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: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
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 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
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 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BKK; Ligand: ADP; Similar sites found: 314
This union binding pocket(no: 1) in the query (biounit: 2bkk.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5A6N U7E 0.0002544 0.48281 2.27273
2 4FG8 ATP 0.0007743 0.41956 2.27273
3 4DFU QUE 0.0000536 0.52522 2.95858
4 2F2U M77 0.0003308 0.4732 3.0303
5 4LH7 1X8 0.008186 0.42269 3.0303
6 3PLS ANP 0.0006634 0.43932 3.40909
7 2IF8 ADP 0.0003527 0.48469 3.5503
8 5LXC 7AA 0.0002182 0.47843 3.5503
9 5DEY 59T 0.003105 0.46826 3.5503
10 4AU8 Z3R 0.002763 0.42989 3.5503
11 3IGO ANP 0.0002945 0.42351 3.5503
12 2CFM AMP 0.01108 0.40148 3.5503
13 1M0W ANP 0.0006429 0.45678 3.78788
14 1K3A ACP 0.002007 0.4315 3.78788
15 3NW7 LGV 0.04106 0.40497 3.78788
16 3I0O ADP 0.0004655 0.46624 4.14201
17 2XMY CDK 0.006509 0.45886 4.14201
18 2R5T ANP 0.00005966 0.45011 4.14201
19 5LVP ATP 0.001465 0.43776 4.14201
20 5MY8 RXZ 0.004716 0.43194 4.14201
21 3RI1 3RH 0.0002744 0.41136 4.14201
22 5EFQ ADP 0.00008556 0.50256 4.16667
23 3O0G 3O0 0.0001396 0.49007 4.16667
24 3X01 AMP 0.0009064 0.46772 4.16667
25 4XLI 1N1 0.00226 0.41399 4.16667
26 5C4L 4XR 0.00001441 0.56305 4.54545
27 5HCY 60D 0.000313 0.51176 4.54545
28 5U6C 7YS 0.000208 0.49137 4.54545
29 5C4L SIS 0.0005144 0.4866 4.54545
30 5LXM ADP 0.0003042 0.47437 4.54545
31 3LXN MI1 0.00006427 0.45807 4.54545
32 5EW9 5VC 0.01984 0.44822 4.54545
33 1OBD ATP 0.001634 0.4356 4.54545
34 3PP0 03Q 0.000129 0.43021 4.54545
35 2WQN ADP 0.00409 0.41732 4.54545
36 4ZS4 ATP 0.001886 0.41082 4.54545
37 3SLS ANP 0.00136 0.4003 4.54545
38 5I35 ANP 0.000002107 0.54453 4.73373
39 3MVH WFE 0.00006261 0.52994 4.73373
40 5UR1 YY9 0.001887 0.47091 4.73373
41 2PVF ACP 0.0001951 0.46069 4.73373
42 1YQC GLV 0.003781 0.42154 4.73373
43 1Q11 TYE 0.008647 0.41576 4.73373
44 4I94 ANP 0.005292 0.40711 4.73373
45 5HCF BGC 0.01393 0.40401 4.73373
46 5HX8 66P 0.0003318 0.40085 4.73373
47 1CKM GTP 0.01448 0.40016 4.73373
48 1CKN GTP 0.01455 0.40005 4.73373
49 4X7Q 3YR 0.00002024 0.49047 4.92424
50 2OFV 242 0.0006311 0.48782 4.92424
51 5BYZ 4WE 0.0009278 0.47398 4.92424
52 1U5R ATP 0.0001878 0.46056 4.92424
53 4G17 0VN 0.0003206 0.45746 4.92424
54 4P5Z Q7M 0.004003 0.45002 4.92424
55 2HK5 1BM 0.0005955 0.4202 4.92424
56 2CXG GLC GLC 0.01852 0.40176 4.92424
57 4CYI ATP 0.007375 0.41587 5.30303
58 4KS7 X4Z 0.0005797 0.40795 5.30303
59 4BTK DTQ 0.0000004624 0.5535 5.32544
60 2V7O DRN 0.00002493 0.53355 5.32544
61 3VOT ADP 0.00002205 0.52844 5.32544
62 5LI1 ANP 0.00006836 0.51434 5.32544
63 3TXO 07U 0.0001184 0.478 5.32544
64 2Z7R STU 0.00001204 0.47297 5.32544
65 4DC2 ADE 0.001273 0.45697 5.32544
66 3WVR AMP 0.0004406 0.45338 5.32544
67 1V0O INR 0.0003019 0.43926 5.32544
68 5C03 AGS 0.002194 0.43671 5.32544
69 3GQI ACP 0.0005133 0.43533 5.32544
70 2VN9 GVD 0.003223 0.43173 5.32544
71 4GLW 0XT 0.003273 0.43141 5.32544
72 5LI9 ACP 0.0005953 0.42658 5.32544
73 3PDT ADP 0.002254 0.42275 5.32544
74 4MV1 ADP 0.01634 0.41367 5.32544
75 2VZ6 FEF 0.008924 0.40176 5.32544
76 5EOB 5QQ 0.01403 0.43485 5.32915
77 2VFK AMP 0.01612 0.40222 5.36585
78 4NST ADP 0.00005114 0.51301 5.68182
79 4YLL 4E3 0.0001864 0.49572 5.68182
80 4CLI 5P8 0.00149 0.47719 5.68182
81 1BYG STU 0.0004606 0.45197 5.68182
82 2RIO ADP 0.0006057 0.44179 5.68182
83 3TII ANP 0.005068 0.4175 5.68182
84 3Q60 ATP 0.004968 0.40166 5.68182
85 1UPR 4IP 0.03221 0.4011 5.69106
86 4ZGP ADP 0.01111 0.40172 5.80205
87 2YNE NHW 0.006439 0.46756 5.91716
88 2YNE YNE 0.006439 0.46756 5.91716
89 2Q7D ANP 0.001887 0.45279 5.91716
90 4IDT T28 0.0003943 0.44842 5.91716
91 5M06 ADP 0.001811 0.43602 5.91716
92 5VZ0 ADP 0.002461 0.43219 5.91716
93 1PHK ATP 0.0004489 0.43086 5.91716
94 3FHR P4O 0.0007952 0.42281 5.91716
95 1CBK ROI 0.01164 0.41286 5.91716
96 2PZI AXX 0.006198 0.40903 5.91716
97 2HGS ADP 0.0007892 0.40511 5.91716
98 1XJD STU 0.00002471 0.47238 6.06061
99 4YMJ 4EJ 0.001751 0.4523 6.06061
100 1E4E ADP 0.0004311 0.42871 6.06061
101 1Q8Y ADP 0.0003917 0.42782 6.06061
102 5HES 032 0.004895 0.42613 6.06061
103 1Q8Y ADE 0.00519 0.42174 6.06061
104 2YRX AMP 0.0171 0.40094 6.06061
105 5T8O 76Z 0.00005786 0.45634 6.30372
106 5JZJ AN2 0.0003579 0.47109 6.43939
107 4UX9 ANP 0.00005768 0.45866 6.43939
108 3GC0 AMP 0.0006139 0.45507 6.43939
109 4OTH DRN 0.0001208 0.43921 6.43939
110 3PTG 932 0.003589 0.42947 6.43939
111 4JDI ANP 0.000698 0.41447 6.43939
112 3TTI KBI 0.0002137 0.40192 6.43939
113 4A4X JUP 0.005126 0.43173 6.50888
114 1QXA GLY GLY GLY 0.01699 0.41907 6.50888
115 4E1Z 0MX 0.0006898 0.40857 6.50888
116 3ETH ATP 0.001046 0.40446 6.50888
117 3ALN ANP 0.001884 0.40268 6.50888
118 5A5W GUO 0.03879 0.40285 6.71937
119 2YAB AMP 0.00003229 0.52495 6.81818
120 4AZW ATP 0.00001653 0.48037 6.81818
121 5AWM ANP 0.0003096 0.47455 6.81818
122 4AZT LY2 0.0003191 0.47394 6.81818
123 5UIU 8CG 0.003799 0.44244 6.81818
124 4WW7 AMP 0.0000008863 0.60403 7.10059
125 4YZN 4K5 0.00006386 0.51795 7.10059
126 4WNP 3RJ 0.00002739 0.51691 7.10059
127 5TO8 7FM 0.001168 0.47813 7.10059
128 1ZX5 LFR 0.01679 0.42009 7.10059
129 3E7O 35F 0.01395 0.41709 7.10059
130 2ZJ5 ADP 0.01235 0.4118 7.10059
131 4BKJ STI 0.02736 0.40132 7.10059
132 5BVE 4VG 0.0002184 0.53463 7.19697
133 5IH9 6BF 0.0002547 0.50751 7.19697
134 4BFM ANP 0.000009668 0.48471 7.19697
135 5W4W 9WG 0.001637 0.46183 7.19697
136 3GGF GVD 0.0004298 0.45348 7.19697
137 4UWH JXM 0.001614 0.42987 7.19697
138 4KBA 1QM 0.005624 0.42005 7.19697
139 4QTB 38Z 0.000187 0.4009 7.19697
140 4OUC 5ID 0.001069 0.43698 7.28291
141 4WNK 453 0.000214 0.50376 7.57576
142 3TKI S25 0.0009453 0.49514 7.57576
143 5C1P ADP 0.00158 0.43626 7.57576
144 5C1P DAL DAL 0.005984 0.42694 7.57576
145 4K33 ACP 0.0007126 0.42503 7.57576
146 2HY0 306 0.009745 0.4 7.57576
147 4O4F IHP 0.0006434 0.47545 7.66129
148 4O4F ATP 0.0005921 0.47545 7.66129
149 4ME6 ADP 0.00007664 0.51971 7.69231
150 4IJP 1EH 0.00005386 0.51694 7.69231
151 4BCN T9N 0.00005166 0.50429 7.69231
152 4JR7 GNP 0.0001082 0.49779 7.69231
153 4CFU 2WC 0.00004987 0.49341 7.69231
154 1CM8 ANP 0.0001077 0.47122 7.69231
155 4Y85 499 0.0005757 0.4615 7.69231
156 4BCQ TJF 0.0009121 0.45251 7.69231
157 1O9U ADZ 0.001684 0.44624 7.69231
158 4IX4 ADP 0.000001488 0.59061 7.95455
159 3HAV ATP 0.0001002 0.51468 7.95455
160 1IOW ADP 0.001862 0.46308 7.95455
161 1IOW PHY 0.001862 0.46308 7.95455
162 4YZC STU 0.0000648 0.53866 8.28402
163 4TWP AXI 0.0005515 0.50031 8.28402
164 3KRR DQX 0.001332 0.49473 8.28402
165 3GC8 B45 0.00003288 0.45615 8.28402
166 5FI4 5XV 0.006152 0.42477 8.28402
167 5DXT 5H5 0.004452 0.42434 8.28402
168 1EHI ADP 0.001249 0.41105 8.28402
169 3PE2 E1B 0.00006193 0.55006 8.33333
170 4GYI ADP 0.00001028 0.53639 8.33333
171 3M2W L8I 0.0000212 0.52199 8.33333
172 4AUA 4AU 0.0002863 0.47559 8.33333
173 2CSN CKI 0.00006907 0.42023 8.33333
174 5L8L ADP 0.002507 0.43188 8.54701
175 3UDZ ADP 0.0003767 0.43207 8.71212
176 3UIM ANP 0.001156 0.42227 8.71212
177 2WU6 DKI 0.0003012 0.41968 8.71212
178 3DLS ADP 0.000002124 0.5712 8.87574
179 4CRL C1I 0.00006918 0.53274 8.87574
180 4F4P 0SB 0.0007722 0.50406 8.87574
181 3SRV S19 0.00003466 0.49148 8.87574
182 5X8I SQZ 0.00008613 0.46566 8.87574
183 2PUL ACP 0.0009875 0.43236 8.87574
184 4FL3 ANP 0.0006109 0.41723 8.87574
185 3K5I ADP 0.0009857 0.41277 8.87574
186 3V4S ATP 0.0008467 0.40596 8.87574
187 1U59 STU 0.00005445 0.47495 9.05923
188 4XV1 904 0.0008016 0.47995 9.09091
189 4CQE CQE 0.00005665 0.44643 9.09091
190 3TPV ADE 0.001072 0.41952 9.09091
191 3C0G 3AM 0.004487 0.41548 9.09091
192 5GZ9 ANP 0.0002851 0.48691 9.46746
193 5W2I I3P 0.0005779 0.47414 9.46746
194 5W2I ADP 0.0005779 0.47414 9.46746
195 5LPZ ADP 0.000062 0.47004 9.46746
196 4OH4 ANP 0.00007069 0.46868 9.46746
197 3KN5 ANP 0.0004995 0.45917 9.46746
198 1UNH IXM 0.001436 0.43817 9.46746
199 5LPB ADP 0.001644 0.43042 9.46746
200 4RDL FUC GAL NDG FUC 0.01054 0.41444 9.46746
201 3TDV GDP 0.000004913 0.51521 9.4697
202 4L3L 5FI 0.0004293 0.48892 9.4697
203 3OFM 4B0 0.0008704 0.44812 9.4697
204 3FC2 IBI 0.03974 0.41796 9.4697
205 4BG4 ARG 0.01212 0.40764 9.4697
206 3DNT ATP 0.0009104 0.40202 9.4697
207 4XH0 ADP 0.0007893 0.46874 9.84848
208 4N70 2HX 0.00002172 0.57581 10.0592
209 4Y0X ADP 0.00009154 0.49583 10.0592
210 4OCV ANP 0.00002609 0.48292 10.0592
211 3CY2 MB9 0.00001263 0.46272 10.0592
212 5DMZ ADP 0.0001099 0.46064 10.0592
213 3BU5 ATP 0.0001248 0.45848 10.0592
214 2ZV2 609 0.001194 0.44701 10.0592
215 4U44 3D9 0.0003927 0.44064 10.0592
216 4Q5H ANP 0.00009221 0.46989 10.5263
217 5N87 N66 0.0009499 0.47895 10.6061
218 3HMO STU 0.001677 0.42063 10.6061
219 4D2S DYK 0.007552 0.40509 10.6061
220 3G5D 1N1 0.0007493 0.50218 10.6509
221 3HZT J60 0.002228 0.43428 10.6509
222 1IA9 ANP 0.0005753 0.42975 10.6509
223 4LRJ ANP 0.00138 0.42531 10.6509
224 1Y57 MPZ 0.0008928 0.40132 10.6509
225 5CKW ANP 0.000006703 0.53594 10.9848
226 2PYW ADP 0.000004808 0.49756 10.9848
227 5FAL SKT 0.04689 0.41108 10.9848
228 5FAL COA 0.04689 0.41108 10.9848
229 1NJJ GET 0.01657 0.40761 10.9848
230 5G1X ADP 0.0007161 0.43812 11.1111
231 5NBW 8SK 0.008643 0.4024 11.215
232 2A19 ANP 0.00003026 0.52198 11.2426
233 1OUK 084 0.00144 0.51154 11.2426
234 4BHN BH9 0.00005316 0.45726 11.2426
235 5KO1 6UY 0.0002541 0.45564 11.2426
236 5UOX 8GY 0.00005498 0.45041 11.2426
237 4M69 ANP 0.001651 0.44666 11.2426
238 4U98 ACP 0.0006086 0.44027 11.2426
239 4H3Q ANP 0.00008585 0.43855 11.2426
240 4USF 6UI 0.004116 0.43317 11.2426
241 4H3P ANP 0.0006783 0.43219 11.2426
242 5CEO 50D 0.005291 0.41882 11.2426
243 5JKG 6LF 0.02171 0.41293 11.2426
244 4LOO SB4 0.002867 0.40535 11.2426
245 1ULE GLA GAL NAG 0.01476 0.40865 11.3333
246 4UAL 3FV 0.000003344 0.56834 11.8343
247 2GU8 796 0.0001025 0.54732 11.8343
248 1RE8 BD2 0.0001135 0.53657 11.8343
249 4WB6 ATP 0.000134 0.50846 11.8343
250 3IDB ANP 0.00007964 0.43916 11.8343
251 3AKK ADP 0.002801 0.43382 11.8343
252 4PZ6 GMP 0.005669 0.42778 11.8343
253 3FHI ANP 0.00007836 0.42501 11.8343
254 2QCS ANP 0.00008634 0.4245 11.8343
255 2QX0 PH2 0.006278 0.42946 11.9497
256 3F7Z 34O 0.000003042 0.57027 12.1212
257 4NM5 ADP 0.003341 0.46489 12.1212
258 2JLD AG1 0.00001341 0.41491 12.1212
259 5DZT AMP 0.00001134 0.49185 12.426
260 5MW8 ATP 0.001345 0.45472 12.426
261 4BCM T7Z 0.00197 0.43668 12.426
262 4L2I NAD 0.03261 0.41101 12.5
263 1ZTH ADP 0.00002316 0.52743 12.7907
264 1ZP9 ATP 0.00003434 0.50159 12.7907
265 3V8S 0HD 0.0005144 0.44106 13.0178
266 5HQ0 LZ9 0.0001016 0.5039 13.6095
267 5AX9 4KT 0.0003079 0.47658 13.6095
268 5TDF ADP 0.003318 0.43231 13.6095
269 5IGI GMP 0.0000517 0.54357 13.6364
270 5IGI ZIT 0.00005521 0.54357 13.6364
271 5VCV 1N1 0.0006082 0.40455 14.1479
272 4M6T SAM 0.006525 0.42716 14.2077
273 2WEL K88 0.01179 0.40964 14.6667
274 4Y8D 49J 0.0008393 0.42552 14.7929
275 4NFN 2KC 0.00000174 0.54264 15.1515
276 4R78 AMP 0.0006825 0.46425 15.1515
277 4WOE 3S5 0.01734 0.40412 15.1515
278 2QK4 ATP 0.0001387 0.49762 15.3846
279 5FBN 5WF 0.01697 0.41515 15.5303
280 3ZRM ZRM 0.0001308 0.45868 15.625
281 1TQP ATP 0.00001712 0.45718 15.9091
282 2Z48 NGA 0.03383 0.40488 15.9763
283 4N14 WR7 0.001581 0.4571 16.568
284 1TZD ADP 0.00008786 0.51919 16.6667
285 5VC5 96M 0.001881 0.45444 16.6667
286 5EYK 5U5 0.01763 0.40698 16.9492
287 5K2M ADP 0.007363 0.42102 16.9811
288 2YW2 ATP 0.0001366 0.44111 17.1598
289 1JPA ANP 0.003079 0.42631 17.1598
290 3DAK ANP 0.002095 0.42369 17.1598
291 2B9F ADP 0.0001048 0.46477 17.7515
292 2DTJ THR 0.007452 0.40961 17.7515
293 3AB4 THR 0.009288 0.40951 17.7515
294 2B9J ADP 0.00005335 0.48312 18.3432
295 2B9I ADP 0.00006169 0.46945 18.3432
296 2B9H ADP 0.0001171 0.45473 18.3432
297 3RE4 TO1 0.00032 0.47388 18.9922
298 1W2D ADP 0.0007634 0.45615 19.3182
299 3ZW2 GLA NAG GAL FUC 0.008377 0.40947 19.5402
300 4F9C 0SX 0.00009739 0.47379 21.3018
301 4CC6 L5Y 0.004368 0.42535 21.9697
302 5JFS 6K0 0.00326 0.45673 22.7273
303 3LQV ADE 0.0003814 0.48911 23.0769
304 3W0O HY0 0.000008543 0.43118 25
305 3W0O ADP 0.000008543 0.43118 25
306 4XYM A12 0.0002596 0.4824 25.4438
307 5UKL SIX 0.001492 0.45934 25.8065
308 1VJY 460 0.0002473 0.50381 26.0355
309 3VPB ADP 0.0003566 0.40165 26.7857
310 5IQD RIO 0.000007313 0.5877 26.8939
311 5IQD GNP 0.000006804 0.5877 26.8939
312 3KMW ATP 0.002381 0.41652 34.1085
313 4O1P ANP 0.000284 0.44888 42.6035
314 4OAV ACP 0.0003442 0.45285 44.3787
Pocket No.: 2; Query (leader) PDB : 2BKK; Ligand: ADP; Similar sites found: 35
This union binding pocket(no: 2) in the query (biounit: 2bkk.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GQR ADP 0.002849 0.42054 2.95858
2 3CL5 SIO 0.00682 0.43093 3.5503
3 2GQS ADP 0.001446 0.43359 4.64135
4 2H8H H8H 0.001748 0.42356 5.30303
5 3GNI ATP 0.00243 0.40627 5.30303
6 3VPC ADP 0.0007933 0.41948 5.31915
7 3WUR O4B 0.01291 0.41383 5.32544
8 2VEG PMM 0.0127 0.40721 5.32544
9 1ZY5 ANP 0.005317 0.40852 5.68182
10 1TMM APC 0.004018 0.43287 6.32911
11 1TMM HHR 0.003749 0.43287 6.32911
12 4IZY 1J2 0.002972 0.40597 6.43939
13 4GJ3 0XP 0.0001603 0.40025 6.43939
14 1W31 SHO 0.01515 0.41011 6.50888
15 2X2M X2M 0.001614 0.40754 6.50888
16 4YSW URC 0.02068 0.40273 6.81818
17 3ORK AGS 0.001281 0.40036 6.81818
18 4FE2 ADP 0.005947 0.41437 7.45098
19 2VQD AP2 0.001971 0.41253 7.69231
20 2VPQ ANP 0.0006117 0.41919 8.28402
21 5TH5 MET 0.0117 0.41354 8.87574
22 4PU5 ANP 0.001082 0.41214 8.87574
23 1GSA ADP 0.001316 0.40796 9.09091
24 4OCJ NDG 0.000004217 0.4231 9.46746
25 4EUU BX7 0.000328 0.41125 10.0592
26 2PNC CLU 0.01706 0.40834 10.0592
27 3H9R TAK 0.01534 0.40318 10.0592
28 1I7E IBS 0.01852 0.40328 10.6509
29 1VKF CIT 0.02101 0.40048 11.8343
30 4C2W ANP 0.007126 0.41498 13.4615
31 5LXT ACP 0.001508 0.40132 14.6853
32 1AUX AGS 0.002767 0.41536 14.7727
33 5DBX ANP 0.005059 0.40255 17.1598
34 2AQX ATP 0.0005915 0.42441 17.803
35 3B2Q AES 0.02665 0.41053 19.3182
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