Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACP A:998;
Valid;
none;
submit data
505.208 C11 H18 N5 O12 P3 c1nc(...
ACT A:995;
B:994;
Invalid;
Invalid;
none;
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(...
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: ACP; Similar ligands found: 391
No: Ligand ECFP6 Tc MDL keys Tc
1 ACP 1 1
2 ACQ 0.866667 1
3 A2D 0.857143 0.945205
4 BA3 0.833333 0.945205
5 6YZ 0.833333 1
6 B4P 0.821918 0.945205
7 AP5 0.821918 0.945205
8 ADP 0.821918 0.972222
9 AT4 0.810811 0.933333
10 AN2 0.810811 0.958904
11 A12 0.808219 0.986301
12 AP2 0.808219 0.986301
13 M33 0.8 0.932432
14 HEJ 0.789474 0.972222
15 ATP 0.789474 0.972222
16 AQP 0.779221 0.972222
17 5FA 0.779221 0.972222
18 AR6 0.779221 0.945205
19 APR 0.779221 0.945205
20 AGS 0.769231 0.921053
21 AD9 0.769231 0.945946
22 SAP 0.769231 0.921053
23 AMP 0.763889 0.944444
24 A 0.763889 0.944444
25 APC 0.75641 0.986301
26 ADX 0.753247 0.851852
27 CA0 0.753247 0.92
28 ANP 0.75 0.945946
29 50T 0.74359 0.932432
30 KG4 0.74359 0.92
31 PRX 0.734177 0.87013
32 45A 0.733333 0.893333
33 ABM 0.733333 0.893333
34 ATF 0.731707 0.933333
35 HQG 0.714286 0.958904
36 SRA 0.706667 0.894737
37 A22 0.705882 0.958904
38 RBY 0.703704 0.959459
39 ADV 0.703704 0.959459
40 8LE 0.698795 0.871795
41 5AL 0.698795 0.906667
42 ADP MG 0.696203 0.917808
43 ADQ 0.689655 0.92
44 A1R 0.689655 0.909091
45 A3R 0.689655 0.909091
46 AU1 0.6875 0.945946
47 T99 0.686747 0.933333
48 TAT 0.686747 0.933333
49 APC MG 0.682927 0.918919
50 SRP 0.682353 0.907895
51 8LH 0.682353 0.883117
52 9X8 0.674157 0.896104
53 OAD 0.674157 0.92
54 4TC 0.673469 0.922078
55 4AD 0.670455 0.921053
56 AMO 0.670455 0.933333
57 8LQ 0.666667 0.907895
58 00A 0.662921 0.860759
59 ATP MG 0.662651 0.917808
60 ADP PO3 0.662651 0.917808
61 BIS 0.659341 0.909091
62 3OD 0.659341 0.92
63 OZV 0.659091 0.945205
64 25A 0.659091 0.945205
65 OOB 0.659091 0.906667
66 8QN 0.659091 0.906667
67 5SV 0.659091 0.82716
68 SON 0.654321 0.933333
69 25L 0.652174 0.958904
70 PAJ 0.651685 0.8625
71 DLL 0.644444 0.906667
72 AHX 0.644444 0.897436
73 TXA 0.641304 0.907895
74 3UK 0.637363 0.894737
75 ADP ALF 0.632184 0.848101
76 ALF ADP 0.632184 0.848101
77 B5V 0.630435 0.883117
78 PR8 0.630435 0.851852
79 WAQ 0.630435 0.884615
80 LAD 0.630435 0.8625
81 MAP 0.629214 0.921053
82 LMS 0.628205 0.807229
83 GAP 0.627907 0.87013
84 ADP VO4 0.625 0.906667
85 VO4 ADP 0.625 0.906667
86 PTJ 0.623656 0.873418
87 ME8 0.623656 0.841463
88 NB8 0.623656 0.897436
89 FYA 0.623656 0.906667
90 1ZZ 0.623656 0.819277
91 UP5 0.62 0.896104
92 G3A 0.618557 0.897436
93 G5P 0.612245 0.897436
94 AFH 0.612245 0.886076
95 9SN 0.610526 0.85
96 GTA 0.606061 0.864198
97 DQV 0.606061 0.932432
98 9ZA 0.604396 0.884615
99 9ZD 0.604396 0.884615
100 YAP 0.604167 0.896104
101 B5M 0.604167 0.871795
102 FA5 0.604167 0.907895
103 B5Y 0.604167 0.871795
104 TXD 0.60396 0.884615
105 XAH 0.597938 0.841463
106 RAB 0.597222 0.821918
107 ADN 0.597222 0.821918
108 XYA 0.597222 0.821918
109 GA7 0.59596 0.907895
110 48N 0.594059 0.897436
111 DAL AMP 0.593407 0.881579
112 2A5 0.593023 0.92
113 AOC 0.592593 0.8
114 4UV 0.591837 0.871795
115 NAI 0.588235 0.884615
116 DND 0.588235 0.907895
117 NXX 0.588235 0.907895
118 NAX 0.588235 0.875
119 6V0 0.588235 0.873418
120 ATR 0.586207 0.944444
121 PAP 0.586207 0.958333
122 ADP BMA 0.585106 0.894737
123 LAQ 0.584158 0.819277
124 5AS 0.583333 0.761364
125 OMR 0.582524 0.831325
126 TXE 0.582524 0.884615
127 5N5 0.581081 0.797297
128 4UU 0.58 0.871795
129 A A 0.578947 0.918919
130 7D3 0.578313 0.881579
131 AP0 0.576923 0.873418
132 5CD 0.573333 0.783784
133 A4D 0.573333 0.797297
134 JB6 0.572917 0.884615
135 4UW 0.572816 0.839506
136 A4P 0.571429 0.823529
137 CNA 0.570093 0.907895
138 7D4 0.569767 0.881579
139 ITT 0.569767 0.917808
140 A2R 0.565217 0.958904
141 M2T 0.564103 0.716049
142 YLP 0.563107 0.821429
143 139 0.560748 0.851852
144 ADJ 0.560748 0.831325
145 T5A 0.560748 0.843373
146 TAD 0.558824 0.910256
147 ATP A 0.555556 0.905405
148 ATP A A A 0.555556 0.905405
149 A3P 0.552941 0.944444
150 TYM 0.552381 0.907895
151 IOT 0.551402 0.833333
152 EP4 0.551282 0.734177
153 MYR AMP 0.55102 0.797619
154 F2R 0.550459 0.865854
155 7D5 0.55 0.855263
156 A3D 0.54955 0.894737
157 80F 0.54955 0.843373
158 GCP 0.548387 0.922078
159 YLB 0.54717 0.821429
160 YLC 0.54717 0.841463
161 UPA 0.54717 0.884615
162 NAD 0.545455 0.906667
163 H1Q 0.545455 0.88
164 COD 0.545455 0.813953
165 JSQ 0.544444 0.921053
166 HFD 0.544444 0.921053
167 G5A 0.544444 0.781609
168 DTA 0.544304 0.766234
169 3DH 0.54321 0.753247
170 DZD 0.540541 0.910256
171 AHZ 0.538462 0.797619
172 MTA 0.5375 0.753247
173 3AM 0.536585 0.90411
174 A2P 0.534884 0.930556
175 AR6 AR6 0.533981 0.893333
176 PPS 0.532609 0.851852
177 6AD 0.532609 0.886076
178 YLA 0.53211 0.821429
179 AMP DBH 0.529412 0.87013
180 TYR AMP 0.529412 0.871795
181 AYB 0.527273 0.811765
182 A5A 0.526882 0.788235
183 TSB 0.526316 0.8
184 6RE 0.52381 0.7625
185 S4M 0.523256 0.670455
186 SSA 0.521277 0.802326
187 NA7 0.520408 0.959459
188 ARG AMP 0.519231 0.831325
189 7MD 0.519231 0.864198
190 LPA AMP 0.518868 0.797619
191 BTX 0.517857 0.843373
192 NAE 0.517241 0.871795
193 NO7 0.515789 0.907895
194 VMS 0.515789 0.770115
195 52H 0.515789 0.761364
196 54H 0.515789 0.770115
197 BT5 0.513274 0.833333
198 NAQ 0.512821 0.85
199 ZAS 0.511905 0.746835
200 IMO 0.511628 0.90411
201 J7C 0.511628 0.772152
202 A3N 0.511628 0.766234
203 AV2 0.510638 0.893333
204 53H 0.510417 0.761364
205 8X1 0.510417 0.755556
206 5CA 0.510417 0.802326
207 ARU 0.510204 0.839506
208 AF3 ADP 3PG 0.509259 0.839506
209 M24 0.508621 0.829268
210 ZID 0.508475 0.894737
211 2AM 0.506024 0.917808
212 6MZ 0.505747 0.905405
213 3AT 0.505376 0.972222
214 V3L 0.505376 0.945205
215 AVV 0.505155 0.897436
216 NSS 0.5 0.802326
217 MAO 0.5 0.761905
218 P5A 0.5 0.747253
219 EAD 0.5 0.851852
220 DSH 0.5 0.728395
221 DSZ 0.5 0.802326
222 LSS 0.5 0.764045
223 YLY 0.495726 0.811765
224 9K8 0.49505 0.698925
225 NVA LMS 0.494949 0.755556
226 DAT 0.494505 0.906667
227 5X8 0.494505 0.766234
228 AMP NAD 0.491228 0.881579
229 7MC 0.490909 0.843373
230 LEU LMS 0.49 0.755556
231 SMM 0.489583 0.689655
232 SAM 0.489362 0.694118
233 DTP 0.489362 0.906667
234 7DD 0.488889 0.958333
235 GJV 0.488636 0.753086
236 OVE 0.488372 0.881579
237 5AD 0.486842 0.726027
238 KAA 0.485149 0.755556
239 GSU 0.485149 0.781609
240 NDE 0.483871 0.907895
241 P1H 0.483871 0.831325
242 N0B 0.483333 0.821429
243 A3G 0.482759 0.802632
244 NAJ PZO 0.478632 0.82716
245 4TA 0.478261 0.809524
246 SFG 0.478261 0.753247
247 YSA 0.47619 0.781609
248 FB0 0.47619 0.827586
249 NDC 0.47619 0.85
250 7DT 0.473118 0.958333
251 A7D 0.472527 0.779221
252 J4G 0.470588 0.921053
253 NJP 0.469565 0.921053
254 FDA 0.46875 0.835294
255 SA8 0.468085 0.710843
256 A5D 0.468085 0.766234
257 MHZ 0.467391 0.701149
258 8PZ 0.466667 0.802326
259 71V 0.466667 0.884615
260 G A A A 0.465517 0.85
261 0WD 0.465517 0.897436
262 6FA 0.465116 0.843373
263 GGZ 0.464646 0.804878
264 SAH 0.463158 0.746835
265 6C6 0.463158 0.883117
266 SAI 0.463158 0.7375
267 NAJ PYZ 0.46281 0.788235
268 Y3J 0.4625 0.706667
269 B1U 0.462264 0.72043
270 LQJ 0.462264 0.893333
271 7D7 0.461538 0.723684
272 TXP 0.46087 0.897436
273 PO4 PO4 A A A A PO4 0.460784 0.878378
274 S7M 0.459184 0.694118
275 DDS 0.458333 0.855263
276 6IA 0.458333 0.839506
277 FAD 0.458015 0.853659
278 FAS 0.458015 0.853659
279 SFD 0.458015 0.736842
280 ODP 0.456897 0.886076
281 A3S 0.456522 0.813333
282 U A 0.453782 0.884615
283 7C5 0.453704 0.797468
284 EEM 0.453608 0.694118
285 AAT 0.453608 0.710843
286 A G 0.452991 0.860759
287 RGT 0.45283 0.933333
288 NPW 0.452174 0.8875
289 NDP 0.452174 0.897436
290 FAY 0.451852 0.864198
291 PGS 0.451613 0.860759
292 KOY 0.45045 0.782051
293 NEC 0.449438 0.727273
294 DA 0.449438 0.88
295 D5M 0.449438 0.88
296 U A G G 0.449153 0.860759
297 2SA 0.44898 0.933333
298 NIA 0.448276 0.802469
299 NZQ 0.448276 0.910256
300 A U 0.447368 0.848101
301 A3T 0.446809 0.8
302 A A A 0.446602 0.906667
303 128 0.446429 0.758621
304 6K6 0.445545 0.905405
305 GEK 0.445545 0.740741
306 4YB 0.445455 0.764045
307 FNK 0.444444 0.806818
308 62F 0.444444 0.864198
309 AAM 0.444444 0.944444
310 Z5A 0.443548 0.761364
311 WSA 0.442478 0.790698
312 C2R 0.44186 0.88
313 AMZ 0.44186 0.891892
314 12D 0.441441 0.767442
315 XNP 0.440678 0.851852
316 RFL 0.437956 0.823529
317 62X 0.436893 0.670455
318 N6P 0.436893 0.890411
319 AIR 0.433735 0.876712
320 N5O 0.433333 0.766234
321 GP3 0.43299 0.897436
322 A6D 0.432692 0.705882
323 V1N 0.431193 0.893333
324 649 0.429825 0.747253
325 GP2 0.428571 0.910256
326 GDP 0.428571 0.896104
327 NA0 0.428571 0.907895
328 0UM 0.427184 0.702381
329 DCA 0.42623 0.825581
330 ETB 0.42623 0.835294
331 8Q2 0.426087 0.775281
332 9JJ 0.425532 0.841463
333 GNH 0.424242 0.884615
334 NAP 0.424 0.92
335 N5A 0.423913 0.74026
336 PUA 0.422764 0.8625
337 APU 0.422414 0.871795
338 101 0.422222 0.855263
339 3AD 0.421687 0.808219
340 FA9 0.42069 0.865854
341 TAP 0.420635 0.884615
342 TM1 0.420561 0.755814
343 P5F 0.41958 0.825581
344 0T1 0.419355 0.825581
345 COA 0.419355 0.825581
346 K15 0.419048 0.686047
347 7RP 0.417582 0.902778
348 S8M 0.417476 0.7625
349 NHD 0.416667 0.881579
350 GTP 0.415842 0.896104
351 FCX 0.414062 0.797753
352 F2N 0.413793 0.816092
353 AS 0.413043 0.835443
354 7RA 0.413043 0.931507
355 G1R 0.411765 0.884615
356 SXZ 0.411215 0.714286
357 ACK 0.411111 0.837838
358 QQY 0.411111 0.794872
359 J7V 0.409449 0.813953
360 COS 0.409449 0.806818
361 30N 0.409449 0.755319
362 1DG 0.409449 0.897436
363 DG1 0.409449 0.897436
364 AMX 0.409449 0.835294
365 CAO 0.409449 0.797753
366 EO7 0.408602 0.770115
367 8BR 0.408602 0.883117
368 9BG 0.408333 0.873418
369 NVA 2AD 0.408163 0.7625
370 D3Y 0.407767 0.792208
371 9GM 0.407767 0.873418
372 G2P 0.407767 0.910256
373 GNP 0.407767 0.873418
374 GSP 0.407767 0.851852
375 KB1 0.407407 0.702381
376 CC5 0.407407 0.819444
377 A C A C 0.406504 0.82716
378 N01 0.406504 0.881579
379 CMX 0.40625 0.825581
380 SCO 0.40625 0.825581
381 HDV 0.405941 0.87013
382 CMP 0.404255 0.876712
383 2BA 0.404255 0.890411
384 ACO 0.403101 0.797753
385 FAM 0.403101 0.806818
386 2VA 0.402062 0.779221
387 3NZ 0.401869 0.78481
388 HAX 0.4 0.806818
389 26A 0.4 0.74359
390 QQX 0.4 0.78481
391 OZP 0.4 0.731707
Ligand no: 2; 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
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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