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Receptor
PDB id Resolution Class Description Source Keywords
3D36 2.03 Å EC: 2.7.13.3 HOW TO SWITCH OFF A HISTIDINE KINASE: CRYSTAL STRUCTURE OF GEOBACILLUS STEAROTHERMOPHILUS KINB WITH THE INHIBITOR SDA GEOBACILLUS STEAROTHERMOPHILUS GHKL ATPASE FOUR HELIX BUNDLE CLASS I TWO-COMPONENT HISTIDINE KINASE KINASE PHOSPHOPROTEIN TRANSFERASE TWO-COMPONENT REGULATORY SYSTEM TRANSFERASE/TRANSFERASE INHIBITOR COMPLEX
Ref.: HOW TO SWITCH OFF A HISTIDINE KINASE: CRYSTAL STRUCTURE OF GEOBACILLUS STEAROTHERMOPHILUS KINB WITH THE INHIBITOR SDA J.MOL.BIOL. V. 386 163 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:478;
B:477;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
MPD B:700;
B:702;
B:703;
C:701;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3D36 2.03 Å EC: 2.7.13.3 HOW TO SWITCH OFF A HISTIDINE KINASE: CRYSTAL STRUCTURE OF GEOBACILLUS STEAROTHERMOPHILUS KINB WITH THE INHIBITOR SDA GEOBACILLUS STEAROTHERMOPHILUS GHKL ATPASE FOUR HELIX BUNDLE CLASS I TWO-COMPONENT HISTIDINE KINASE KINASE PHOSPHOPROTEIN TRANSFERASE TWO-COMPONENT REGULATORY SYSTEM TRANSFERASE/TRANSFERASE INHIBITOR COMPLEX
Ref.: HOW TO SWITCH OFF A HISTIDINE KINASE: CRYSTAL STRUCTURE OF GEOBACILLUS STEAROTHERMOPHILUS KINB WITH THE INHIBITOR SDA J.MOL.BIOL. V. 386 163 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3D36 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3D36 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 3D36 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 452
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 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3D36; Ligand: ADP; Similar sites found with APoc: 137
This union binding pocket(no: 1) in the query (biounit: 3d36.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC None
2 2BOS GLA GAL GLC NBU None
3 5O2Z FLC None
4 1TUK PGM None
5 6AY3 C3J None
6 2JDU MFU None
7 2WR9 MAN MAN None
8 2AJH MET 2.04082
9 2HFK E4H 2.04918
10 5GUD 2IT 2.45902
11 5GUD NDP 2.45902
12 6EK3 OUL 2.71493
13 5LLT DND 2.86885
14 6A56 LAT 3.04878
15 3ZJX BOG 3.27869
16 3AYI HCI 3.68852
17 3AYI FAD 3.68852
18 2IMG MLT 3.97351
19 1QZR CDX 4.09836
20 1QZR ANP 4.09836
21 1S20 TLA 4.09836
22 5TUF TDC 4.09836
23 5TUF FAD 4.09836
24 2IID PHE 4.09836
25 2IID FAD 4.09836
26 5TS5 FAD 4.09836
27 4DDY DN6 4.09836
28 1WOG 16D 4.09836
29 2PYU IMP 4.56621
30 1ZXM ANP 4.91803
31 2ZJ1 ARJ 4.91803
32 2ZJ1 NAD 4.91803
33 1H82 FAD 4.91803
34 5ZI9 FLC 4.91803
35 1H82 GZZ 4.91803
36 3Q8U ADP 5.09554
37 5G3U FDA 5.32787
38 5G3U ITW 5.32787
39 4B7X NAP 5.32787
40 4FHT DHB 5.73248
41 2GJ5 VD3 6.17284
42 4ZVI 4S4 6.55738
43 1PVS 7HP 6.96721
44 4TV1 36M 7.37705
45 1P4A PCP 7.37705
46 1KZN CBN 7.80488
47 4HZ0 1AV 8.4507
48 2O1V ADP 8.60656
49 6D28 NEC 8.60656
50 4B7P 9UN 8.69565
51 2YI0 YI0 8.69565
52 1BGQ RDC 8.69565
53 1YC4 43P 8.69565
54 5UC4 83S 8.69565
55 4WES HCA 8.69565
56 2VPY PCI 8.69565
57 4C3Y ANB 8.69565
58 4C3Y FAD 8.69565
59 2GFD RDA 8.8983
60 4XFR CIT 9.01639
61 1S14 NOV 9.27835
62 5YB7 ORN 9.42623
63 5YB7 FAD 9.42623
64 3U7Q HCA 9.83607
65 4L8F MTX 9.83607
66 1PVN MZP 10.1064
67 2XCM ADP 10.2804
68 1B63 ANP 10.6557
69 2IOR ADP 10.8696
70 1KIJ NOV 10.8696
71 3H4L ANP 11.0656
72 1P77 ATR 11.4754
73 4GGL CJC 11.6279
74 6HH6 A3R 13.0435
75 3ETG NDP 13.0435
76 1RSG FAD 13.0435
77 3TTZ 07N 13.1313
78 4B6C B5U 13.2653
79 4EMV 0R9 13.2743
80 1QH8 HCA 13.5246
81 6HT0 GQ8 13.5484
82 4P8O 883 13.9037
83 3FPZ AHZ 13.9344
84 4V1F BQ1 13.9535
85 4HSU FAD 15.2174
86 1LVW TYD 15.2174
87 6H3O FAD 15.2174
88 5F5R ANP 15.5462
89 4XCL AGS 17.3913
90 5I8F ML1 17.3913
91 6H39 FGY 17.3913
92 1NF8 BOG 17.3913
93 5AHO TLA 17.3913
94 4L2H AR6 AR6 17.3913
95 2JHP GUN 17.3913
96 1USR SIA WIA 17.3913
97 1USR SIA 17.3913
98 5LXT GTP 17.4825
99 2HKJ RDC 17.623
100 4BAE RWX 18.0488
101 4WGF HX2 18.0488
102 3X0V FAD 19.5652
103 4HY1 19X 19.5652
104 5J6A P46 20.9016
105 2ZKJ ADP 21.3115
106 5OF9 ANP 21.7391
107 1S16 ANP 21.7391
108 1WPQ 13P 21.7391
109 3F8D FAD 21.7391
110 4D04 NAP 21.7391
111 4D04 FAD 21.7391
112 4URN NOV 22.1311
113 4URL XAM 22.1311
114 1Y8O ADP 23.3607
115 1GKZ ADP 23.913
116 2HYQ MAN MAN 23.913
117 4ZCC NAI 23.913
118 4ZCC FAD 23.913
119 4PLT NAI 26.087
120 4PLT OXM 26.087
121 4XCP PLM 26.087
122 4WOH 4NP 28.2609
123 1SJD NPG 28.2609
124 4IVG ANP 30.4348
125 4IPE ANP 30.4348
126 5Y3N 8MF 30.4348
127 1J78 OLA 30.4348
128 1ID0 ANP 31.5789
129 2J5V PCA 32.6087
130 1MAI I3P 34.7826
131 1I58 ACP 35.9788
132 1I58 ADP 35.9788
133 5IDM ANP 36.3129
134 1TH8 ADP 37.2414
135 1TID ATP 38.2353
136 4GCZ ADP 41.3934
137 2C2A ADP 47.9508
138 3K60 ADP 50
Pocket No.: 2; Query (leader) PDB : 3D36; Ligand: ADP; Similar sites found with APoc: 27
This union binding pocket(no: 2) in the query (biounit: 3d36.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1ION ADP None
2 1Q8P MAN MMA 1.63934
3 1G3Q ADP 2.95359
4 3GUZ PAF 3.97727
5 2WD7 VGD 4.09836
6 1HYH NAD 4.91803
7 3CHT 4NB 6.14754
8 1JAY F42 7.07547
9 2OG2 MLI 8.60656
10 2YBQ UP2 8.69565
11 4G86 BNT 9.83607
12 4RL4 PPV 9.90566
13 5Z49 RUB 11.2971
14 5TCI MLI 11.4754
15 4V03 ADP 12.4514
16 3OQJ 3CX 12.7049
17 3ETG GLU 13.0435
18 1WHT BZS 14.3443
19 5YRI GLC GLC 15.2174
20 1K3A ACP 15.2174
21 4E03 ADP 17.3913
22 1VJ7 GPX 17.3913
23 4EUE NAI 17.3913
24 6F5W KG1 23.7705
25 4X1Z FUC GAL NDG 23.913
26 6CB2 OLC 30.4348
27 1TV5 N8E 36.9565
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