Receptor
PDB id Resolution Class Description Source Keywords
3DNT 1.66 Å NON-ENZYME: OTHER STRUCTURES OF MDT PROTEINS ESCHERICHIA COLI MDT PERSISTENCE MULTIDRUG RESISTANCE TOLERANCE TRANSFERASE
Ref.: MOLECULAR MECHANISMS OF HIPA-MEDIATED MULTIDRUG TOLERANCE AND ITS NEUTRALIZATION BY HIPB. SCIENCE V. 323 396 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:500;
B:501;
Valid;
Valid;
none;
none;
Kd = 18 uM
507.181 C10 H16 N5 O13 P3 c1nc(...
MG A:441;
A:442;
B:441;
B:442;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:833;
B:834;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DNT 1.66 Å NON-ENZYME: OTHER STRUCTURES OF MDT PROTEINS ESCHERICHIA COLI MDT PERSISTENCE MULTIDRUG RESISTANCE TOLERANCE TRANSFERASE
Ref.: MOLECULAR MECHANISMS OF HIPA-MEDIATED MULTIDRUG TOLERANCE AND ITS NEUTRALIZATION BY HIPB. SCIENCE V. 323 396 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3DNT Kd = 18 uM ATP C10 H16 N5 O13 P3 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 1068 families.
1 3DNT Kd = 18 uM ATP C10 H16 N5 O13 P3 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 922 families.
1 3DNT Kd = 18 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 404
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 SAP 0.84 0.945946
10 AGS 0.84 0.945946
11 AN2 0.810811 0.985915
12 25L 0.809524 0.985915
13 APR 0.802632 0.971831
14 AR6 0.802632 0.971831
15 M33 0.8 0.958333
16 TAT 0.794872 0.958904
17 ACQ 0.794872 0.972222
18 AD9 0.792208 0.972222
19 ACP 0.789474 0.972222
20 A 0.788732 0.971429
21 AMP 0.788732 0.971429
22 ANP 0.772152 0.972222
23 ADX 0.753247 0.873418
24 CA0 0.753247 0.945205
25 A22 0.746988 0.985915
26 50T 0.74359 0.958333
27 APC 0.734177 0.958904
28 PRX 0.734177 0.893333
29 ABM 0.733333 0.917808
30 ATF 0.731707 0.958904
31 ITT 0.730769 0.943662
32 7D4 0.730769 0.905405
33 ADQ 0.729412 0.945205
34 AMP MG 0.72 0.891892
35 AP2 0.714286 0.958904
36 A12 0.714286 0.958904
37 A1R 0.709302 0.907895
38 SRA 0.706667 0.918919
39 5AL 0.698795 0.931507
40 OAD 0.693182 0.945205
41 ADP MG 0.6875 0.905405
42 AU1 0.6875 0.972222
43 SRP 0.682353 0.906667
44 G5P 0.680851 0.921053
45 BEF ADP 0.679012 0.881579
46 ADP BEF 0.679012 0.881579
47 25A 0.678161 0.971831
48 3OD 0.677778 0.945205
49 4AD 0.670455 0.92
50 G3A 0.670213 0.921053
51 00A 0.662921 0.883117
52 ADV 0.662651 0.932432
53 ADP PO3 0.662651 0.943662
54 RBY 0.662651 0.932432
55 BIS 0.659341 0.933333
56 5SV 0.659091 0.848101
57 8QN 0.659091 0.931507
58 OOB 0.659091 0.931507
59 GTA 0.65625 0.886076
60 ATP MG 0.654762 0.905405
61 UP5 0.653061 0.92
62 AMO 0.651685 0.932432
63 PAJ 0.651685 0.884615
64 2A5 0.650602 0.918919
65 MAP 0.647727 0.945946
66 3AT 0.647059 0.971831
67 AHX 0.644444 0.896104
68 DLL 0.644444 0.931507
69 PAP 0.642857 0.985714
70 ATR 0.642857 0.971429
71 PTJ 0.641304 0.896104
72 7D3 0.6375 0.905405
73 3UK 0.637363 0.918919
74 SON 0.634146 0.932432
75 A4P 0.633663 0.843373
76 ALF ADP 0.632184 0.87013
77 ADP ALF 0.632184 0.87013
78 LAD 0.630435 0.860759
79 WAQ 0.630435 0.883117
80 PR8 0.630435 0.85
81 AFH 0.628866 0.884615
82 DTP 0.627907 0.905405
83 GAP 0.627907 0.893333
84 ANP MG 0.625 0.894737
85 VO4 ADP 0.625 0.931507
86 ADP VO4 0.625 0.931507
87 1ZZ 0.623656 0.839506
88 TXA 0.623656 0.932432
89 FYA 0.623656 0.905405
90 ME8 0.623656 0.839506
91 NB8 0.623656 0.896104
92 T5A 0.621359 0.841463
93 RAB 0.619718 0.84507
94 ADN 0.619718 0.84507
95 XYA 0.619718 0.84507
96 9SN 0.610526 0.871795
97 48N 0.61 0.896104
98 AP0 0.607843 0.896104
99 FA5 0.604167 0.906667
100 YAP 0.604167 0.894737
101 TXD 0.60396 0.907895
102 6V0 0.60396 0.896104
103 NXX 0.60396 0.932432
104 NAI 0.60396 0.907895
105 DND 0.60396 0.932432
106 NAX 0.60396 0.873418
107 ADP BMA 0.602151 0.918919
108 A2R 0.6 0.985915
109 OMR 0.598039 0.851852
110 TXE 0.598039 0.907895
111 XAH 0.597938 0.839506
112 DAL AMP 0.593407 0.905405
113 7DT 0.593023 0.985714
114 AOC 0.592593 0.821918
115 4UV 0.591837 0.894737
116 DDS 0.590909 0.878378
117 139 0.590476 0.873418
118 CNA 0.584906 0.932432
119 6AD 0.58427 0.909091
120 5AS 0.583333 0.77907
121 5N5 0.581081 0.819444
122 4UU 0.58 0.894737
123 4TC 0.576923 0.896104
124 ADJ 0.575472 0.851852
125 5CD 0.573333 0.805556
126 A4D 0.573333 0.819444
127 RGT 0.571429 0.958904
128 A3P 0.571429 0.971429
129 7D5 0.56962 0.878378
130 LAQ 0.568627 0.839506
131 YLP 0.563107 0.819277
132 A A 0.5625 0.944444
133 UPA 0.561905 0.907895
134 AV2 0.56044 0.917808
135 COD 0.559633 0.811765
136 4UW 0.557692 0.860759
137 JB6 0.556701 0.883117
138 3AM 0.555556 0.929577
139 ATP A A A 0.555556 0.930556
140 A2P 0.552941 0.957143
141 TYM 0.552381 0.906667
142 NA7 0.552083 0.958904
143 EP4 0.551282 0.753247
144 MYR AMP 0.55102 0.817073
145 PPS 0.549451 0.873418
146 YLB 0.54717 0.819277
147 YLC 0.54717 0.839506
148 NAD 0.545455 0.931507
149 DAT 0.545455 0.905405
150 G5A 0.544444 0.77907
151 M2T 0.544304 0.734177
152 DTA 0.544304 0.786667
153 3DH 0.54321 0.773333
154 128 0.542857 0.776471
155 AHZ 0.538462 0.817073
156 SSA 0.537634 0.8
157 GTP 0.537634 0.92
158 MTA 0.5375 0.773333
159 IOT 0.537037 0.831325
160 A3D 0.535714 0.918919
161 TYR AMP 0.534653 0.881579
162 AR6 AR6 0.533981 0.917808
163 7MD 0.533981 0.8625
164 YLA 0.53211 0.819277
165 AMP DBH 0.529412 0.893333
166 IMO 0.529412 0.929577
167 TAD 0.528846 0.884615
168 AYB 0.527273 0.809524
169 A5A 0.526882 0.807229
170 TSB 0.526316 0.819277
171 EAD 0.525424 0.873418
172 2AM 0.52439 0.943662
173 6RE 0.52381 0.759494
174 7DD 0.522727 0.985714
175 V3L 0.521739 0.971831
176 AVV 0.520833 0.896104
177 BTX 0.517857 0.841463
178 NAE 0.517241 0.894737
179 54H 0.515789 0.788235
180 VMS 0.515789 0.788235
181 52H 0.515789 0.77907
182 NSS 0.515464 0.8
183 BT5 0.513274 0.831325
184 NAQ 0.512821 0.871795
185 ZAS 0.511905 0.766234
186 A3N 0.511628 0.786667
187 J7C 0.511628 0.769231
188 5X8 0.511111 0.763158
189 53H 0.510417 0.77907
190 5CA 0.510417 0.8
191 ARU 0.510204 0.860759
192 ARG AMP 0.509434 0.829268
193 AF3 ADP 3PG 0.509259 0.8375
194 LA8 ALF 3PG 0.509259 0.8375
195 ALF ADP 3PG 0.509259 0.8375
196 ZID 0.508475 0.918919
197 P1H 0.508197 0.851852
198 OVE 0.505882 0.905405
199 S4M 0.505747 0.666667
200 LPA AMP 0.504673 0.817073
201 7MC 0.504587 0.841463
202 DZD 0.5 0.884615
203 LSS 0.5 0.761364
204 DSZ 0.5 0.8
205 P5A 0.5 0.744444
206 DSH 0.5 0.725
207 FB0 0.5 0.804598
208 MAO 0.5 0.759036
209 NDE 0.495935 0.932432
210 N0B 0.495798 0.819277
211 M24 0.495726 0.85
212 YLY 0.495726 0.809524
213 NJP 0.495575 0.945946
214 NVA LMS 0.494949 0.761364
215 MGP 0.494737 0.884615
216 6C6 0.494624 0.881579
217 NAJ PZO 0.491379 0.848101
218 0WD 0.491228 0.921053
219 LEU LMS 0.49 0.761364
220 6G0 0.489583 0.884615
221 GJV 0.488636 0.75
222 6FA 0.488189 0.841463
223 5AD 0.486842 0.746479
224 GSU 0.485149 0.77907
225 KAA 0.485149 0.752809
226 71V 0.483146 0.907895
227 NEC 0.482759 0.746667
228 A3G 0.482759 0.8
229 NAD IBO 0.482456 0.87013
230 ODP 0.482456 0.909091
231 FAS 0.48062 0.851852
232 FAD 0.48062 0.851852
233 7D7 0.480519 0.743243
234 FDA 0.480315 0.833333
235 N6P 0.48 0.915493
236 2SA 0.479167 0.932432
237 GP3 0.478723 0.921053
238 4TA 0.478261 0.807229
239 G A A A 0.478261 0.871795
240 SFG 0.478261 0.75
241 NPW 0.477876 0.886076
242 NDP 0.477876 0.921053
243 NDC 0.47619 0.871795
244 YSA 0.47619 0.77907
245 MGO 0.474227 0.860759
246 6IA 0.473684 0.8375
247 TXP 0.473684 0.921053
248 GDP 0.473684 0.92
249 NZQ 0.473684 0.909091
250 A7D 0.472527 0.776316
251 SFD 0.469231 0.734043
252 ZDA 0.468085 0.864865
253 SA8 0.468085 0.707317
254 A5D 0.468085 0.786667
255 12D 0.46789 0.785714
256 PGS 0.467391 0.883117
257 MHZ 0.467391 0.697674
258 62F 0.466165 0.8625
259 DA 0.465909 0.878378
260 D5M 0.465909 0.878378
261 GGZ 0.464646 0.825
262 SAH 0.463158 0.74359
263 SAI 0.463158 0.734177
264 NAJ PYZ 0.46281 0.85
265 FAY 0.462687 0.8625
266 Y3J 0.4625 0.726027
267 PO4 PO4 A A A A PO4 0.460784 0.902778
268 AAM 0.460674 0.971429
269 RFL 0.459259 0.821429
270 SMM 0.459184 0.686047
271 AMZ 0.458824 0.916667
272 C2R 0.458824 0.90411
273 SAM 0.458333 0.690476
274 A3S 0.456522 0.810811
275 FNK 0.455224 0.804598
276 7C5 0.453704 0.818182
277 AAT 0.453608 0.707317
278 EEM 0.453608 0.690476
279 XNP 0.452991 0.873418
280 AIR 0.451219 0.901408
281 62X 0.45098 0.666667
282 GSP 0.45 0.873418
283 ETB 0.45 0.833333
284 DCA 0.45 0.823529
285 U A G G 0.449153 0.883117
286 NIA 0.448276 0.822785
287 AMP NAD 0.447154 0.881579
288 A3T 0.446809 0.821918
289 K15 0.446602 0.682353
290 A A A 0.446602 0.905405
291 PUA 0.446281 0.884615
292 6K6 0.445545 0.930556
293 GEK 0.445545 0.7375
294 4YB 0.445455 0.761364
295 S7M 0.444444 0.690476
296 DG1 0.443548 0.921053
297 1DG 0.443548 0.921053
298 Z5A 0.443548 0.77907
299 COA 0.442623 0.823529
300 0T1 0.442623 0.823529
301 WSA 0.442478 0.788235
302 8BR 0.43956 0.906667
303 101 0.438202 0.878378
304 IDP 0.4375 0.918919
305 NAP 0.435484 0.945205
306 APU 0.434783 0.894737
307 A U 0.434783 0.87013
308 7RP 0.433333 0.928571
309 A6D 0.432692 0.722892
310 CAO 0.432 0.795455
311 AMX 0.432 0.833333
312 COS 0.432 0.804598
313 TAP 0.432 0.907895
314 J7V 0.432 0.833333
315 30N 0.432 0.752688
316 V1N 0.431193 0.917808
317 649 0.429825 0.744444
318 P5F 0.429577 0.823529
319 NA0 0.428571 0.932432
320 CMX 0.428571 0.823529
321 7RA 0.428571 0.957747
322 SCO 0.428571 0.823529
323 0UM 0.427184 0.698795
324 GAV 0.427184 0.884615
325 ACK 0.426966 0.861111
326 1RB 0.426966 0.885714
327 QQY 0.426966 0.815789
328 GCP 0.425743 0.896104
329 G1R 0.425743 0.907895
330 FAM 0.425197 0.804598
331 FCX 0.425197 0.795455
332 ACO 0.425197 0.795455
333 GNH 0.424242 0.907895
334 F2N 0.423611 0.813953
335 GDC 0.422018 0.884615
336 GDD 0.422018 0.884615
337 GKE 0.422018 0.884615
338 HAX 0.421875 0.804598
339 3AD 0.421687 0.805556
340 GNP 0.421569 0.896104
341 FA9 0.42069 0.864198
342 KB1 0.420561 0.698795
343 TM1 0.420561 0.77381
344 H6Y 0.42 0.945205
345 2MC 0.419847 0.769231
346 3KK 0.418605 0.804598
347 FYN 0.418605 0.823529
348 S8M 0.417476 0.759494
349 2VA 0.416667 0.8
350 NHD 0.416667 0.905405
351 26A 0.416667 0.763158
352 QQX 0.41573 0.805195
353 SOP 0.415385 0.804598
354 OXK 0.415385 0.804598
355 COK 0.415385 0.804598
356 MCD 0.415385 0.804598
357 CA6 0.415385 0.729167
358 YE1 0.413534 0.813953
359 FAI 0.413043 0.916667
360 AS 0.413043 0.833333
361 RMB 0.413043 0.873239
362 1VU 0.412214 0.795455
363 CO6 0.412214 0.804598
364 CMC 0.412214 0.804598
365 NMX 0.412214 0.76087
366 SXZ 0.411215 0.710843
367 ANZ 0.410714 0.8
368 SCA 0.410448 0.804598
369 PLP AAD 0.409836 0.741573
370 SCD 0.409091 0.823529
371 CAJ 0.409091 0.804598
372 NAD BBN 0.408759 0.841463
373 NVA 2AD 0.408163 0.74359
374 D3Y 0.407767 0.789474
375 CC5 0.407407 0.816901
376 U G A 0.407407 0.839506
377 KH3 0.40708 0.674419
378 SLU 0.406504 0.770115
379 G 0.40625 0.906667
380 5GP 0.40625 0.906667
381 BCO 0.406015 0.804598
382 IVC 0.406015 0.813953
383 A1S 0.406015 0.804598
384 MLC 0.406015 0.804598
385 3HC 0.406015 0.813953
386 1HE 0.406015 0.786517
387 GTG 0.405405 0.886076
388 NMN AMP PO4 0.404959 0.87013
389 3D1 0.404762 0.773333
390 3L1 0.404762 0.773333
391 CMP 0.404255 0.901408
392 2BA 0.404255 0.915493
393 SO8 0.40404 0.789474
394 VRT 0.40404 0.769231
395 MCA 0.402985 0.795455
396 CAA 0.402985 0.813953
397 COO 0.402985 0.804598
398 NAD CJ3 0.402878 0.811765
399 G2R 0.401869 0.884615
400 3NZ 0.401869 0.782051
401 ZZB 0.4 0.77381
402 MC4 0.4 0.76087
403 2FA 0.4 0.813333
404 2CP 0.4 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DNT; Ligand: ATP; Similar sites found: 160
This union binding pocket(no: 1) in the query (biounit: 3dnt.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1H8G CHT 0.0003606 0.53547 None
2 1UO5 PIH 0.02017 0.4378 None
3 1UO4 PIH 0.03964 0.41373 None
4 3GTD MLI 0.01631 0.40368 1.13636
5 3PLN U5P 0.008772 0.41044 1.17925
6 1WDA BAG 0.002375 0.42903 1.36364
7 4OB6 S2T 0.001886 0.41383 1.46628
8 2Q8H TF4 0.000665 0.49792 1.4742
9 4M5P 23W 0.01144 0.42791 1.4742
10 4M5P MLA 0.04452 0.41099 1.4742
11 2AG8 NAP 0.00066 0.41316 1.52091
12 3GE7 AFQ 0.001694 0.40628 1.5544
13 1TDF NAP 0.003167 0.4265 1.58228
14 4WVH ASP HIS ASP ALA HIS ALA 0.0003109 0.46526 1.59091
15 1GEX PLP HSA 0.0004982 0.41301 1.68539
16 2ZWS PLM 0.0005508 0.52521 1.81818
17 4QVH FLC 0.00372 0.4259 1.81818
18 4J7H TRH 0.001128 0.40936 1.81818
19 2ZJF BSU 0.003233 0.41855 1.9337
20 2C2A ADP 0.0003778 0.4344 1.93798
21 4GO7 THR 0.004993 0.41103 2
22 3P3N AKG 0.003058 0.44184 2.00573
23 2WA4 069 0.005978 0.40355 2.00573
24 1B5E DCM 0.006881 0.41004 2.03252
25 1GJW GLC 0.004606 0.44022 2.04545
26 1GJW MAL 0.005648 0.40889 2.04545
27 2W3L DRO 0.01038 0.43707 2.08333
28 4KOA NDP 0.002957 0.40271 2.1021
29 4JWX 1N4 0.01537 0.40007 2.14286
30 3MAG 3MA 0.004289 0.46549 2.28013
31 3ZF8 GDP 0.003966 0.41502 2.29508
32 1H0C AOA 0.008582 0.42747 2.29592
33 3CH5 GDP 0.004877 0.40697 2.31481
34 4M51 BEZ 0.005784 0.44245 2.34192
35 3DGB MUC 0.005382 0.40531 2.35602
36 3QV9 QV7 0.004132 0.4299 2.5
37 1WRA PC 0.007419 0.43046 2.5974
38 5RHN 8BR 0.002847 0.4073 2.6087
39 1DR1 NAP 0.0007489 0.42304 2.6455
40 1DR1 HBI 0.0007489 0.42304 2.6455
41 2VDJ HSE 0.01596 0.4208 2.65781
42 1Q0H NDP 0.003398 0.41078 2.70936
43 1Q0H FOM 0.004565 0.40454 2.70936
44 4KCT PYR 0.0003167 0.46493 2.72727
45 3F81 STT 0.03726 0.40853 2.73224
46 2F2U M77 0.005782 0.40849 2.73632
47 1Y42 TYR 0.002349 0.43474 2.80612
48 2YVF FAD 0.008701 0.40465 2.94118
49 1YHM AHD 0.009829 0.41337 3.03867
50 3A2Y TS5 0.001153 0.41721 3.04569
51 4NAO AKG 0.002595 0.45195 3.06748
52 3TKA CTN 0.01725 0.45342 3.17003
53 2IZ1 ATR 0.01008 0.4183 3.18182
54 2ZJ5 ADP 0.01486 0.40545 3.18182
55 1Z44 NPO 0.007192 0.46292 3.25444
56 2NCD ADP 0.008167 0.4169 3.33333
57 3SHR CMP 0.002488 0.42308 3.34448
58 1Y75 NAG 0.009241 0.40477 3.38983
59 1F1V DHY 0.001527 0.4369 3.40557
60 3CQ5 PMP 0.005637 0.41361 3.52304
61 3JQ3 ADP 0.007316 0.40441 3.55191
62 4C6F NCD 0.001265 0.43477 3.56234
63 4C6F DOR 0.001265 0.43477 3.56234
64 1UF5 CDT 0.003731 0.41607 3.63036
65 4DYO SD4 0.01139 0.40103 3.63636
66 1Q3Q ANP 0.005517 0.40821 3.64964
67 1NPL MAN 0.00434 0.48412 3.66972
68 1MDZ DCS 0.001013 0.41363 3.81679
69 1MDZ PLP 0.001013 0.41229 3.81679
70 2QF7 COA 0.002877 0.41136 3.86364
71 2Q37 3AL 0.0102 0.41267 3.8674
72 3VPD ANP 0.0003063 0.40798 3.91459
73 2ZYF AKG 0.009101 0.40504 3.9267
74 4E28 9MZ 0.01426 0.41142 4
75 4E28 0MZ 0.01854 0.40121 4
76 1QZZ SAM 0.002046 0.41692 4.01069
77 2IMP NAI 0.0131 0.40694 4.09091
78 4F8L GAL 0.01676 0.44232 4.13793
79 4LWM MHO 0.02483 0.41907 4.14747
80 1R6D NAD 0.006014 0.40612 4.1543
81 2QCX PF1 0.009898 0.41323 4.18251
82 1DBT U5P 0.000862 0.41739 4.1841
83 2Y6P CTP 0.000868 0.44128 4.2735
84 3LTW HLZ 0.01202 0.4148 4.28571
85 2C7G ODP 0.001761 0.42588 4.31818
86 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.0009046 0.42372 4.31818
87 2AMV BIN 0.00296 0.4146 4.31818
88 3P7I P7I 0.006489 0.41601 4.36137
89 4NAT ADP 0.007407 0.4173 4.375
90 3GM5 CIT 0.01315 0.41303 4.40252
91 2G86 UMP 0.00442 0.40764 4.43038
92 1CKM GTP 0.004846 0.4163 4.54545
93 2Y7P SAL 0.01012 0.40781 4.58716
94 3NOJ PYR 0.003022 0.43292 4.62185
95 1FW1 GSH 0.003139 0.40994 4.62963
96 1ULE GLA GAL NAG 0.001129 0.47715 4.66667
97 3F3E LEU 0.002823 0.40369 4.77273
98 2PP3 LGT 0.002904 0.41121 4.77387
99 3QP4 HL0 0.003929 0.4022 4.94506
100 3MD0 GDP 0.005139 0.41526 5.07042
101 1MZV AMP 0.00369 0.41626 5.10638
102 1O9U ADZ 0.002592 0.46783 5.14286
103 1V6A TRE 0.003964 0.43068 5.22727
104 4PLG OXM 0.002934 0.40313 5.38922
105 4PLG NAI 0.002934 0.40313 5.38922
106 3I51 45C 0.005574 0.40472 5.55556
107 4K30 NLG 0.009798 0.4084 5.625
108 2XDQ MGX 0.007455 0.44443 5.68182
109 1Y9Q MED 0.01305 0.41318 5.72917
110 1BGQ RDC 0.001208 0.40248 5.77778
111 3S9K CIT 0.00241 0.46606 5.9322
112 3UEC ALA ARG TPO LYS 0.004723 0.43971 6.16438
113 1NU4 MLA 0.005718 0.41335 6.18557
114 2JFV FLC 0.01748 0.40738 6.18557
115 3QDT A2G GAL 0.005653 0.44293 6.29371
116 3QDY CBS 0.01027 0.4238 6.29371
117 4B9E FAH 0.02197 0.40814 6.31229
118 2YPO PHE 0.0009878 0.40984 6.36364
119 3I0O SMI 0.0102 0.41265 6.48968
120 1G8S MET 0.01648 0.40855 6.52174
121 1Y1A GSH 0.006332 0.46902 6.55738
122 4JCA CIT 0.002593 0.47713 6.58683
123 2B7N NTM 0.002607 0.43867 6.59341
124 2CSN CKI 0.0009348 0.40438 6.73401
125 4RJK PYR 0.004387 0.44832 6.81818
126 1Z4V DAN 0.004701 0.40759 6.81818
127 2JGS BTN 0.01694 0.40056 6.92308
128 1C1L GAL BGC 0.004217 0.44202 7.29927
129 1N9L FMN 0.002305 0.40264 7.33945
130 3KJQ B94 0.004199 0.40948 7.36842
131 1RZM E4P 0.00592 0.43508 7.39645
132 1RZM PEP 0.006611 0.41566 7.39645
133 1BTN I3P 0.0147 0.45179 7.54717
134 1XX4 BAM 0.002939 0.46505 8.04598
135 4FR3 0V4 0.007604 0.41185 8.11966
136 4FR3 LYS ARG ARG LYS SEP VAL 0.008194 0.41065 8.11966
137 1QJC PNS 0.005656 0.40668 8.22785
138 1A27 EST 0.004211 0.4011 8.3045
139 2QLX RM4 0.003524 0.4457 8.33333
140 3FC2 IBI 0.001796 0.40143 8.35821
141 3BY8 MLT 0.003847 0.4439 9.15493
142 2OFE NAG 0.0173 0.40758 9.15493
143 1M5B BN1 0.002012 0.42539 9.5057
144 1PEA ACM 0.01845 0.4177 9.61039
145 2BOI MFU 0.008098 0.41192 9.73451
146 2EB5 OXL 0.003475 0.43932 9.73783
147 2V5E SCR 0.001116 0.49661 10
148 1Y2W NAG 0.01592 0.40924 10.5634
149 2FYU FDN 0.0008376 0.41782 10.9091
150 2Z9V PXM 0.003643 0.42665 11.7347
151 3K3G MMU 0.0008063 0.45764 11.7647
152 1SS4 CIT 0.04072 0.44393 12.4183
153 1SS4 GSH 0.02553 0.43328 12.4183
154 1WGC SIA GAL BGC 0.02033 0.42937 14.0351
155 2IYG FMN 0.002423 0.41871 14.5161
156 1T0S BML 0.03938 0.40139 15.1163
157 1ECM TSA 0.008537 0.40619 26.6055
158 2FOI JPA 0.007687 0.40355 31.6667
159 4GYW UDP 0.002056 0.40351 35.7143
160 4PU5 ANP 0.00153 0.45548 43.1818
Pocket No.: 2; Query (leader) PDB : 3DNT; Ligand: ATP; Similar sites found: 280
This union binding pocket(no: 2) in the query (biounit: 3dnt.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EOB 5QQ 0.02296 0.40022 1.25392
2 5AWM ANP 0.0008688 0.47098 1.26904
3 2WU6 DKI 0.001728 0.42287 1.31234
4 3X01 AMP 0.003172 0.45481 1.36364
5 5JLB SAH 0.002385 0.4357 1.43369
6 3V4S ATP 0.001299 0.43161 1.55039
7 4AZT LY2 0.01201 0.41477 1.59091
8 2X2M X2M 0.00205 0.42325 1.59236
9 4H3Q ANP 0.0004583 0.44671 1.65746
10 4H3P ANP 0.008032 0.4079 1.65746
11 5BVE 4VG 0.001046 0.46533 1.66205
12 3M2W L8I 0.001152 0.45974 1.67224
13 2ZV2 609 0.001626 0.45759 1.67785
14 5A6N U7E 0.001278 0.41249 1.76678
15 1TZD ADP 0.0004488 0.4903 1.81818
16 2IO8 ADP 0.000264 0.4526 1.81818
17 4WNK 453 0.0006782 0.44436 1.81818
18 2YRX AMP 0.005533 0.4423 1.81818
19 4TWP AXI 0.001149 0.45089 1.84502
20 4XLI 1N1 0.01391 0.40397 1.86567
21 3SAO DBH 0.004585 0.4577 1.875
22 3LXN MI1 0.0002572 0.46564 1.88679
23 1W2D ADP 0.00169 0.45677 1.88679
24 4X7Q 3YR 0.00009077 0.49532 1.92308
25 2YAB AMP 0.0001766 0.44502 1.93906
26 4P5Z Q7M 0.006296 0.41252 1.93906
27 4L3L 5FI 0.003988 0.41232 1.97368
28 5DEY 59T 0.02091 0.40131 2.0202
29 4JDI ANP 0.003306 0.4179 2.02312
30 1XJD STU 0.00009339 0.48955 2.02899
31 3KRR DQX 0.0003963 0.48605 2.0339
32 3VSV XYS 0.01621 0.41822 2.04545
33 2VQD AP2 0.007117 0.40355 2.04545
34 4OTH DRN 0.000649 0.44432 2.05279
35 5A61 3PO 0.01041 0.41376 2.06897
36 4OH4 ANP 0.003209 0.42582 2.1021
37 2CI5 HCS 0.02125 0.40962 2.11268
38 5TO8 7FM 0.01038 0.40423 2.12766
39 4CLI 5P8 0.004182 0.42539 2.14067
40 1BYG STU 0.003862 0.43018 2.15827
41 3TY5 ADP 0.0004234 0.47524 2.17918
42 3TY5 ATP 0.002154 0.45158 2.17918
43 1OUK 084 0.005086 0.45285 2.18579
44 2PUL ACP 0.001146 0.45032 2.267
45 3ZGE ASP 0.005901 0.44706 2.27273
46 5MW8 ATP 0.0009024 0.42788 2.27273
47 3IGO ANP 0.006828 0.40117 2.27273
48 3ZDS M8O 0.02343 0.40428 2.30947
49 5HX8 66P 0.0001119 0.45549 2.31788
50 4ME6 ADP 0.0001238 0.52848 2.33161
51 3PGU OLA 0.0104 0.41785 2.34192
52 3PLS ANP 0.003224 0.42969 2.34899
53 5MY8 RXZ 0.004607 0.40383 2.34987
54 3DLS ADP 0.00004249 0.45172 2.38806
55 4E1Z 0MX 0.0002673 0.45639 2.4055
56 4JR7 GNP 0.00004626 0.4605 2.40642
57 4WNP 3RJ 0.00131 0.45707 2.43902
58 3LXK MI1 0.0002384 0.43634 2.44648
59 4YZC STU 0.0009952 0.44563 2.46914
60 1GSA ADP 0.001041 0.43198 2.53165
61 5I35 ANP 0.00003119 0.52209 2.54453
62 2Z48 A2G 0.02107 0.41268 2.5463
63 5EW9 5VC 0.03008 0.4156 2.58303
64 1U5R ATP 0.003087 0.43055 2.58621
65 5H2U 1N1 0.01655 0.40041 2.62172
66 2JDR L20 0.002338 0.44637 2.63158
67 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.002338 0.44637 2.63158
68 4YMJ 4EJ 0.009375 0.42871 2.63158
69 1ZY5 ANP 0.004734 0.42203 2.64026
70 5JZJ AN2 0.0005868 0.41767 2.6936
71 4IRX INS 0.01209 0.41463 2.7027
72 5W2I I3P 0.003775 0.40573 2.72374
73 5W2I ADP 0.003775 0.40573 2.72374
74 1CM8 ANP 0.003272 0.4294 2.7248
75 2PZI AXX 0.002269 0.44561 2.72727
76 4N9Z V3L 0.007412 0.40531 2.72727
77 5DMZ ADP 0.0005626 0.45977 2.73973
78 2FN1 PYR 0.03073 0.40734 2.746
79 3ALN ANP 0.003442 0.41715 2.75229
80 4LH7 1X8 0.00005703 0.54545 2.78638
81 4C01 QY9 0.01028 0.41992 2.83688
82 4WOV 3SM 0.01615 0.40455 2.83912
83 1EHI ADP 0.002154 0.42967 2.91777
84 4I6H 1C8 0.005077 0.41687 2.92208
85 5GZ9 ANP 0.0014 0.42022 2.95082
86 4U98 ACP 0.0008295 0.45675 2.95455
87 5DXT 5H5 0.0003658 0.4234 2.95455
88 1T36 ADP 0.001552 0.40757 2.95455
89 4BTK DTQ 0.0001365 0.44329 2.96736
90 2V7O DRN 0.000278 0.50164 2.97619
91 5IH9 6BF 0.008814 0.40405 2.98507
92 2PVF ACP 0.00116 0.45006 2.99401
93 4BHN BH9 0.0006518 0.44827 2.99401
94 4U44 3D9 0.001106 0.41074 3.01205
95 2XMY CDK 0.004686 0.43789 3.02013
96 4BCN T9N 0.001037 0.46195 3.05344
97 4CFU 2WC 0.003209 0.43396 3.05344
98 4BCQ TJF 0.008089 0.42325 3.05344
99 2YW2 ATP 0.0004919 0.45353 3.06604
100 4K33 ACP 0.001586 0.43552 3.07692
101 3KN5 ANP 0.001401 0.40084 3.07692
102 1TE2 PGA 0.02104 0.41331 3.09735
103 1U59 STU 0.00006551 0.50167 3.13589
104 4FG8 ATP 0.0004776 0.45408 3.1746
105 1TQP ATP 0.0001448 0.46317 3.19149
106 4Y0X ADP 0.0002273 0.42782 3.2
107 1E4E ADP 0.0006631 0.45215 3.207
108 1Q8Y ADE 0.00572 0.43535 3.21716
109 1Q8Y ADP 0.002785 0.42112 3.21716
110 2RIO ADP 0.001641 0.44315 3.22581
111 4NFN 2KC 0.0001062 0.49769 3.23625
112 5AX9 4KT 0.00115 0.41002 3.24675
113 1MID LAP 0.01588 0.40877 3.2967
114 5LI1 ANP 0.0004066 0.43815 3.38983
115 3UDZ ADP 0.0001015 0.45138 3.40909
116 5NCY 8TK 0.000371 0.4192 3.40909
117 4FL3 ANP 0.003714 0.41235 3.40909
118 2A19 ANP 0.001974 0.45345 3.42857
119 5LI9 ACP 0.001324 0.43896 3.42857
120 4A9C B5F 0.009651 0.43584 3.48101
121 5U6C 7YS 0.0008315 0.42462 3.49206
122 3G5D 1N1 0.01391 0.41077 3.4965
123 5UR1 YY9 0.01293 0.40304 3.53698
124 3FHR P4O 0.003964 0.41802 3.57143
125 4ZS4 ATP 0.001792 0.43318 3.58306
126 5C1P DAL DAL 0.005575 0.40044 3.59477
127 1VJY 460 0.0009562 0.44106 3.63036
128 2IF8 ADP 0.0004508 0.49752 3.63636
129 3HZT J60 0.001282 0.46267 3.63636
130 3ETH ATP 0.0005132 0.44862 3.63636
131 4GJ3 0XP 0.001119 0.40031 3.64238
132 3GGF GVD 0.002379 0.44006 3.65448
133 3UIM ANP 0.001603 0.43936 3.68098
134 5UOX 8GY 0.0007631 0.44135 3.69004
135 4OCV ANP 0.00008732 0.49083 3.69393
136 4OCJ NDG 0.00003467 0.4255 3.69393
137 3RFA SAM 0.01052 0.40261 3.71287
138 4NW6 2NS 0.0007231 0.40387 3.71517
139 2Z7R STU 0.0008179 0.44008 3.73832
140 3MVH WFE 0.001645 0.42835 3.80117
141 1V0O INR 0.001348 0.43862 3.81944
142 3RI1 3RH 0.0002155 0.44571 3.83387
143 4UWH JXM 0.000248 0.48614 3.86364
144 2GK6 ADP 0.01491 0.4187 3.86364
145 2B9J ADP 0.00211 0.43815 3.96601
146 2B9I ADP 0.002064 0.43444 3.96601
147 2B9F ADP 0.002877 0.42796 3.96601
148 2B9H ADP 0.001797 0.4047 3.96601
149 2VN9 GVD 0.002448 0.45397 3.98671
150 3PDT ADP 0.006245 0.42037 4
151 3VOT ADP 0.0004718 0.40245 4
152 4O4F IHP 0.0007552 0.4376 4.03226
153 4O4F ATP 0.0007133 0.43689 4.03226
154 4OKD GLC GLC GLC 0.02692 0.40274 4.09091
155 2F57 23D 0.005013 0.42486 4.10095
156 1SQL GUN 0.03131 0.40479 4.10959
157 4WVW SLT 0.01366 0.42185 4.16667
158 4R78 AMP 0.008544 0.42653 4.20712
159 4IDT T28 0.0004298 0.46985 4.21348
160 4WB6 ATP 0.0002006 0.46121 4.28571
161 2R5T ANP 0.0006897 0.4432 4.28954
162 3AKK ADP 0.00000004676 0.57716 4.30769
163 2CFM AMP 0.004232 0.43713 4.31818
164 1ZX5 LFR 0.01709 0.41431 4.31818
165 4CYI ATP 0.003178 0.41521 4.3379
166 1PHK ATP 0.0007475 0.41987 4.36242
167 4CC6 L5Y 0.0002591 0.50318 4.40252
168 2JLD AG1 0.0006802 0.41111 4.52381
169 4UAL 3FV 0.001137 0.41214 4.53461
170 5FI4 5XV 0.001701 0.41978 4.54545
171 1CKN GTP 0.01355 0.41638 4.54545
172 4GLW 0XT 0.001363 0.46681 4.59016
173 5IQD RIO 0.0004932 0.45992 4.59016
174 5IQD GNP 0.0004603 0.45992 4.59016
175 2Q7D ANP 0.001251 0.4154 4.62428
176 1ZTH ADP 0.0004642 0.48438 4.65116
177 1ZP9 ATP 0.0007669 0.46314 4.65116
178 3RE4 TO1 0.002423 0.44906 4.65116
179 4LRJ ANP 0.002627 0.43377 4.73373
180 3PE2 E1B 0.001113 0.45253 4.74777
181 5DH3 5BS 0.003482 0.41694 4.7619
182 4N70 2HX 0.0003717 0.47551 4.77273
183 1B4N GUA 0.02504 0.40637 4.77273
184 1BW9 PPY 0.009589 0.4116 4.77528
185 2VZ6 FEF 0.0007763 0.46798 4.79233
186 3BEO UDP 0.0044 0.42349 4.8
187 2WQN ADP 0.002752 0.44158 4.83871
188 3IWD M2T 0.02351 0.41066 4.83871
189 3SLS ANP 0.003403 0.41395 4.93421
190 4M69 ANP 0.002146 0.40394 4.947
191 5UIU 8CG 0.00293 0.4179 4.95356
192 1OYF MHN 0.03585 0.4013 4.95868
193 2HGS ADP 0.00189 0.42126 5
194 3ORQ ADP 0.003876 0.41493 5.03979
195 3TXO 07U 0.001492 0.44957 5.09915
196 3F7Z 34O 0.001335 0.40571 5.14286
197 4WTV ATP 0.001804 0.43705 5.22727
198 2PYW ADP 0.0001779 0.47253 5.2381
199 3TKI S25 0.003089 0.43848 5.26316
200 2HY0 306 0.006086 0.425 5.2795
201 4AU8 Z3R 0.0009513 0.46905 5.40541
202 3O0G 3O0 0.0004689 0.41547 5.47945
203 3DAK ANP 0.003326 0.43323 5.51724
204 4YLL 4E3 0.002812 0.40773 5.54017
205 3ORK AGS 0.002795 0.40715 5.78778
206 5JKG 6LF 0.0116 0.40111 5.78778
207 4GYI ADP 0.00008685 0.51366 5.79345
208 2AQX ATP 0.0002296 0.46334 5.88235
209 4OAV ACP 0.004061 0.42508 5.90909
210 2WEI VGG 0.01482 0.40267 5.92335
211 4EUU BX7 0.001484 0.41324 5.95611
212 2WEL K88 0.01321 0.42328 6
213 1MAI I3P 0.02537 0.40659 6.10687
214 1RE8 BD2 0.001086 0.453 6.28571
215 2QCS ANP 0.0003473 0.43754 6.28571
216 1VC9 ATP 0.008378 0.4225 6.34921
217 1IA9 ANP 0.0009804 0.44469 6.42857
218 4Y8D 49J 0.0118 0.40037 6.42857
219 3K5I ADP 0.001348 0.43469 6.45161
220 3I0O ADP 0.01327 0.41262 6.48968
221 2GU8 796 0.003374 0.43841 6.52819
222 1LK7 DER 0.01688 0.40361 6.55022
223 4F9C 0SX 0.0002111 0.48401 6.6482
224 3CY2 MB9 0.0001952 0.46203 6.6879
225 5N87 N66 0.009147 0.40336 6.70927
226 1VBO MAN MAN MAN 0.008604 0.42933 6.71141
227 3OFM 4B0 0.0003387 0.41108 6.85714
228 5HCY 60D 0.005137 0.42149 6.94864
229 5W4W 9WG 0.007616 0.40061 6.94864
230 3HAV ATP 0.001157 0.47844 7.02341
231 5X8I SQZ 0.0002857 0.47298 7.22543
232 4YZN 4K5 0.00131 0.42141 7.31707
233 3IDB ANP 0.000256 0.45716 7.45342
234 1OBD ATP 0.003603 0.43595 7.51634
235 1I0B PEL 0.003696 0.43666 7.53012
236 3V8S 0HD 0.0008933 0.45527 7.56098
237 1C1X HFA 0.007905 0.41953 7.60563
238 3PP0 03Q 0.001514 0.4119 7.69231
239 2H8H H8H 0.005382 0.41573 7.72727
240 4IZY 1J2 0.00489 0.41058 7.85908
241 4UX9 ANP 0.001008 0.44011 7.96703
242 5KO1 6UY 0.007716 0.41227 8.12721
243 3C0G 3AM 0.007096 0.42179 8.26211
244 3SRV S19 0.0002997 0.47703 8.30325
245 4F4P 0SB 0.007178 0.42594 8.42491
246 5VCV 1N1 0.004664 0.402 8.68167
247 4BFM ANP 0.001331 0.43492 8.68263
248 4EWH T77 0.001202 0.41189 8.72727
249 2HK5 1BM 0.007244 0.40321 8.88889
250 3VPB ADP 0.0007822 0.42846 8.92857
251 3FHI ANP 0.0003708 0.4365 9.09091
252 2PVN P63 0.0002023 0.43674 9.375
253 2BKK ADP 0.0009104 0.40202 9.4697
254 3TM0 ANP 0.0003489 0.41509 9.5057
255 3TM0 B31 0.000378 0.40994 9.5057
256 3GC0 AMP 0.004448 0.43155 9.72644
257 1OGX EQU 0.01455 0.40305 9.92366
258 4I94 ANP 0.009146 0.40887 10.3333
259 3ZJX BOG 0.02831 0.40553 10.3806
260 1UJ5 5RP 0.01206 0.41067 11.0132
261 4CNO 9PY 0.0287 0.40536 11.1111
262 5T8O 76Z 0.002522 0.42297 11.1748
263 5UKL SIX 0.004074 0.40908 11.2903
264 4ANW O92 0.00003471 0.44799 11.5909
265 5TDF ADP 0.001673 0.40955 12.037
266 3HCH RSM 0.02199 0.41298 12.3288
267 1IOW ADP 0.002941 0.42313 12.4183
268 1IOW PHY 0.002941 0.42313 12.4183
269 3GQI ACP 0.0007476 0.45423 12.8319
270 4AUA 4AU 0.0006963 0.40844 13.355
271 4Q5H ANP 0.00005932 0.5036 14.3678
272 3E5A VX6 0.001812 0.4141 15.9091
273 5LXM ADP 0.001276 0.40611 18.4211
274 3BU5 ATP 0.001513 0.44048 20
275 1RDS GPC 0.007046 0.4179 20
276 5HQ0 LZ9 0.0004718 0.43136 20.2381
277 3ZRM ZRM 0.001763 0.43751 21.875
278 4C2W ANP 0.009419 0.41999 23.0769
279 3NW7 LGV 0.0148 0.40317 25.4072
280 5G1X ADP 0.002301 0.43642 26.9841
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