Receptor
PDB id Resolution Class Description Source Keywords
4WB6 2.1 Å EC: 2.7.11.11 CRYSTAL STRUCTURE OF A L205R MUTANT OF HUMAN CAMP-DEPENDENT KINASE A (CATALYTIC ALPHA SUBUNIT) HOMO SAPIENS CUSHING-prime S SYNDROME PROTEIN KINASE PHOSPHORYLATION MUTANTADENOSINE TRIPHOSPHATE CATALYSIS
Ref.: STRUCTURAL INSIGHTS INTO MIS-REGULATION OF PROTEIN IN HUMAN TUMORS. PROC.NATL.ACAD.SCI.USA V. 112 1374 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:402;
B:403;
A:402;
A:403;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
ATP A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WB6 2.1 Å EC: 2.7.11.11 CRYSTAL STRUCTURE OF A L205R MUTANT OF HUMAN CAMP-DEPENDENT KINASE A (CATALYTIC ALPHA SUBUNIT) HOMO SAPIENS CUSHING-prime S SYNDROME PROTEIN KINASE PHOSPHORYLATION MUTANTADENOSINE TRIPHOSPHATE CATALYSIS
Ref.: STRUCTURAL INSIGHTS INTO MIS-REGULATION OF PROTEIN IN HUMAN TUMORS. PROC.NATL.ACAD.SCI.USA V. 112 1374 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4WB6 - 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 8 families.
1 4WB6 - 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 5 families.
1 4WB6 - 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 : 4WB6; Ligand: ATP; Similar sites found: 398
This union binding pocket(no: 1) in the query (biounit: 4wb6.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KA2 2NC 0.004809 0.42339 None
2 2CHT TSA 0.03425 0.40256 None
3 4U98 ACP 0.0009821 0.45685 1.42857
4 3WXL ADP 0.005503 0.44866 1.42857
5 4CS9 AMP 0.00886 0.41751 1.5873
6 4JGP PYR 0.02597 0.41059 1.84332
7 5C1P ADP 0.0004649 0.48228 1.96078
8 5C1P DAL DAL 0.003413 0.40772 1.96078
9 1EHI ADP 0.0025 0.43011 2
10 3K5I ADP 0.003262 0.42139 2
11 5U7W ADE 0.02702 0.4101 2
12 5AIP 4HP 0.02831 0.40814 2.05479
13 4CC6 L5Y 0.006365 0.43611 2.20126
14 3UDZ ADP 0.0000001531 0.53337 2.28571
15 4OYA 1VE 0.004104 0.43474 2.28571
16 5EVY SAL 0.03402 0.40365 2.28571
17 2CFM AMP 0.003622 0.44368 2.31729
18 5IGI ZIT 0.004539 0.4129 2.32558
19 5IGI GMP 0.004342 0.41257 2.32558
20 3I0O ADP 0.0001382 0.51409 2.35988
21 2GCG DGY 0.03168 0.40054 2.42424
22 1TZD ADP 0.00008343 0.53963 2.54545
23 2IF8 ADP 0.00002937 0.56305 2.57143
24 3X01 AMP 0.0004179 0.5049 2.57143
25 4PU5 ANP 0.00008809 0.48024 2.57143
26 4FFG 0U8 0.03199 0.41033 2.57143
27 1J78 OLA 0.04055 0.41013 2.57143
28 5KJW 53C 0.0401 0.40399 2.57143
29 1W2D ADP 0.0004731 0.48758 2.64151
30 1W2D 4IP 0.001499 0.40955 2.64151
31 3TM0 ANP 0.0001369 0.43178 2.6616
32 3TM0 B31 0.0001494 0.42587 2.6616
33 1ZP9 ATP 0.0000003735 0.62348 2.71318
34 3RE4 TO1 0.000007073 0.57815 2.71318
35 1ZTH ADP 0.0000002752 0.48085 2.71318
36 2VT3 ATP 0.02154 0.40135 2.7907
37 1TQP ATP 0.000003121 0.53532 2.83688
38 3HQP OXL 0.01213 0.4271 2.85714
39 5K2M ADP 0.000509 0.43084 2.9304
40 5TH5 MET 0.03601 0.40213 3.04183
41 2Y5S 78H 0.02193 0.40097 3.06122
42 2AQX ATP 0.0003252 0.46065 3.11419
43 5MW8 ATP 0.00000007973 0.56836 3.14286
44 3TII ANP 0.001655 0.46058 3.14286
45 1PK8 ATP 0.0005936 0.43831 3.14286
46 4XFR CIT 0.02706 0.40171 3.14286
47 1GT4 UNA 0.008808 0.41266 3.14465
48 4D4U FUC NDG GAL FUC 0.02818 0.40519 3.1746
49 3BRN SRO 0.02903 0.40704 3.18471
50 1IA9 ANP 0.000002511 0.56313 3.21429
51 4RDL FUC GAL NDG FUC 0.01158 0.43015 3.24675
52 5FS0 5JC 0.0123 0.42149 3.31754
53 2GQR ADP 0.000312 0.41032 3.37553
54 4ZGP ADP 0.005392 0.42256 3.41297
55 4XYM A12 0.000798 0.45212 3.47826
56 3WVR AMP 0.0002206 0.49227 3.71429
57 1YFS ALA 0.003761 0.46663 3.71429
58 2Z48 A2G 0.02048 0.41011 3.71429
59 2Z49 AMG 0.03103 0.40406 3.71429
60 4LH7 1X8 0.002901 0.45372 3.71517
61 4OUJ LBT 0.001641 0.47898 3.90879
62 3TDV GDP 0.00000003683 0.6529 3.92157
63 3JUC PCA 0.01952 0.41386 3.92157
64 1QY1 PRZ 0.004904 0.41041 4.02299
65 1MJT ITU 0.01648 0.41288 4.03458
66 1Y7P RIP 0.007041 0.43429 4.03587
67 2Q7D ANP 0.000893 0.42785 4.04624
68 4LO2 GAL BGC 0.009336 0.41717 4.08163
69 3WUR O4B 0.008094 0.4315 4.09357
70 3ZJX BOG 0.001688 0.4749 4.15225
71 4R78 AMP 0.000002064 0.61366 4.20712
72 3VY6 BGC BGC 0.02681 0.40391 4.25532
73 4OUC 5ID 0.000000005339 0.71081 4.28571
74 4OCJ NDG 0.000005671 0.53289 4.28571
75 3DNT ATP 0.0002006 0.46121 4.28571
76 4WOE 3S5 0.02131 0.41826 4.28571
77 4WOE ADP 0.02547 0.41212 4.28571
78 4DS0 A2G GAL NAG FUC 0.03109 0.40005 4.29448
79 1DZK PRZ 0.007397 0.41619 4.4586
80 1M0S CIT 0.02345 0.40711 4.56621
81 1P0Z FLC 0.02595 0.41059 4.58015
82 4DFU QUE 0.01037 0.42993 4.65839
83 5C4L 4XR 0.00001179 0.50983 4.6729
84 5C4L SIS 0.00006891 0.47894 4.6729
85 2BOY BHO 0.01859 0.40448 4.72441
86 5I35 ANP 0.000005087 0.56268 4.85714
87 2PYW ADP 0.000003361 0.55124 4.85714
88 3E7S AT2 0.01891 0.41803 4.85714
89 1F52 ADP 0.01021 0.41717 4.85714
90 5KBE IPH 0.01081 0.42898 5.24017
91 2IO8 ADP 0.0002635 0.45635 5.42857
92 4UWH JXM 0.001395 0.45434 5.42857
93 2YW2 ATP 0.00349 0.42011 5.42857
94 3AKK ADP 0.00008408 0.49549 5.53846
95 3ORQ ADP 0.00325 0.42146 5.57029
96 1SU2 ATP 0.007426 0.41251 5.66038
97 5TT6 ATP 0.001419 0.43338 5.71429
98 1EJB INJ 0.01306 0.40134 5.95238
99 4O1P ANP 0.00000008216 0.53614 6.28571
100 2PUL ACP 0.0000288 0.52782 6.28571
101 2YRX AMP 0.002574 0.46309 6.28571
102 5MRH Q9Z 0.0008001 0.48198 6.57143
103 3TPV ADE 0.006194 0.41259 6.57143
104 3BEO UDP 0.01236 0.40581 6.57143
105 2X3J ATP 0.008664 0.4029 6.57143
106 3LQV ADE 0.004391 0.42699 6.95652
107 1FHX 4IP 0.02907 0.40634 6.97674
108 3E3U NVC 0.01166 0.41057 7.1066
109 4IX4 ADP 0.000003692 0.49299 7.42857
110 3ZVS MLI 0.03966 0.4046 8.125
111 4OCV ANP 0.00001507 0.52861 8.17942
112 1XVB BHL BHL 0.01323 0.41548 8.23529
113 2VOH CIT 0.01637 0.40362 8.28025
114 4XMF HSM 0.00008129 0.5755 8.69565
115 4ZS4 ATP 0.0000005994 0.59073 8.79479
116 2QX0 PH2 0.005837 0.44279 8.80503
117 1OBD ATP 0.0001823 0.40253 8.82353
118 5W2I ADP 0.00007815 0.47799 8.94942
119 5W2I I3P 0.00007815 0.47799 8.94942
120 5U98 1KX 0.007178 0.42124 9.09091
121 5L2J 6UL 0.006561 0.4264 9.18367
122 5L2J 70E 0.007017 0.4264 9.18367
123 3VPB ADP 0.00004024 0.48533 9.57447
124 3VPC ADP 0.0001968 0.46994 9.57447
125 3PDT ADP 0.00000533 0.56882 9.81818
126 1RL4 BRR 0.02047 0.41015 10
127 5KDX GAL TNR 0.03586 0.40285 10
128 4FE2 ADP 0.002058 0.45097 10.1961
129 5DZT AMP 0.0009021 0.48867 10.2857
130 3LJU IP9 0.006897 0.44805 10.2857
131 4LRJ ANP 0.000000005648 0.69946 10.6509
132 2GQS ADP 0.0002448 0.48479 10.9705
133 3CT5 NAG NAG NAG 0.03027 0.40541 11.3208
134 3Q60 ATP 0.0000002631 0.62223 11.4286
135 3H0L ADP 0.00589 0.43783 11.7021
136 3HAV ATP 0.001295 0.47789 11.7057
137 2BKK ADP 0.000134 0.50846 11.8343
138 4O4F ATP 0.001413 0.42315 12.5
139 4O4F IHP 0.001719 0.4166 12.5
140 5CKW ANP 0.000001232 0.61582 12.5714
141 4OH4 ANP 0.00000001804 0.66694 14.1141
142 5DMZ ADP 0.000000000003389 0.83576 14.2857
143 5LPZ ADP 0.000000016 0.6693 14.4578
144 4B1L FRU 0.02517 0.40473 14.5455
145 3VOT ADP 0.0005492 0.48436 14.5714
146 5LXT ACP 0.0006804 0.44315 14.6853
147 2QLU ADE 0.0000005384 0.67184 14.9682
148 2VPQ ANP 0.0003771 0.43087 15
149 3R4S SLB 0.03045 0.40015 15
150 4RT1 C2E 0.009259 0.41165 15.1786
151 4IJP 1EH 0.0000000833 0.55305 15.7143
152 5LPB ADP 0.00000009787 0.6704 15.8784
153 2RIO ADP 0.0000000000493 0.79479 16.2857
154 4GYI ADP 0.000004296 0.58085 17.1429
155 4CYI ATP 0.00000595 0.48334 18
156 5BVE 4VG 0.00000008477 0.4244 18.5714
157 1O8B ABF 0.02353 0.40703 18.7215
158 2CSN CKI 0.0009584 0.45788 18.8552
159 4WW7 AMP 0.0000215 0.47235 19.1571
160 3VHE 42Q 0.000005591 0.49122 19.4286
161 4Y8D 49J 0.0000007898 0.59259 19.7059
162 4YZC STU 0.00000002112 0.63127 20.2857
163 4I94 ANP 0.0000000201 0.54486 21
164 5C03 AGS 0.000009474 0.5437 21.0526
165 3V4S ATP 0.007467 0.4026 21.9638
166 4WOV 3SM 0.0001383 0.5078 22.7129
167 1CBK ROI 0.01859 0.41802 23.125
168 4Y0X ADP 0.0000005888 0.61412 23.1429
169 2PZI AXX 0.00001041 0.56223 23.1429
170 4Q5H ANP 0.0000001835 0.62131 23.6842
171 1Q1Y BB2 0.009762 0.41425 24.6073
172 2VQD AP2 0.0004318 0.45958 25
173 3VSV XYS 0.02036 0.41801 25
174 1LOB MMA 0.03827 0.40097 25
175 3HMO STU 0.000001278 0.59045 25.1462
176 4JR7 GNP 0.000000000006998 0.82149 26.2857
177 3VRY B43 0.00004133 0.48487 26.2857
178 1Q8Y ADP 0.0000000001346 0.65057 26.5714
179 1Q8Y ADE 0.00000003131 0.4973 26.5714
180 4IDT T28 0.0000000006256 0.74371 26.8571
181 5N87 N66 0.000001964 0.47677 27.1565
182 5KO1 6UY 0.000003454 0.57046 27.2085
183 3UIM ANP 0.0000000167 0.66846 27.3006
184 3C1X CKK 0.0001737 0.47225 27.4286
185 4E93 GUI 0.0000001875 0.52977 27.7143
186 5UIU 8CG 0.00000001944 0.6196 27.8638
187 5MY8 RXZ 0.0000009337 0.55109 28
188 5T8O 76Z 0.00000009248 0.61906 28.0802
189 1U5R ATP 0.000000008344 0.68211 28.1609
190 4BTK DTQ 0.000001093 0.50197 28.1899
191 4H3Q ANP 0.0000000007332 0.6445 28.5714
192 4H3P ANP 0.00000006108 0.64295 28.5714
193 3PP0 03Q 0.0000002813 0.56617 28.6982
194 5GZ9 ANP 0.00000000271 0.62206 28.8525
195 4XH0 ADP 0.000002407 0.62549 28.8571
196 1VJY 460 0.000000007094 0.57886 29.0429
197 3GNI ATP 0.00000007589 0.62279 29.1429
198 3KMW ATP 0.0003644 0.47679 29.1513
199 3H9R TAK 0.000005935 0.59033 29.3939
200 2H8H H8H 0.0000001759 0.62213 29.4286
201 1Y57 MPZ 0.0000009626 0.56219 29.4286
202 4QTB 38Z 0.0000005094 0.56055 29.4286
203 4BKJ STI 0.003351 0.40804 29.5238
204 2PVN P63 0.0000000002484 0.66077 29.5455
205 3TTI KBI 0.00000002069 0.6005 29.7143
206 5HCY 60D 0.000001889 0.44708 29.9094
207 3E8N VRA 0.00000001103 0.5021 29.912
208 3E8N ATP 0.00000001103 0.5021 29.912
209 5IQD GNP 0.0001918 0.46836 30
210 5IQD RIO 0.0002068 0.46836 30
211 4AZT LY2 0.001341 0.46512 30
212 4AZW ATP 0.00002555 0.46446 30
213 4CJN QNZ 0.02353 0.40924 30
214 5EOB 5QQ 0.000001534 0.57598 30.094
215 4D2S DYK 0.000001738 0.59989 30.2817
216 4UX9 ANP 0.00000000001854 0.77977 30.2857
217 4P5Z Q7M 0.0000751 0.41922 30.5714
218 3ALN ANP 0.000000004771 0.67501 30.581
219 4CLI 5P8 0.00000933 0.53114 30.581
220 4YMJ 4EJ 0.0000004071 0.66644 30.5921
221 4NFN 2KC 0.00003059 0.52661 30.7443
222 2B9J ADP 0.00000000121 0.73044 30.8571
223 2B9I ADP 0.000000002011 0.71011 30.8571
224 2WU6 DKI 0.00000006776 0.61034 30.8571
225 5LXC 7AA 0.0000000001044 0.60498 30.8571
226 2B9H ADP 0.000000003325 0.59193 30.8571
227 5DBX ANP 0.000000001928 0.55224 31.0976
228 4KBA 1QM 0.00004896 0.47066 31.1178
229 5W4W 9WG 0.00003876 0.45611 31.1178
230 2B9F ADP 0.000000002279 0.58872 31.1429
231 3NW7 LGV 0.00001008 0.53235 31.2704
232 1OPK P16 0.0000517 0.45099 31.4286
233 3LXN MI1 0.0000000001164 0.7451 31.4465
234 5X8I SQZ 0.000000000497 0.73762 31.5029
235 4CRL C1I 0.00002097 0.45625 31.7143
236 5HVJ ANP 0.0000002583 0.6792 31.746
237 5JGA 6KC 0.0000005534 0.51246 31.746
238 3LXK MI1 0.000000002311 0.63637 31.8043
239 3KRL KRL 0.00001162 0.5223 31.9403
240 4NST AF3 0.00000004124 0.76629 32
241 1CM8 ANP 0.000000009658 0.68868 32
242 4NST ADP 0.00000006466 0.64183 32
243 4Y93 746 0.000004641 0.52307 32
244 3ORK AGS 0.000000003529 0.64854 32.1543
245 4IZY 1J2 0.00000007294 0.62354 32.2857
246 3OFM 4B0 0.0000001849 0.49794 32.2857
247 1K3A ACP 0.000001409 0.60431 32.4415
248 5BYZ 4WE 0.000004801 0.48908 32.4713
249 4Y85 499 0.0000006731 0.60334 32.5301
250 3KRR DQX 0.00000001662 0.67136 32.5424
251 4F9C 0SX 0.0000000001939 0.60916 32.5714
252 1OUK 084 0.00008816 0.52903 32.5714
253 4E1Z 0MX 0.000000005885 0.65467 32.646
254 4AT3 LTI 0.00006764 0.4541 32.7759
255 4LOO SB4 0.00004996 0.44187 32.8571
256 3PE2 E1B 0.0000001471 0.61003 32.9377
257 5TO8 7FM 0.00002386 0.42875 32.9787
258 2OO8 RAJ 0.003729 0.41548 33.123
259 4FL3 ANP 0.000000004194 0.66895 33.1429
260 4NM5 ADP 0.0000002728 0.58507 33.1429
261 2JLD AG1 0.000000006671 0.57366 33.4286
262 3F7Z 34O 0.00000006233 0.53914 33.4286
263 3ZRM ZRM 0.00000034 0.51194 33.7143
264 3PTG 932 0.000004272 0.44824 33.7143
265 4WHZ 3NL 0.000003021 0.42365 33.7143
266 5EFQ ADP 0.0000000647 0.64182 33.7176
267 3PLS ANP 0.00000001532 0.6794 33.8926
268 4U44 3D9 0.00000001923 0.55411 34.0361
269 4GJ3 0XP 0.00000005217 0.55629 34.106
270 4QMN DB8 0.000001641 0.47894 34.1936
271 5AWM ANP 0.00000002865 0.69687 34.2857
272 5AX9 4KT 0.00000001783 0.66718 34.4156
273 2HK5 1BM 0.00001714 0.47064 34.4444
274 4CQE CQE 0.00001307 0.52012 34.5324
275 3DAK ANP 0.00000009717 0.65116 34.8276
276 4AUA 4AU 0.0000004221 0.61273 34.8534
277 3E7O 35F 0.00009674 0.43494 34.8571
278 3SLS ANP 0.000000001281 0.6909 34.8684
279 3SLS 77D 0.01251 0.40219 34.8684
280 4XV1 904 0.0000048 0.52921 34.9315
281 4OAV ACP 0.00000007579 0.64726 35
282 1I7L ATP 0.0003841 0.44964 35
283 3W0O HY0 0.0002513 0.43321 35
284 3W0O ADP 0.0002513 0.43321 35
285 5TDF ADP 0.0004705 0.42074 35
286 5JFS 6K0 0.00001915 0.51394 35.0649
287 4M69 ANP 0.000000006813 0.66829 35.1438
288 5HES 032 0.000002457 0.50269 35.1792
289 4AU8 Z3R 0.0000001007 0.66978 35.473
290 5H2U 1N1 0.0001224 0.49336 35.5805
291 5NKB 8ZT 0.00006841 0.40693 35.6209
292 4ASE AV9 0.00005111 0.46962 35.694
293 5DA3 58V 0.000001762 0.60811 35.8491
294 3GGF GVD 0.000000007747 0.70316 35.8804
295 2XVD AS6 0.00002275 0.47754 36.0927
296 4YZN 4K5 0.0000000005606 0.69733 36.2369
297 2BPM 529 0.0000002465 0.45257 36.246
298 2A19 ANP 0.0000003942 0.64037 36.2676
299 1UNH IXM 0.00000004045 0.67901 36.3014
300 3O0G 3O0 0.00000001637 0.54657 36.3014
301 4EWH T77 0.0000002082 0.56156 36.3636
302 4G31 0WH 0.00005953 0.43489 36.4548
303 3TKI S25 0.00000006639 0.63347 36.5325
304 5M06 ADP 0.0000005024 0.61738 36.5942
305 2HY0 306 0.0000001339 0.65382 36.646
306 1JPA ANP 0.000003267 0.62276 36.859
307 4EUU BX7 0.00000005597 0.59387 36.9906
308 5HX8 66P 0.00000006948 0.59016 37.0861
309 5U6C 7YS 0.000001591 0.55908 37.1429
310 4JDI ANP 0.0000000001266 0.74351 37.2832
311 4CFU 2WC 0.00000003076 0.67481 37.2937
312 2PVF ACP 0.000000001395 0.72758 37.4251
313 3IGO ANP 0.00000001292 0.64813 37.4286
314 4K33 ACP 0.0000000004583 0.62116 37.5385
315 4BCQ TJF 0.0000002564 0.64964 37.5415
316 4BCM T7Z 0.000002301 0.62079 37.5415
317 2XMY CDK 0.00000003513 0.65824 37.5839
318 4BCN T9N 0.00000001974 0.6941 37.6667
319 2F57 23D 0.000001033 0.60256 37.7143
320 4BHN BH9 0.0000000006851 0.71164 37.7246
321 3G5D 1N1 0.000004748 0.55593 37.7622
322 3EKK GS2 0.000002603 0.46834 37.785
323 4X7Q 3YR 0.000000001627 0.71428 37.8205
324 5JKG 6LF 0.00003706 0.49921 37.9421
325 4AG8 AXI 0.000007952 0.45492 37.9747
326 5CEO 50D 0.000002439 0.48584 38
327 5LMK 6ZK 0.000001811 0.47688 38.0471
328 2Y6O 1N1 0.00005578 0.49327 38.1443
329 3BU5 ATP 0.00000005481 0.5428 38.2353
330 2OFV 242 0.00007752 0.42692 38.6282
331 3GQI ACP 0.000000001998 0.71024 38.6503
332 4N70 2HX 0.00000001076 0.48077 38.7195
333 5HQ0 LZ9 0.000000002099 0.6905 38.7417
334 5VC5 96M 0.000009805 0.4981 38.7543
335 3DLS ADP 0.000000002028 0.5634 38.806
336 5TA6 79D 0.00001912 0.48648 38.8268
337 2YAB AMP 0.00000000005817 0.76875 38.8571
338 5MJA 7O3 0.000007414 0.45298 39.0164
339 2WQN ADP 0.00000001255 0.70363 39.3548
340 1U59 STU 0.000000006037 0.68848 39.3728
341 1V0O INR 0.000000002747 0.69448 39.5833
342 3RI1 3RH 0.0000003613 0.56188 39.6166
343 5USZ SKE 0.0000003853 0.55204 39.7924
344 4YLL 4E3 0.00000007661 0.56918 40
345 5VZ0 ADP 0.00006207 0.43359 40
346 1SN0 T44 0.01079 0.41602 40
347 2E4U GLU 0.02182 0.40478 40
348 3SXS PP2 0.000000714 0.58048 40.2985
349 4XLI 1N1 0.00001415 0.5421 40.2985
350 4G17 0VN 0.000008092 0.44937 40.303
351 4U0I 0LI 0.0002388 0.4263 40.3175
352 4CSV STI 0.0004489 0.45069 40.3636
353 4BFM ANP 0.00000000003011 0.77062 40.4192
354 5UR1 YY9 0.0000352 0.50561 40.5145
355 3SXF BK5 0.0000006998 0.49656 40.5714
356 5EKO N17 0.0001409 0.44353 40.5714
357 5FBN 5WF 0.000007215 0.52372 40.5904
358 3KN5 ANP 0.00000007478 0.51346 40.6154
359 3CY2 MB9 0.000000003044 0.66663 40.7643
360 2X2M X2M 0.00000006693 0.56091 40.7643
361 5VCV 1N1 0.0000003916 0.57226 40.836
362 3C0G 3AM 0.00000007161 0.66699 40.8571
363 4TWP AXI 0.000006629 0.42228 40.9594
364 3FHR P4O 0.00000004132 0.64226 41.0714
365 3HZT J60 0.000000082 0.67421 41.1429
366 3GC0 AMP 0.000008958 0.56538 41.3374
367 4I6H 1C8 0.00001716 0.53201 41.5584
368 3SRV S19 0.000000001072 0.58927 41.8773
369 3GC8 B45 0.000009831 0.52539 42.2857
370 4F4P 0SB 0.000002905 0.5685 42.4908
371 2V7O DRN 0.000000006225 0.51719 42.5595
372 3BZ3 YAM 0.000002289 0.40605 42.7536
373 1BYG STU 0.000000003914 0.7172 43.1655
374 5DH3 5BS 0.0000001253 0.61332 43.1746
375 2WEL K88 0.0000005414 0.43395 43.4251
376 2X4Z X4Z 0.000008246 0.46435 43.5811
377 5IH9 6BF 0.0000008326 0.56383 43.8806
378 3M2W L8I 0.0000000002168 0.58493 44.1472
379 1ZY5 ANP 0.000001576 0.48617 44.5545
380 5DEY 59T 0.0001291 0.41133 44.7811
381 2VZ6 FEF 0.000000002186 0.74041 45.0479
382 4A4X JUP 0.00001771 0.49511 45.1613
383 4L9I 8PR 0.000000006354 0.69709 45.4286
384 4KS7 X4Z 0.000001142 0.55909 45.5479
385 5A6N U7E 0.000000006169 0.57987 45.583
386 4WNP 3RJ 0.000000005014 0.72294 45.6446
387 2WEI VGG 0.000004588 0.5719 45.6446
388 4USF 6UI 0.00007725 0.46097 46.0526
389 5UOX 8GY 0.000000003552 0.67203 46.4945
390 2YAK OSV 0.00000002726 0.57638 46.6667
391 2ZV2 609 0.000000001594 0.75912 46.9799
392 2VN9 GVD 0.000000002611 0.5203 47.1761
393 4FG8 ATP 0.00000000006404 0.75638 47.3016
394 4WNK 453 0.000000000306 0.64678 48.2857
395 2XK9 XK9 0.001897 0.45623 48.4472
396 5DRB 5FJ 0.000002987 0.435 48.7973
397 1PHK ATP 0.00000000002769 0.66349 48.9933
398 4C2V YJA 0.0000003562 0.53542 49.8246
399 5UKL SIX 0.00000001799 0.61597 50
400 3PVW QRX 0.00000007555 0.58872 50
Pocket No.: 2; Query (leader) PDB : 4WB6; Ligand: ATP; Similar sites found: 17
This union binding pocket(no: 2) in the query (biounit: 4wb6.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TMX BEZ 0.02871 0.40258 1.70648
2 5M12 7D0 0.01607 0.40758 2.57143
3 4FFG LBS 0.02117 0.40421 2.57143
4 2QJN KDG 0.01938 0.40005 2.57143
5 1XDN ATP 0.008469 0.41719 2.88809
6 2YIP YIO 0.049 0.40049 2.89855
7 3KYG 5GP 5GP 0.01578 0.40086 3.0837
8 2Z48 NGA 0.02188 0.40639 3.71429
9 2G50 PYR 0.02343 0.41012 4.57143
10 2AUY NAG MAN MMA 0.02242 0.4005 4.7619
11 2NGR AF3 0.01461 0.4221 5.12821
12 2W5P CL8 0.02194 0.41885 6.04027
13 1SR9 KIV 0.03708 0.40153 7.14286
14 1VPD TLA 0.02401 0.40789 7.35786
15 2J0B UDP 0.01893 0.41253 8.21429
16 4OFG PCG 0.01975 0.40319 9.72222
17 1CT9 GLN 0.02863 0.40264 25
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