Receptor
PDB id Resolution Class Description Source Keywords
1I59 1.8 Å EC: 2.7.3.- STRUCTURE OF THE HISTIDINE KINASE CHEA ATP-BINDING DOMAIN IN COMPLEX WITH ADPNP AND MAGENSIUM THERMOTOGA MARITIMA BETA-ALPHA SANDWICH SIGNALING PROTEIN TRANSFERASE
Ref.: NUCLEOTIDE BINDING BY THE HISTIDINE KINASE CHEA. NAT.STRUCT.BIOL. V. 8 353 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:995;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ADP B:999;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
ANP A:998;
Valid;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
MG A:996;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1I58 1.6 Å EC: 2.7.3.- STRUCTURE OF THE HISTIDINE KINASE CHEA ATP-BINDING DOMAIN IN COMPLEX WITH ATP ANALOG ADPCP AND MAGNESIUM THERMOTOGA MARITIMA BETA-ALPHA SANDWICH SIGNALING PROTEIN TRANSFERASE
Ref.: NUCLEOTIDE BINDING BY THE HISTIDINE KINASE CHEA. NAT.STRUCT.BIOL. V. 8 353 2001
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1I5A - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 1I58 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1I59 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1I5C - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1I5B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1I5A - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 1I58 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1I59 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1I5C - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1I5B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1I5A - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 1I58 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1I59 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1I5C - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1I5B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 486
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 AQP 0.887324 1
6 5FA 0.887324 1
7 B4P 0.884058 0.971831
8 AP5 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AT4 0.84507 0.958904
11 AN2 0.84507 0.985915
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 AMP 0.823529 0.971429
15 A 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 AR6 0.810811 0.971831
19 APR 0.810811 0.971831
20 ANP 0.802632 0.972222
21 AD9 0.8 0.972222
22 AGS 0.8 0.945946
23 SAP 0.8 0.945946
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 T99 0.779221 0.958904
27 TAT 0.779221 0.958904
28 KG4 0.773333 0.945205
29 50T 0.773333 0.958333
30 45A 0.763889 0.917808
31 ABM 0.763889 0.917808
32 APC 0.763158 0.958904
33 PRX 0.763158 0.893333
34 HQG 0.7625 0.985915
35 ATF 0.759494 0.958904
36 A22 0.753086 0.985915
37 ADP MG 0.746667 0.943662
38 A12 0.743243 0.958904
39 AP2 0.743243 0.958904
40 SRA 0.736111 0.918919
41 ADQ 0.73494 0.945205
42 25L 0.732558 0.985915
43 8LE 0.725 0.894737
44 5AL 0.725 0.931507
45 2A5 0.717949 0.918919
46 AU1 0.714286 0.972222
47 A1R 0.714286 0.907895
48 A3R 0.714286 0.907895
49 APC MG 0.708861 0.917808
50 ATR 0.708861 0.971429
51 PAP 0.708861 0.985714
52 ATP MG 0.708861 0.943662
53 ADP PO3 0.708861 0.943662
54 8LH 0.707317 0.906667
55 SRP 0.707317 0.906667
56 7D3 0.706667 0.905405
57 25A 0.702381 0.971831
58 OZV 0.702381 0.971831
59 OAD 0.697674 0.945205
60 9X8 0.697674 0.92
61 8LQ 0.690476 0.906667
62 RBY 0.6875 0.932432
63 ADV 0.6875 0.932432
64 00A 0.686047 0.883117
65 5SV 0.682353 0.848101
66 OOB 0.682353 0.931507
67 8QN 0.682353 0.931507
68 BIS 0.681818 0.933333
69 3OD 0.681818 0.945205
70 ALF ADP 0.674699 0.87013
71 ADP ALF 0.674699 0.87013
72 AMO 0.674419 0.932432
73 PAJ 0.674419 0.884615
74 4AD 0.674419 0.92
75 GAP 0.670732 0.893333
76 MAP 0.670588 0.945946
77 AHX 0.666667 0.896104
78 VO4 ADP 0.666667 0.931507
79 ADP VO4 0.666667 0.931507
80 DLL 0.666667 0.931507
81 PTJ 0.662921 0.896104
82 3UK 0.659091 0.918919
83 SON 0.658228 0.932432
84 LMS 0.653333 0.82716
85 PR8 0.651685 0.85
86 LAD 0.651685 0.860759
87 B5V 0.651685 0.906667
88 WAQ 0.651685 0.883117
89 7D4 0.65 0.905405
90 ITT 0.65 0.943662
91 G5P 0.648936 0.921053
92 XYA 0.647059 0.84507
93 ADN 0.647059 0.84507
94 RAB 0.647059 0.84507
95 1ZZ 0.644444 0.839506
96 ME8 0.644444 0.839506
97 FYA 0.644444 0.905405
98 TXA 0.644444 0.932432
99 NB8 0.644444 0.896104
100 6AD 0.642857 0.909091
101 ADP BMA 0.640449 0.918919
102 G3A 0.638298 0.921053
103 DAL AMP 0.632184 0.905405
104 AFH 0.631579 0.884615
105 9SN 0.630435 0.871795
106 GTA 0.625 0.886076
107 9ZA 0.625 0.907895
108 DQV 0.625 0.958333
109 9ZD 0.625 0.907895
110 FA5 0.623656 0.906667
111 B5M 0.623656 0.894737
112 YAP 0.623656 0.894737
113 B5Y 0.623656 0.894737
114 UP5 0.622449 0.92
115 NO7 0.62069 0.932432
116 JSQ 0.619048 0.945946
117 HFD 0.619048 0.945946
118 XAH 0.617021 0.839506
119 AV2 0.616279 0.917808
120 AOC 0.615385 0.821918
121 48N 0.612245 0.896104
122 4UV 0.610526 0.894737
123 TXD 0.606061 0.907895
124 DND 0.606061 0.932432
125 NAX 0.606061 0.873418
126 6V0 0.606061 0.896104
127 NXX 0.606061 0.932432
128 NAI 0.606061 0.907895
129 5N5 0.605634 0.819444
130 5AS 0.604938 0.77907
131 A4P 0.60396 0.843373
132 DAT 0.60241 0.905405
133 A2R 0.602273 0.985915
134 OMR 0.6 0.851852
135 TXE 0.6 0.907895
136 GA7 0.597938 0.906667
137 4UU 0.597938 0.894737
138 A A 0.597826 0.944444
139 A4D 0.597222 0.819444
140 5CD 0.597222 0.805556
141 4TC 0.594059 0.896104
142 AP0 0.594059 0.896104
143 A3P 0.592593 0.971429
144 T5A 0.592233 0.841463
145 139 0.592233 0.873418
146 7D5 0.592105 0.878378
147 ATP A 0.589474 0.930556
148 ATP A A A 0.589474 0.930556
149 LAQ 0.585859 0.839506
150 MYR AMP 0.585106 0.817073
151 H1Q 0.583333 0.90411
152 F2R 0.580952 0.864198
153 YLP 0.58 0.819277
154 UPA 0.578431 0.907895
155 7DD 0.578313 0.985714
156 3AM 0.576923 0.929577
157 ADJ 0.576923 0.851852
158 NAD 0.575472 0.931507
159 COD 0.575472 0.811765
160 3AT 0.574713 0.971831
161 JB6 0.574468 0.883117
162 4UW 0.574257 0.860759
163 EP4 0.573333 0.753247
164 A2P 0.573171 0.957143
165 CNA 0.571429 0.932432
166 TYM 0.568627 0.906667
167 PPS 0.568182 0.873418
168 M2T 0.565789 0.734177
169 DTA 0.565789 0.786667
170 AR6 AR6 0.565657 0.917808
171 80F 0.564815 0.841463
172 A3D 0.564815 0.918919
173 3DH 0.564103 0.773333
174 G5A 0.563218 0.77907
175 YLB 0.563107 0.819277
176 YLC 0.563107 0.839506
177 AMP DBH 0.561224 0.893333
178 TYR AMP 0.561224 0.87013
179 MTA 0.558442 0.773333
180 DTP 0.556818 0.905405
181 AHZ 0.554455 0.817073
182 NA7 0.553191 0.958904
183 IOT 0.552381 0.831325
184 7MD 0.55 0.8625
185 ARG AMP 0.55 0.829268
186 ZAS 0.55 0.766234
187 IMO 0.548781 0.929577
188 YLA 0.54717 0.819277
189 NAE 0.544643 0.894737
190 TAD 0.544554 0.884615
191 A5A 0.544444 0.807229
192 2AM 0.544304 0.943662
193 TSB 0.543478 0.819277
194 6RE 0.54321 0.759494
195 6MZ 0.542169 0.930556
196 AYB 0.542056 0.809524
197 NAQ 0.539823 0.871795
198 V3L 0.539326 0.971831
199 SSA 0.538462 0.8
200 AF3 ADP 3PG 0.538462 0.8375
201 ZID 0.535088 0.918919
202 LPA AMP 0.533981 0.817073
203 VMS 0.532609 0.788235
204 52H 0.532609 0.77907
205 54H 0.532609 0.788235
206 BTX 0.53211 0.841463
207 A3N 0.53012 0.786667
208 J7C 0.53012 0.769231
209 5X8 0.528736 0.763158
210 BT5 0.527273 0.831325
211 8X1 0.526882 0.752809
212 53H 0.526882 0.77907
213 5CA 0.526882 0.8
214 ARU 0.526316 0.860759
215 EAD 0.525862 0.873418
216 RGT 0.525253 0.958904
217 OVE 0.52439 0.905405
218 S4M 0.52381 0.666667
219 7DT 0.522727 0.985714
220 DDS 0.522222 0.878378
221 GDP 0.522222 0.92
222 AVV 0.521277 0.896104
223 NDE 0.521008 0.932432
224 7MC 0.518868 0.841463
225 DSH 0.518072 0.725
226 MAO 0.517647 0.759036
227 DSZ 0.515789 0.8
228 LSS 0.515789 0.761364
229 NSS 0.515789 0.8
230 P5A 0.515464 0.744444
231 DZD 0.513514 0.884615
232 NVA LMS 0.510417 0.752809
233 9K8 0.510204 0.714286
234 12D 0.509615 0.785714
235 M24 0.508772 0.85
236 YLY 0.508772 0.809524
237 P1H 0.508333 0.851852
238 5AD 0.506849 0.746479
239 GJV 0.505882 0.75
240 LEU LMS 0.505155 0.752809
241 AMP NAD 0.504505 0.905405
242 G A A A 0.504505 0.871795
243 4TA 0.504505 0.807229
244 NAJ PZO 0.504425 0.848101
245 GSU 0.5 0.77907
246 128 0.5 0.776471
247 KAA 0.5 0.752809
248 A3G 0.5 0.8
249 NDC 0.5 0.871795
250 7D7 0.5 0.743243
251 71V 0.5 0.907895
252 N0B 0.495726 0.819277
253 NJP 0.495495 0.945946
254 ODP 0.495495 0.909091
255 2SA 0.494624 0.932432
256 6C6 0.494505 0.881579
257 SFG 0.494382 0.75
258 0WD 0.491071 0.921053
259 B1U 0.490196 0.736264
260 YSA 0.490196 0.77907
261 LQJ 0.490196 0.917808
262 PO4 PO4 A A A A PO4 0.489796 0.902778
263 SAM 0.48913 0.690476
264 6IA 0.48913 0.8375
265 A7D 0.488636 0.776316
266 6FA 0.488 0.841463
267 FB0 0.487805 0.804598
268 NAJ PYZ 0.487179 0.807229
269 J4G 0.484848 0.92
270 IDP 0.483516 0.918919
271 A5D 0.483516 0.786667
272 SA8 0.483516 0.707317
273 PGS 0.483146 0.883117
274 MHZ 0.483146 0.697674
275 NEC 0.482353 0.746667
276 DA 0.482353 0.878378
277 D5M 0.482353 0.878378
278 NIA 0.481928 0.822785
279 Y3J 0.480519 0.726027
280 8PZ 0.480392 0.8
281 FAS 0.480315 0.851852
282 FAD 0.480315 0.851852
283 FDA 0.48 0.833333
284 N6P 0.479592 0.915493
285 GGZ 0.479167 0.825
286 SAI 0.478261 0.734177
287 U A 0.478261 0.907895
288 SAH 0.478261 0.74359
289 A G 0.477876 0.883117
290 NPW 0.477477 0.886076
291 NDP 0.477477 0.921053
292 AAM 0.476744 0.971429
293 AMZ 0.47561 0.916667
294 C2R 0.47561 0.90411
295 A A A 0.474747 0.905405
296 U A G G 0.473684 0.883117
297 SMM 0.473684 0.686047
298 GTP 0.473684 0.92
299 NZQ 0.473214 0.909091
300 TXP 0.473214 0.921053
301 A3S 0.47191 0.810811
302 SFD 0.46875 0.734043
303 AIR 0.468354 0.901408
304 EEM 0.468085 0.690476
305 AAT 0.468085 0.707317
306 7C5 0.466667 0.818182
307 J7V 0.466667 0.833333
308 Z5A 0.466667 0.77907
309 62F 0.465649 0.8625
310 N5O 0.465116 0.763158
311 HDV 0.463158 0.893333
312 KOY 0.462963 0.802632
313 FAY 0.462121 0.8625
314 ETB 0.461538 0.833333
315 A3T 0.461538 0.821918
316 DCA 0.461538 0.823529
317 A6D 0.46 0.722892
318 A U 0.459459 0.87013
319 6K6 0.459184 0.930556
320 GEK 0.459184 0.7375
321 RFL 0.458647 0.821429
322 S7M 0.458333 0.690476
323 NAP 0.458333 0.945205
324 4YB 0.457944 0.761364
325 N5A 0.454545 0.736842
326 WSA 0.454545 0.788235
327 TAP 0.454545 0.907895
328 FNK 0.454545 0.804598
329 0T1 0.453782 0.823529
330 COA 0.453782 0.823529
331 101 0.453488 0.878378
332 XNP 0.452174 0.873418
333 NA0 0.45082 0.932432
334 7RP 0.448276 0.928571
335 GP3 0.446809 0.921053
336 TM1 0.446602 0.77381
337 APU 0.446429 0.894737
338 PUA 0.445378 0.884615
339 V1N 0.443396 0.917808
340 7RA 0.443182 0.957747
341 COS 0.442623 0.804598
342 30N 0.442623 0.752688
343 CAO 0.442623 0.795455
344 AMX 0.442623 0.833333
345 QQY 0.44186 0.815789
346 ACK 0.44186 0.861111
347 649 0.441441 0.744444
348 0UM 0.44 0.698795
349 NHD 0.439655 0.905405
350 SCO 0.439024 0.823529
351 CMX 0.439024 0.823529
352 GCP 0.438776 0.896104
353 8BR 0.438202 0.906667
354 8Q2 0.4375 0.772727
355 GNH 0.4375 0.907895
356 3AD 0.4375 0.805556
357 NVA 2AD 0.43617 0.759494
358 62X 0.435644 0.666667
359 FCX 0.435484 0.795455
360 ACO 0.435484 0.795455
361 FAM 0.435484 0.804598
362 9JJ 0.434783 0.8625
363 9GM 0.434343 0.896104
364 GNP 0.434343 0.896104
365 NMX 0.433071 0.76087
366 MGP 0.43299 0.884615
367 26A 0.432099 0.763158
368 HAX 0.432 0.804598
369 K15 0.431373 0.682353
370 9BG 0.431034 0.896104
371 1DG 0.430894 0.921053
372 DG1 0.430894 0.921053
373 QQX 0.430233 0.805195
374 2VA 0.430108 0.8
375 S8M 0.43 0.759494
376 2MC 0.429688 0.769231
377 6G0 0.428571 0.884615
378 3KK 0.428571 0.804598
379 FYN 0.428571 0.823529
380 A C A C 0.428571 0.848101
381 P5F 0.428571 0.823529
382 KGA 0.427481 0.744681
383 7L1 0.427419 0.795455
384 FAI 0.426966 0.916667
385 AS 0.426966 0.833333
386 RMB 0.426966 0.873239
387 KGJ 0.426357 0.752688
388 1RB 0.425287 0.885714
389 KGP 0.425197 0.729167
390 OXK 0.425197 0.804598
391 CA6 0.425197 0.729167
392 MCD 0.425197 0.804598
393 SOP 0.425197 0.804598
394 COK 0.425197 0.804598
395 YZS 0.425197 0.729167
396 G1R 0.424242 0.907895
397 CC5 0.423077 0.816901
398 SXZ 0.423077 0.710843
399 F2N 0.422535 0.813953
400 EO7 0.422222 0.788235
401 ANZ 0.422018 0.8
402 CMC 0.421875 0.804598
403 1VU 0.421875 0.795455
404 CO6 0.421875 0.804598
405 ZDA 0.421053 0.864865
406 GDD 0.420561 0.884615
407 GKE 0.420561 0.884615
408 GDC 0.420561 0.884615
409 NFD 0.420168 0.883117
410 D3Y 0.42 0.789474
411 GSP 0.42 0.873418
412 MC4 0.419847 0.76087
413 3D1 0.419753 0.773333
414 3L1 0.419753 0.773333
415 FA9 0.41958 0.864198
416 5GP 0.419355 0.906667
417 G 0.419355 0.906667
418 KB1 0.419048 0.698795
419 SCD 0.418605 0.823529
420 CAJ 0.418605 0.804598
421 2BA 0.417582 0.915493
422 CMP 0.417582 0.901408
423 KFV 0.416667 0.736842
424 VRT 0.416667 0.769231
425 SO8 0.416667 0.789474
426 N01 0.416667 0.905405
427 IVC 0.415385 0.813953
428 A1S 0.415385 0.804598
429 1HE 0.415385 0.786517
430 BCO 0.415385 0.804598
431 MLC 0.415385 0.804598
432 3HC 0.415385 0.813953
433 NMN AMP PO4 0.415254 0.87013
434 2FA 0.414634 0.813333
435 MGO 0.414141 0.860759
436 3NZ 0.413462 0.782051
437 LCV 0.412214 0.721649
438 MCA 0.412214 0.795455
439 SO5 0.412214 0.721649
440 CAA 0.412214 0.813953
441 YE1 0.412214 0.813953
442 COO 0.412214 0.804598
443 GAV 0.411765 0.884615
444 PRT 0.411215 0.931507
445 JLN 0.411111 0.890411
446 P2P 0.411111 0.902778
447 OZP 0.410714 0.728395
448 ZZB 0.410256 0.77381
449 YXR 0.409091 0.729167
450 RP1 0.409091 0.842105
451 SCA 0.409091 0.804598
452 YXS 0.409091 0.729167
453 103 0.409091 0.837838
454 SP1 0.409091 0.842105
455 2CP 0.409091 0.795455
456 PAX 0.408 0.829268
457 FAD NBT 0.407143 0.75
458 2KQ 0.406015 0.786517
459 HGG 0.406015 0.804598
460 CA8 0.406015 0.729167
461 IRC 0.406015 0.813953
462 COF 0.406015 0.786517
463 1GZ 0.406015 0.795455
464 COW 0.406015 0.795455
465 3CP 0.406015 0.804598
466 BYC 0.406015 0.804598
467 G2P 0.405941 0.884615
468 U A C C 0.404959 0.858974
469 SLU 0.404959 0.770115
470 RBZ 0.404494 0.849315
471 1CZ 0.404412 0.795455
472 COA FLC 0.403226 0.790698
473 BCA 0.402985 0.795455
474 FAQ 0.402985 0.804598
475 4CA 0.402985 0.795455
476 MTP 0.402439 0.730769
477 8OD 0.402062 0.945205
478 HZ2 0.401786 0.731707
479 CO7 0.401515 0.804598
480 GMV 0.4 0.896104
481 HXC 0.4 0.786517
482 G2R 0.4 0.884615
483 HF7 0.4 0.893333
484 ENQ 0.4 0.916667
485 GRA 0.4 0.804598
486 CNV FAD 0.4 0.8
Ligand no: 2; Ligand: ANP; Similar ligands found: 397
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 AP5 0.802632 0.945205
4 B4P 0.802632 0.945205
5 ADP 0.802632 0.972222
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 ATP 0.772152 0.972222
9 HEJ 0.772152 0.972222
10 AN2 0.769231 0.986111
11 AT4 0.769231 0.933333
12 5FA 0.7625 0.972222
13 AQP 0.7625 0.972222
14 M33 0.759494 0.932432
15 MAP 0.752941 0.972973
16 ACP 0.75 0.945946
17 AR6 0.740741 0.945205
18 APR 0.740741 0.945205
19 ACQ 0.73494 0.945946
20 SAP 0.731707 0.921053
21 AD9 0.731707 0.945946
22 AGS 0.731707 0.921053
23 KG4 0.728395 0.92
24 AMP 0.723684 0.944444
25 A 0.723684 0.944444
26 ATF 0.717647 0.933333
27 ADX 0.716049 0.851852
28 CA0 0.716049 0.92
29 6YZ 0.709302 0.945946
30 50T 0.707317 0.932432
31 PRX 0.698795 0.87013
32 45A 0.696203 0.893333
33 ABM 0.696203 0.893333
34 HQG 0.681818 0.958904
35 AP2 0.679012 0.933333
36 A12 0.679012 0.933333
37 APC 0.678571 0.933333
38 T99 0.674419 0.933333
39 TAT 0.674419 0.933333
40 A22 0.674157 0.958904
41 SRA 0.670886 0.894737
42 SRP 0.670455 0.883117
43 8LE 0.666667 0.871795
44 5AL 0.666667 0.906667
45 ADP MG 0.662651 0.917808
46 A1R 0.659341 0.884615
47 ADQ 0.659341 0.92
48 A3R 0.659341 0.884615
49 8LH 0.651685 0.883117
50 BIS 0.648936 0.909091
51 3OD 0.648936 0.92
52 5SV 0.648352 0.82716
53 9X8 0.645161 0.896104
54 OAD 0.645161 0.92
55 25L 0.642105 0.958904
56 AMO 0.641304 0.907895
57 8LQ 0.637363 0.883117
58 G5P 0.636364 0.897436
59 00A 0.634409 0.860759
60 DLL 0.634409 0.906667
61 AHX 0.634409 0.897436
62 APC MG 0.632184 0.893333
63 ATP MG 0.632184 0.917808
64 ADV 0.632184 0.907895
65 ADP PO3 0.632184 0.917808
66 RBY 0.632184 0.907895
67 NB8 0.631579 0.897436
68 25A 0.630435 0.945205
69 8QN 0.630435 0.906667
70 OZV 0.630435 0.945205
71 OOB 0.630435 0.906667
72 G3A 0.626263 0.897436
73 PAJ 0.623656 0.8625
74 4AD 0.623656 0.896104
75 LAD 0.621053 0.839506
76 1ZZ 0.614583 0.819277
77 TXA 0.614583 0.907895
78 ME8 0.614583 0.819277
79 GTA 0.613861 0.864198
80 9ZA 0.612903 0.909091
81 9ZD 0.612903 0.909091
82 3UK 0.610526 0.894737
83 SON 0.604651 0.907895
84 ADP ALF 0.604396 0.848101
85 ALF ADP 0.604396 0.848101
86 PR8 0.604167 0.829268
87 B5V 0.604167 0.883117
88 WAQ 0.604167 0.860759
89 4UV 0.6 0.871795
90 GAP 0.6 0.87013
91 PTJ 0.597938 0.873418
92 FYA 0.597938 0.881579
93 ADP VO4 0.597826 0.906667
94 VO4 ADP 0.597826 0.906667
95 LMS 0.597561 0.829268
96 UP5 0.596154 0.896104
97 FA5 0.59596 0.883117
98 YAP 0.59596 0.871795
99 PAP 0.595506 0.958333
100 A4P 0.59434 0.823529
101 XAH 0.59 0.841463
102 4UU 0.588235 0.871795
103 AFH 0.588235 0.8625
104 9SN 0.585859 0.85
105 2A5 0.58427 0.894737
106 T5A 0.583333 0.821429
107 DQV 0.582524 0.932432
108 NAI 0.580952 0.884615
109 B5Y 0.58 0.871795
110 B5M 0.58 0.871795
111 ITT 0.579545 0.917808
112 ATR 0.577778 0.944444
113 OMR 0.575472 0.831325
114 5AS 0.574713 0.781609
115 48N 0.571429 0.873418
116 YLP 0.571429 0.8
117 AP0 0.570093 0.873418
118 4TC 0.570093 0.873418
119 7D3 0.569767 0.881579
120 ADJ 0.568807 0.831325
121 9GM 0.568421 0.922078
122 GNP 0.568421 0.922078
123 DAL AMP 0.568421 0.881579
124 NAX 0.566038 0.851852
125 4UW 0.566038 0.839506
126 TXD 0.566038 0.884615
127 NXX 0.566038 0.907895
128 DND 0.566038 0.907895
129 6V0 0.566038 0.873418
130 RAB 0.565789 0.821918
131 ADN 0.565789 0.821918
132 XYA 0.565789 0.821918
133 AOC 0.564706 0.8
134 7D4 0.561798 0.881579
135 ADP BMA 0.561224 0.894737
136 TYM 0.560748 0.883117
137 TXE 0.560748 0.884615
138 GA7 0.557692 0.883117
139 YLB 0.555556 0.8
140 YLC 0.555556 0.819277
141 139 0.554545 0.851852
142 5N5 0.551282 0.797297
143 JB6 0.55 0.860759
144 LAQ 0.54717 0.819277
145 F2R 0.544643 0.843373
146 MYR AMP 0.544554 0.797619
147 A4D 0.544304 0.797297
148 5CD 0.544304 0.783784
149 80F 0.54386 0.821429
150 7MD 0.542857 0.864198
151 6AD 0.542553 0.886076
152 A2R 0.541667 0.958904
153 UPA 0.541284 0.884615
154 YLA 0.540541 0.8
155 A A 0.54 0.918919
156 COD 0.539823 0.793103
157 BTX 0.539823 0.821429
158 JSQ 0.537634 0.921053
159 G5A 0.537634 0.781609
160 HFD 0.537634 0.921053
161 AYB 0.535714 0.790698
162 CNA 0.535714 0.907895
163 3DH 0.535714 0.753247
164 BT5 0.535088 0.811765
165 ATP A 0.533981 0.905405
166 ATP A A A 0.533981 0.905405
167 IOT 0.531532 0.811765
168 MTA 0.53012 0.753247
169 3AM 0.529412 0.90411
170 A3P 0.52809 0.944444
171 NAD 0.526316 0.906667
172 PPS 0.526316 0.851852
173 NO7 0.525773 0.907895
174 EP4 0.52439 0.734177
175 AMP DBH 0.52381 0.87013
176 7D5 0.52381 0.855263
177 J7C 0.522727 0.75
178 H1Q 0.521739 0.88
179 A5A 0.520833 0.809524
180 EAD 0.520661 0.851852
181 TSB 0.520408 0.821429
182 AHZ 0.518519 0.797619
183 M2T 0.518072 0.716049
184 DTA 0.518072 0.766234
185 6RE 0.517241 0.740741
186 A3D 0.517241 0.894737
187 YLY 0.516949 0.790698
188 SSA 0.515464 0.802326
189 NA7 0.514852 0.933333
190 ARG AMP 0.514019 0.809524
191 AR6 AR6 0.514019 0.893333
192 7MC 0.513514 0.843373
193 A2P 0.511111 0.930556
194 52H 0.510204 0.781609
195 VMS 0.510204 0.790698
196 54H 0.510204 0.790698
197 TYR AMP 0.509434 0.848101
198 TAD 0.509259 0.8625
199 NAQ 0.508333 0.85
200 A3N 0.505618 0.766234
201 AV2 0.505155 0.893333
202 53H 0.50505 0.781609
203 5CA 0.50505 0.802326
204 8X1 0.50505 0.755556
205 ARU 0.504951 0.839506
206 ZID 0.504132 0.894737
207 P1H 0.504 0.831325
208 AVV 0.5 0.873418
209 3AT 0.5 0.945205
210 NAE 0.5 0.871795
211 6MZ 0.5 0.905405
212 P5A 0.495146 0.747253
213 LSS 0.49505 0.764045
214 NSS 0.49505 0.802326
215 DSZ 0.49505 0.802326
216 N0B 0.491803 0.8
217 AF3 ADP 3PG 0.491071 0.817073
218 NVA LMS 0.490196 0.755556
219 DAT 0.489362 0.881579
220 IMO 0.488889 0.90411
221 ZAS 0.488636 0.792208
222 FDA 0.488372 0.813953
223 NAJ PZO 0.487395 0.85
224 4TA 0.487179 0.788235
225 LPA AMP 0.486486 0.797619
226 LEU LMS 0.485437 0.755556
227 DTP 0.484536 0.881579
228 V3L 0.484536 0.945205
229 GJV 0.483516 0.731707
230 S4M 0.483516 0.651685
231 DZD 0.483051 0.8625
232 2AM 0.482759 0.917808
233 5AD 0.481013 0.726027
234 GSU 0.480769 0.781609
235 KAA 0.480769 0.755556
236 NDE 0.480315 0.907895
237 M24 0.479339 0.851852
238 MAO 0.478261 0.761905
239 NEC 0.477778 0.727273
240 DSH 0.477778 0.707317
241 FAS 0.477273 0.831325
242 FAD 0.477273 0.831325
243 RGT 0.476636 0.933333
244 9K8 0.47619 0.698925
245 G A A A 0.474576 0.85
246 0WD 0.474576 0.897436
247 FNK 0.474074 0.786517
248 5X8 0.473684 0.74359
249 6FA 0.473282 0.821429
250 NDC 0.472868 0.85
251 FB0 0.472868 0.786517
252 YSA 0.472222 0.781609
253 7DD 0.468085 0.958333
254 OVE 0.466667 0.881579
255 MHZ 0.463158 0.701149
256 8PZ 0.462963 0.802326
257 AMP NAD 0.462185 0.881579
258 A G 0.462185 0.860759
259 N5O 0.461538 0.74359
260 A3G 0.461538 0.779221
261 NAJ PYZ 0.459677 0.809524
262 6C6 0.459184 0.858974
263 LQJ 0.458716 0.893333
264 B1U 0.458716 0.758242
265 SFG 0.458333 0.730769
266 U A G G 0.458333 0.860759
267 7D7 0.45679 0.723684
268 128 0.45614 0.8
269 SFD 0.455224 0.736842
270 6IA 0.454545 0.817073
271 DDS 0.454545 0.855263
272 GDP 0.454545 0.896104
273 ODP 0.453782 0.886076
274 NJP 0.453782 0.921053
275 7DT 0.453608 0.958333
276 J4G 0.45283 0.896104
277 A7D 0.452632 0.75641
278 Z5A 0.452381 0.802326
279 WSA 0.452174 0.790698
280 N5A 0.451613 0.717949
281 U A 0.45082 0.884615
282 7C5 0.45045 0.797468
283 FAY 0.449275 0.841463
284 NDP 0.449153 0.897436
285 SA8 0.44898 0.690476
286 A5D 0.44898 0.766234
287 71V 0.446809 0.884615
288 GGZ 0.446602 0.804878
289 RFL 0.446043 0.802326
290 2SA 0.445545 0.907895
291 SAI 0.444444 0.716049
292 SAH 0.444444 0.725
293 GP3 0.444444 0.897436
294 A A A 0.443396 0.881579
295 PO4 PO4 A A A A PO4 0.443396 0.878378
296 4YB 0.442478 0.764045
297 S7M 0.441176 0.674419
298 GTP 0.441176 0.896104
299 SMM 0.441176 0.670455
300 Y3J 0.440476 0.706667
301 SAM 0.44 0.674419
302 649 0.439655 0.747253
303 12D 0.438596 0.809524
304 A3S 0.4375 0.789474
305 NPW 0.436975 0.864198
306 GCP 0.436893 0.873418
307 EEM 0.435644 0.674419
308 GNH 0.435644 0.909091
309 AAT 0.435644 0.690476
310 ETB 0.435484 0.813953
311 DCA 0.435484 0.804598
312 KOY 0.434783 0.782051
313 N6P 0.433962 0.890411
314 TXP 0.433333 0.897436
315 NZQ 0.433333 0.886076
316 PGS 0.43299 0.860759
317 APU 0.432203 0.871795
318 PUA 0.432 0.8625
319 62F 0.431655 0.841463
320 F2N 0.431507 0.795455
321 DA 0.430108 0.855263
322 D5M 0.430108 0.855263
323 J7V 0.429688 0.813953
324 A3T 0.428571 0.8
325 6K6 0.428571 0.905405
326 NIA 0.428571 0.848101
327 0T1 0.428571 0.804598
328 COA 0.428571 0.804598
329 P5F 0.427586 0.804598
330 AAM 0.425532 0.944444
331 0UM 0.424528 0.682353
332 8Q2 0.423729 0.775281
333 G1R 0.423077 0.884615
334 C2R 0.422222 0.88
335 AMZ 0.422222 0.891892
336 A U 0.420168 0.848101
337 IDP 0.42 0.894737
338 GSP 0.419048 0.851852
339 CAO 0.418605 0.777778
340 1DG 0.418605 0.897436
341 AMX 0.418605 0.813953
342 COS 0.418605 0.786517
343 30N 0.418605 0.736842
344 DG1 0.418605 0.897436
345 TM1 0.418182 0.797619
346 9BG 0.418033 0.873418
347 A6D 0.416667 0.746988
348 K15 0.416667 0.666667
349 V1N 0.415929 0.893333
350 CMX 0.415385 0.804598
351 SCO 0.415385 0.804598
352 GEK 0.415094 0.719512
353 NHD 0.414634 0.881579
354 XNP 0.414634 0.851852
355 AIR 0.413793 0.876712
356 9JJ 0.413793 0.841463
357 COK 0.413534 0.786517
358 G2R 0.412844 0.8625
359 ACO 0.412214 0.777778
360 FCX 0.412214 0.777778
361 FAM 0.412214 0.786517
362 NAP 0.410853 0.92
363 FA9 0.409396 0.843373
364 SXZ 0.409091 0.694118
365 HAX 0.409091 0.806818
366 TAP 0.407692 0.884615
367 62X 0.407407 0.651685
368 2MC 0.407407 0.752688
369 GKE 0.40708 0.8625
370 GDD 0.40708 0.8625
371 GDC 0.40708 0.8625
372 FYN 0.406015 0.804598
373 3KK 0.406015 0.786517
374 NVA 2AD 0.405941 0.740741
375 NA0 0.40458 0.907895
376 101 0.404255 0.855263
377 5GP 0.40404 0.883117
378 G 0.40404 0.883117
379 HDV 0.403846 0.87013
380 MGP 0.403846 0.8625
381 SOP 0.402985 0.786517
382 OXK 0.402985 0.786517
383 MCD 0.402985 0.786517
384 CA6 0.402985 0.714286
385 YZS 0.402985 0.714286
386 KGP 0.402985 0.714286
387 3AD 0.402299 0.783784
388 S8M 0.401869 0.78481
389 YE1 0.40146 0.795455
390 1VU 0.4 0.777778
391 6G0 0.4 0.8625
392 GMV 0.4 0.873418
393 CMC 0.4 0.786517
394 2VA 0.4 0.779221
395 NMX 0.4 0.782609
396 CO6 0.4 0.786517
397 7RP 0.4 0.902778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1I58; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1i58.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1I58; Ligand: ACP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1i58.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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