP0 0.8717
601 HY1 0.8716
602 RSO 0.8715
603 VNJ 0.8711
604 4SV 0.8710
605 SS2 0.8709
606 IFM 0.8706
607 DFB 0.8706
608 AZF 0.8703
609 SRT 0.8700
610 URP 0.8700
611 2AS 0.8694
612 7WG 0.8689
613 FAN 0.8687
614 3U4 0.8686
615 9A7 0.8685
616 64K 0.8684
617 ABE 0.8684
618 1LN 0.8683
619 ES6 0.8683
620 H8N 0.8681
621 YTB 0.8680
622 271 0.8678
623 HIO 0.8677
624 ARA 0.8675
625 HMH 0.8674
626 BNS 0.8674
627 3SK 0.8673
628 FP1 0.8672
629 9EW 0.8669
630 SNE 0.8667
631 FUC 0.8658
632 ZZT 0.8656
633 TH7 0.8652
634 8EZ 0.8651
635 C2B 0.8651
636 ICF 0.8645
637 F05 0.8641
638 1DV 0.8633
639 L3Q 0.8632
640 1WD 0.8630
641 FUL 0.8628
642 261 0.8626
643 FPK 0.8625
644 MED 0.8623
645 HX3 0.8621
646 PHB 0.8620
647 OK7 0.8620
648 JKE 0.8619
649 XRG 0.8617
650 3Z7 0.8610
651 DFU 0.8609
652 PPV 0.8609
653 ARB 0.8606
654 2TQ 0.8595
655 PEL 0.8589
656 I2M 0.8587
657 F81 0.8585
658 HMU 0.8583
659 SKG 0.8580
660 24B 0.8578
661 260 0.8577
662 JZ4 0.8574
663 PEA 0.8570
664 3NT 0.8551
665 CEE 0.8546
666 FUF 0.8537
667 MXN 0.8527
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2X3J; Ligand: ATP; Similar sites found with APoc: 16
This union binding pocket(no: 1) in the query (biounit: 2x3j.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5JM8 ATP 29.1667
2 5JM8 ATP 29.1667
3 5JM8 ATP 29.1667
4 5JM8 ATP 29.1667
5 5JM8 ATP 29.1667
6 5JM8 ATP 29.1667
7 5JM8 ATP 29.1667
8 5JM8 ATP 29.1667
9 5JM8 ATP 29.1667
10 5JM8 ATP 29.1667
11 5JM8 ATP 29.1667
12 5JM8 ATP 29.1667
13 5JM8 ATP 29.1667
14 5JM8 ATP 29.1667
15 5JM8 ATP 29.1667
16 5JM8 ATP 29.1667
Pocket No.: 2; Query (leader) PDB : 2X3J; Ligand: ATP; Similar sites found with APoc: 16
This union binding pocket(no: 2) in the query (biounit: 2x3j.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5JM8 ATP 29.1667
2 5JM8 ATP 29.1667
3 5JM8 ATP 29.1667
4 5JM8 ATP 29.1667
5 5JM8 ATP 29.1667
6 5JM8 ATP 29.1667
7 5JM8 ATP 29.1667
8 5JM8 ATP 29.1667
9 5JM8 ATP 29.1667
10 5JM8 ATP 29.1667
11 5JM8 ATP 29.1667
12 5JM8 ATP 29.1667
13 5JM8 ATP 29.1667
14 5JM8 ATP 29.1667
15 5JM8 ATP 29.1667
16 5JM8 ATP 29.1667
Pocket No.: 3; Query (leader) PDB : 2X3J; Ligand: X3J; Similar sites found with APoc: 12
This union binding pocket(no: 3) in the query (biounit: 2x3j.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5JM8 ATP 29.1667
2 5JM8 ATP 29.1667
3 5JM8 ATP 29.1667
4 5JM8 ATP 29.1667
5 5JM8 ATP 29.1667
6 5JM8 ATP 29.1667
7 5JM8 ATP 29.1667
8 5JM8 ATP 29.1667
9 5JM8 ATP 29.1667
10 5JM8 ATP 29.1667
11 5JM8 ATP 29.1667
12 5JM8 ATP 29.1667
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