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Receptor
PDB id Resolution Class Description Source Keywords
2BKK 2.15 Å EC: 2.7.1.95 CRYSTAL STRUCTURE OF AMINOGLYCOSIDE PHOSPHOTRANSFERASE APH (3')-IIIA IN COMPLEX WITH THE INHIBITOR AR_3A ENTEROCOCCUS FAECALIS TRANSFERASE/PEPTIDE TRANSFERASE/DESIGNED PROTEIN COMPLEX ANKYRIN REPEAT CO-CRYSTALLIZATION INHIBITOR DESIGN DRUG DESIGN ENZYME INHIBITION KINASE INHIBITION DESIGNED REPEAT PROTEIN ANTIBIOTIC RESISTANCE ATP-BINDING KINASE PLASMID TRANSFERASE
Ref.: ALLOSTERIC INHIBITION OF AMINOGLYCOSIDE PHOSPHOTRANSFERASE BY A DESIGNED ANKYRIN REPEAT PROTEIN STRUCTURE V. 13 1131 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:1265;
C:1265;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:1266;
A:1267;
C:1266;
C:1267;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BKK 2.15 Å EC: 2.7.1.95 CRYSTAL STRUCTURE OF AMINOGLYCOSIDE PHOSPHOTRANSFERASE APH (3')-IIIA IN COMPLEX WITH THE INHIBITOR AR_3A ENTEROCOCCUS FAECALIS TRANSFERASE/PEPTIDE TRANSFERASE/DESIGNED PROTEIN COMPLEX ANKYRIN REPEAT CO-CRYSTALLIZATION INHIBITOR DESIGN DRUG DESIGN ENZYME INHIBITION KINASE INHIBITION DESIGNED REPEAT PROTEIN ANTIBIOTIC RESISTANCE ATP-BINDING KINASE PLASMID TRANSFERASE
Ref.: ALLOSTERIC INHIBITION OF AMINOGLYCOSIDE PHOSPHOTRANSFERASE BY A DESIGNED ANKYRIN REPEAT PROTEIN STRUCTURE V. 13 1131 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2BKK - 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 3 families.
1 2BKK - 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 3 families.
1 2BKK - 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 : 2BKK; Ligand: ADP; Similar sites found with APoc: 468
This union binding pocket(no: 1) in the query (biounit: 2bkk.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4UXL 5P8 2.27273
2 5A6N U7E 2.27273
3 4FG8 ATP 2.27273
4 2Q4H AMP 2.36686
5 4DFU QUE 2.95858
6 2F2U M77 3.0303
7 5USZ SKE 3.0303
8 3ORQ ADP 3.0303
9 4LH7 1X8 3.0303
10 6C0T EE4 3.40909
11 3PLS ANP 3.40909
12 3IGO ANP 3.5503
13 6CQF F97 3.5503
14 5DEY 59T 3.5503
15 2IF8 ADP 3.5503
16 5ZTN CUR 3.5503
17 4AU8 Z3R 3.5503
18 2CFM AMP 3.5503
19 3BZ3 YAM 3.78788
20 1M0W ANP 3.78788
21 1K3A ACP 3.78788
22 3VHE 42Q 3.78788
23 4ASE AV9 3.78788
24 3NW7 LGV 3.78788
25 5WNL STU 4.09357
26 2R5T ANP 4.14201
27 3I0O ADP 4.14201
28 2XK9 XK9 4.14201
29 2XMY CDK 4.14201
30 5LVP ATP 4.14201
31 5MY8 RXZ 4.14201
32 3RI1 3RH 4.14201
33 5NKB 8ZT 4.16667
34 3X01 AMP 4.16667
35 3O0G 3O0 4.16667
36 5EFQ ADP 4.16667
37 4AT3 LTI 4.16667
38 5ZCT ANP 4.16667
39 4L9I 8PR 4.16667
40 5C4L 4XR 4.54545
41 3LXN MI1 4.54545
42 5HCY 60D 4.54545
43 5U6C 7YS 4.54545
44 5C4L SIS 4.54545
45 3PP0 03Q 4.54545
46 5LXM ADP 4.54545
47 5EW9 5VC 4.54545
48 4ZS4 ATP 4.54545
49 3SLS ANP 4.54545
50 1OBD ATP 4.54545
51 3E5A VX6 4.54545
52 4G31 0WH 4.54545
53 2WQN ADP 4.54545
54 3AQV TAK 4.54545
55 2GQS ADP 4.64135
56 5I35 ANP 4.73373
57 3MVH WFE 4.73373
58 3RWP ABQ 4.73373
59 5WO4 B7V 4.73373
60 2PVF ACP 4.73373
61 5UR1 YY9 4.73373
62 1OX5 1PR 4.73373
63 1YQC GLV 4.73373
64 4I94 ANP 4.73373
65 1Q11 TYE 4.73373
66 1RJW ETF 4.73373
67 5HCF BGC 4.73373
68 1CKM GTP 4.73373
69 1CKN GTP 4.73373
70 4X7Q 3YR 4.92424
71 2HK5 1BM 4.92424
72 2XVD AS6 4.92424
73 4G17 0VN 4.92424
74 1U5R ATP 4.92424
75 4P5Z Q7M 4.92424
76 2OFV 242 4.92424
77 2CXG GLC GLC 4.92424
78 4KS7 X4Z 5.30303
79 3GNI ATP 5.30303
80 2H8H H8H 5.30303
81 4CYI ATP 5.30303
82 4PNI KQQ 5.30303
83 3VPC ADP 5.31915
84 4BTK DTQ 5.32544
85 2Z7R STU 5.32544
86 5LI1 ANP 5.32544
87 3VOT ADP 5.32544
88 2V7O DRN 5.32544
89 6AC9 ANP 5.32544
90 6C1S EFV 5.32544
91 4NW6 2NS 5.32544
92 3TXO 07U 5.32544
93 3WO0 ADP 5.32544
94 3WO0 ALA 5.32544
95 3GQI ACP 5.32544
96 5LI9 ACP 5.32544
97 3WVR AMP 5.32544
98 4GLW 0XT 5.32544
99 1V0O INR 5.32544
100 5OES ADP 5.32544
101 2VN9 GVD 5.32544
102 3PDT ADP 5.32544
103 6CZ7 MGD 5.32544
104 4MV1 ADP 5.32544
105 5C03 AGS 5.32544
106 4WB7 ATP 5.32544
107 5Z2L NDP 5.32544
108 4DC2 ADE 5.32544
109 2VZ6 FEF 5.32544
110 5WBF LAC 5.32544
111 5EOB 5QQ 5.32915
112 2VFK AMP 5.36585
113 4CLI 5P8 5.68182
114 2PVN P63 5.68182
115 4NST ADP 5.68182
116 2RIO ADP 5.68182
117 1BYG STU 5.68182
118 6A1G 9OL 5.68182
119 1ZY5 ANP 5.68182
120 3TII ANP 5.68182
121 3Q60 ATP 5.68182
122 1UPR 4IP 5.69106
123 4ZGP ADP 5.80205
124 4AVV CD 5.88235
125 4AVV GHE 5.88235
126 4IDT T28 5.91716
127 2YNE NHW 5.91716
128 2YNE YNE 5.91716
129 3FHR P4O 5.91716
130 2Q7D ANP 5.91716
131 5VZ0 ADP 5.91716
132 5M06 ADP 5.91716
133 1PHK ATP 5.91716
134 5IM3 DTP 5.91716
135 6ES0 BW8 5.91716
136 1CBK ROI 5.91716
137 2PZI AXX 5.91716
138 3VRY B43 5.91716
139 2HGS ADP 5.91716
140 4NJH SAM 5.91716
141 4NJH 2K8 5.91716
142 1XJD STU 6.06061
143 1Z2P I3S 6.06061
144 1Z2P ACP 6.06061
145 1E4E ADP 6.06061
146 1Q8Y ADP 6.06061
147 5HES 032 6.06061
148 4YMJ 4EJ 6.06061
149 2YRX AMP 6.06061
150 1Q8Y ADE 6.06061
151 5T8O 76Z 6.30372
152 2RIF AMP 6.38298
153 5XVG 8FX 6.43939
154 4GJ3 0XP 6.43939
155 4OTH DRN 6.43939
156 3TTI KBI 6.43939
157 4UX9 ANP 6.43939
158 4WHZ 3NL 6.43939
159 3GC0 AMP 6.43939
160 5JZJ AN2 6.43939
161 4IZY 1J2 6.43939
162 5TT6 ATP 6.43939
163 3PTG 932 6.43939
164 5AE9 OKO 6.50888
165 3ETH ATP 6.50888
166 4A4X JUP 6.50888
167 6FYV 3NG 6.50888
168 2X2M X2M 6.50888
169 6BXI ANP 6.50888
170 1QXA GLY GLY GLY 6.50888
171 3KRL KRL 6.50888
172 4E1Z 0MX 6.50888
173 3ALN ANP 6.50888
174 3FSY SCA 6.50888
175 5A5W GUO 6.71937
176 4AZW ATP 6.81818
177 3E8N VRA 6.81818
178 3E8N ATP 6.81818
179 2YAB AMP 6.81818
180 5AWM ANP 6.81818
181 5UIU 8CG 6.81818
182 3ORK AGS 6.81818
183 2IO8 ADP 6.81818
184 6F3G CJN 6.81818
185 4YSW URC 6.81818
186 4YZN 4K5 7.10059
187 4WNP 3RJ 7.10059
188 2BPM 529 7.10059
189 4WW7 AMP 7.10059
190 5TO8 7FM 7.10059
191 5Y86 HRM 7.10059
192 1ZX5 LFR 7.10059
193 3E7O 35F 7.10059
194 2ZJ5 ADP 7.10059
195 6GU6 1QK 7.14286
196 4BFM ANP 7.19697
197 5W4W 9WG 7.19697
198 5BVE 4VG 7.19697
199 5IH9 6BF 7.19697
200 4QTB 38Z 7.19697
201 4E93 GUI 7.19697
202 4QMN DB8 7.19697
203 4KBA 1QM 7.19697
204 3GGF GVD 7.19697
205 6GZD LCI 7.19697
206 4UWH JXM 7.19697
207 4WVO 3UZ 7.19697
208 1R27 MGD 7.19697
209 6G34 5ID 7.28291
210 4OUC 5ID 7.28291
211 3C1X CKK 7.5067
212 4WNK 453 7.57576
213 3TKI S25 7.57576
214 5QIN J2V 7.57576
215 5C1P ADP 7.57576
216 5C1P DAL DAL 7.57576
217 4K33 ACP 7.57576
218 2HY0 306 7.57576
219 4O4F IHP 7.66129
220 4O4F ATP 7.66129
221 4BCN T9N 7.69231
222 4JR7 GNP 7.69231
223 4CFU 2WC 7.69231
224 6GUE FB8 7.69231
225 1CM8 ANP 7.69231
226 4Y85 499 7.69231
227 4IJP 1EH 7.69231
228 1O9U ADZ 7.69231
229 4BCQ TJF 7.69231
230 2VQD AP2 7.69231
231 5VSM MET 7.69231
232 2JAP J01 7.69231
233 4IX4 ADP 7.95455
234 3HAV ATP 7.95455
235 5YK1 ANP 7.95455
236 1IOW ADP 7.95455
237 1IOW PHY 7.95455
238 4YZC STU 8.28402
239 3LXK MI1 8.28402
240 2VPQ ANP 8.28402
241 3GC8 B45 8.28402
242 3PN1 IVH 8.28402
243 5FI4 5XV 8.28402
244 5DXT 5H5 8.28402
245 1OPK P16 8.28402
246 1EHI ADP 8.28402
247 5C9P FUC 8.28402
248 3PE2 E1B 8.33333
249 4GYI ADP 8.33333
250 2CSN CKI 8.33333
251 3M2W L8I 8.33333
252 5EQY 5RA 8.33333
253 4AUA 4AU 8.33333
254 5OMY 9YE 8.33333
255 3QVV A3P 8.33333
256 5L8L ADP 8.54701
257 5ETR APC 8.69565
258 5ETR 5RW 8.69565
259 6FL8 TIY 8.71212
260 6FL8 ADP 8.71212
261 5VLQ ANP 8.71212
262 2WU6 DKI 8.71212
263 3UIM ANP 8.71212
264 3UDZ ADP 8.71212
265 4NTC FAD 8.71212
266 4X3R 686 8.71212
267 3DLS ADP 8.87574
268 4CRL C1I 8.87574
269 4F4P 0SB 8.87574
270 3SRV S19 8.87574
271 4EWH T77 8.87574
272 3V4S ATP 8.87574
273 4PU5 ANP 8.87574
274 5X8I SQZ 8.87574
275 3V4S ADP 8.87574
276 2PUL ACP 8.87574
277 3K5I AIR 8.87574
278 4FL3 ANP 8.87574
279 1KJ8 GAR 8.87574
280 1KJ8 ATP 8.87574
281 3K5I ADP 8.87574
282 3UA1 08Y 8.87574
283 1U59 STU 9.05923
284 4CQE CQE 9.09091
285 4XV1 904 9.09091
286 1GSA ADP 9.09091
287 6FYL 3NG 9.09091
288 3TPV ADE 9.09091
289 3C0G 3AM 9.09091
290 6C7Y ADP 9.40171
291 3PVW QRX 9.45946
292 4OCJ NDG 9.46746
293 5LPZ ADP 9.46746
294 4OH4 ANP 9.46746
295 5GZ9 ANP 9.46746
296 3KAL ADP 9.46746
297 3KN5 ANP 9.46746
298 5LPB ADP 9.46746
299 1UNH IXM 9.46746
300 4RDL FUC GAL NDG FUC 9.46746
301 3TDV GDP 9.4697
302 4L3L 5FI 9.4697
303 3FC2 IBI 9.4697
304 3DNT ATP 9.4697
305 5YF9 NIO 9.4697
306 5TA6 79D 9.4697
307 4BG4 ARG 9.4697
308 2YAK OSV 9.84848
309 4XH0 ADP 9.84848
310 2BMB PMM 9.84848
311 6BFN DL1 9.84848
312 2WCJ M21 9.92908
313 4N70 2HX 10.0592
314 4OCV ANP 10.0592
315 1IR3 ANP 10.0592
316 4Y0X ADP 10.0592
317 4EUU BX7 10.0592
318 6CMJ F6J 10.0592
319 3CY2 MB9 10.0592
320 5DMZ ADP 10.0592
321 3BU5 ATP 10.0592
322 4U44 3D9 10.0592
323 2ZV2 609 10.0592
324 4IE6 UN9 10.0592
325 6GIN IR2 10.0592
326 5OKT 9XK 10.0592
327 3EKK GS2 10.2273
328 5DRB 5FJ 10.2273
329 4Q5H ANP 10.5263
330 5N87 N66 10.6061
331 3HMO STU 10.6061
332 1KQF MGD 10.6061
333 2JDR L20 10.6509
334 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 10.6509
335 3G5D 1N1 10.6509
336 1Y57 MPZ 10.6509
337 4LRJ ANP 10.6509
338 4ONA UW1 10.6509
339 3HZT J60 10.6509
340 1IA9 ANP 10.6509
341 5EH0 5NW 10.8527
342 5CKW ANP 10.9848
343 2PYW ADP 10.9848
344 1NJJ GET 10.9848
345 5G1X ADP 11.1111
346 5NBW 8SK 11.215
347 2A19 ANP 11.2426
348 6E2O S0L 11.2426
349 1OUK 084 11.2426
350 5KO1 6UY 11.2426
351 4U98 ACP 11.2426
352 4H3Q ANP 11.2426
353 4USF 6UI 11.2426
354 4H3P ANP 11.2426
355 4LOO SB4 11.2426
356 4BHN BH9 11.2426
357 5CEO 50D 11.2426
358 5JKG 6LF 11.2426
359 4M69 ANP 11.2426
360 1ULE GLA GAL NAG 11.3333
361 6GR0 F8W 11.4943
362 4XCB AKG 11.4943
363 4UAL 3FV 11.8343
364 4NZN ANP 11.8343
365 4NZN 2OU 11.8343
366 2GU8 796 11.8343
367 1RE8 BD2 11.8343
368 2QCS ANP 11.8343
369 5JGA 6KC 11.8343
370 3IDB ANP 11.8343
371 4PZ6 GMP 11.8343
372 3FHI ANP 11.8343
373 1E8G FCR 11.8343
374 4WB6 ATP 11.8343
375 1E8G FAD 11.8343
376 3AKK ADP 11.8343
377 2QX0 PH2 11.9497
378 2JLD AG1 12.1212
379 4NM5 ADP 12.1212
380 3F7Z 34O 12.1212
381 5DZT AMP 12.426
382 5MW8 ATP 12.426
383 2V58 LZJ 12.426
384 5DH3 5BS 12.426
385 4BCM T7Z 12.426
386 1ZY7 IHP 12.426
387 4L2I NAD 12.5
388 1ZTH ADP 12.7907
389 1ZP9 ATP 12.7907
390 4K38 SAM 12.8788
391 3VSV XYS 12.8788
392 3V8S 0HD 13.0178
393 4I6H 1C8 13.0178
394 5HQ0 LZ9 13.6095
395 5AX9 4KT 13.6095
396 5TDF ADP 13.6095
397 3VPD ANP 13.6095
398 5IH1 GDP 13.6364
399 5IH1 6BQ 13.6364
400 5IGI ZIT 13.6364
401 5IGI GMP 13.6364
402 4C2V YJA 13.6364
403 5VCV 1N1 14.1479
404 1T36 ADP 14.2012
405 4M6T SAM 14.2077
406 2WEL K88 14.6667
407 5LXT ACP 14.6853
408 1PK8 ATP 14.7727
409 1AUX AGS 14.7727
410 4Y8D 49J 14.7929
411 5Y80 IRE 14.7929
412 5UPK ANP 15.1351
413 4NFN 2KC 15.1515
414 4R78 AMP 15.1515
415 4WOE 3S5 15.1515
416 2QK4 ATP 15.3846
417 5FBN 5WF 15.5303
418 3ZRM ZRM 15.625
419 1TQP ATP 15.9091
420 2Z49 AMG 15.9763
421 2Z48 NGA 15.9763
422 4Y93 746 16.2879
423 2OO8 RAJ 16.2879
424 4N14 WR7 16.568
425 2QF7 AGS 16.568
426 2J7T 274 16.568
427 5VC5 96M 16.6667
428 1TZD ADP 16.6667
429 5EYK 5U5 16.9492
430 5K2M ADP 16.9811
431 2YW2 ATP 17.1598
432 1JPA ANP 17.1598
433 3DAK ANP 17.1598
434 2B9F ADP 17.7515
435 1I7L ATP 17.7515
436 2DTJ THR 17.7515
437 3AB4 THR 17.7515
438 2AQX ATP 17.803
439 2B9J ADP 18.3432
440 2B9I ADP 18.3432
441 2B9H ADP 18.3432
442 5U55 S0H 18.9349
443 3RE4 TO1 18.9922
444 1W2D ADP 19.3182
445 1W2D 4IP 19.3182
446 3B2Q ATP 19.3182
447 3ZW2 GLA NAG GAL FUC 19.5402
448 1JBU BEN 20.6349
449 4F9C 0SX 21.3018
450 4CC6 L5Y 21.9697
451 5JFS 6K0 22.7273
452 3LQV ADE 23.0769
453 2R7K AMZ 23.6686
454 2R7K ACP 23.6686
455 3W0O HY0 25
456 3W0O ADP 25
457 4XZ3 ACP 25.4438
458 4XYM A12 25.4438
459 5UKL SIX 25.8065
460 1VJY 460 26.0355
461 3VPB ADP 26.7857
462 6CGD GNP 26.8939
463 6CGD AKN 26.8939
464 5ODT ADP 30.4348
465 3KMW ATP 34.1085
466 4ZOH MCN 34.3195
467 4O1P ANP 42.6035
468 4OAV ACP 44.3787
Pocket No.: 2; Query (leader) PDB : 2BKK; Ligand: ADP; Similar sites found with APoc: 33
This union binding pocket(no: 2) in the query (biounit: 2bkk.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3LJU IP9 2.65152
2 2GQR ADP 2.95858
3 3CL5 SIO 3.5503
4 4AG8 AXI 3.78788
5 3WUR O4B 5.32544
6 2VEG PMM 5.32544
7 1T3Q FAD 5.32544
8 3E85 BSU 5.6962
9 5M60 BGC 5.91716
10 5DZ2 212 6.06061
11 1TMM APC 6.32911
12 1TMM HHR 6.32911
13 1W31 SHO 6.50888
14 6GWR FEW 7.10059
15 4FE2 ADP 7.45098
16 4TWP AXI 8.28402
17 1ELI PYC 8.28402
18 6B2W AG2 8.28402
19 6EZ6 C5Z 8.33333
20 2WSA MYA 8.87574
21 2WSA 646 8.87574
22 5TH5 MET 8.87574
23 2PNC CLU 10.0592
24 3H9R TAK 10.0592
25 1I7E IBS 10.6509
26 1VKF CIT 11.8343
27 2ZUX RAM 12.5
28 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 13.1579
29 4C2W ANP 13.4615
30 2J4D FAD 15.9091
31 5DBX ANP 17.1598
32 3B2Q AES 19.3182
33 4UHL VFV 20.7101
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