Receptor
PDB id Resolution Class Description Source Keywords
5MW8 2.4 Å EC: 2.7.1.158 INOSITOL 1,3,4,5,6-PENTAKISPHOSPHATE 2-KINASE FROM M. MUSCUL COMPLEX WITH ATP AND IP5 MUS MUSCULUS PROTEIN STRUCTURE MAMMAL IPK INOSITOL KINASE TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF MAMMALIAN INOSITOL 1,3,4,5,6-PENTAKISPHOSPHATE 2-KINASE REVEALS A NEW ZINC-BINDING SITE AND KEY FEATURES FOR PROTEIN FUNC J. BIOL. CHEM. V. 292 10534 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:505;
A:504;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
ACT A:506;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ZN A:503;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
ATP A:501;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
5MY A:502;
Valid;
none;
submit data
580.055 C6 H17 O21 P5 C1([C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MW8 2.4 Å EC: 2.7.1.158 INOSITOL 1,3,4,5,6-PENTAKISPHOSPHATE 2-KINASE FROM M. MUSCUL COMPLEX WITH ATP AND IP5 MUS MUSCULUS PROTEIN STRUCTURE MAMMAL IPK INOSITOL KINASE TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF MAMMALIAN INOSITOL 1,3,4,5,6-PENTAKISPHOSPHATE 2-KINASE REVEALS A NEW ZINC-BINDING SITE AND KEY FEATURES FOR PROTEIN FUNC J. BIOL. CHEM. V. 292 10534 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5MW8 - 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 3 families.
1 5MW8 - 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 3 families.
1 5MW8 - 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
Ligand no: 2; Ligand: 5MY; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 I5P 1 1
2 5IP 1 1
3 IP5 1 1
4 5MY 1 1
5 I4P 0.782609 1
6 I0P 0.730769 0.965517
7 4IP 0.714286 0.965517
8 IHP 0.652174 1
9 I6P 0.652174 1
10 I3P 0.6 0.933333
11 I3S 0.6 0.933333
12 IP2 0.571429 0.933333
13 ITP 0.533333 0.933333
14 2IP 0.5 0.933333
15 I7P 0.454545 0.965517
16 I8P 0.454545 0.965517
17 2YN 0.454545 0.965517
18 I4D 0.451613 0.9
19 5A3 0.428571 0.8
20 5A2 0.428571 0.8
21 4WZ 0.428571 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MW8; Ligand: ATP; Similar sites found: 391
This union binding pocket(no: 1) in the query (biounit: 5mw8.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL 0.004512 0.4133 None
2 2BOS GLA GAL GLC 0.004631 0.41318 None
3 1DCP HBI 0.02676 0.40708 None
4 4OCJ NDG 0.00000737 0.43996 1.05541
5 4WOE ADP 0.02783 0.40564 1.06157
6 4BTK DTQ 0.00003013 0.47184 1.18694
7 3K5I ADP 0.0003132 0.46001 1.24069
8 4NFN 2KC 0.0002227 0.48095 1.2945
9 4PU5 ANP 0.002908 0.41179 1.3245
10 2R5T ANP 0.000001652 0.5512 1.34048
11 1ZNY GDP 0.02285 0.4075 1.44928
12 5T96 79J 0.01369 0.42028 1.46199
13 4O1P ANP 0.0000363 0.46907 1.4862
14 4N9Z V3L 0.008557 0.44585 1.4862
15 4FE2 ADP 0.00009894 0.50887 1.56863
16 4FE2 AIR 0.002082 0.45054 1.56863
17 2WU6 DKI 0.000008879 0.51519 1.5748
18 2QLU ADE 0.001102 0.4774 1.59236
19 5VCV 1N1 0.00005104 0.47687 1.60772
20 1I7L ATP 0.0008185 0.42906 1.61812
21 3GGF GVD 0.00001651 0.53908 1.66113
22 1ZX5 LFR 0.0146 0.42234 1.66667
23 5JZJ AN2 0.0000001138 0.63111 1.6835
24 2GQR ADP 0.00001908 0.46985 1.68776
25 4L9I 8PR 0.000039 0.51547 1.69851
26 5MRH Q9Z 0.0009076 0.47388 1.69851
27 4KBA 1QM 0.0000205 0.47092 1.69851
28 5W4W 9WG 0.00000756 0.46835 1.69851
29 2VQD AP2 0.0002317 0.46561 1.72414
30 3MVH WFE 0.00003458 0.45091 1.75439
31 2PVF ACP 0.00001376 0.53612 1.79641
32 5LPZ ADP 0.00005076 0.5045 1.80723
33 3ALN ANP 0.000003631 0.54283 1.83486
34 4K33 ACP 0.000003641 0.54902 1.84615
35 3VSV XYS 0.001526 0.46977 1.91083
36 5DXT 5H5 0.004574 0.4136 1.91083
37 4X7Q 3YR 0.00001944 0.52311 1.92308
38 3CMJ SRT 0.02045 0.40965 1.93548
39 5LXC 7AA 0.0000005894 0.51936 1.96078
40 4XH0 ADP 0.0000003652 0.66072 1.98511
41 4GYI ADP 0.00001063 0.55515 2.01511
42 5LPB ADP 0.00006696 0.52362 2.02703
43 5AWM ANP 0.0003303 0.4897 2.03046
44 1RJW ETF 0.01047 0.41015 2.0649
45 4WNP 3RJ 0.00005453 0.52123 2.09059
46 3VOT ADP 0.00004672 0.53127 2.11765
47 4D1J DGJ 0.004283 0.44381 2.12314
48 4OYA 1VE 0.02609 0.40612 2.12766
49 4A4X JUP 0.00003953 0.46787 2.15054
50 3ZGJ RMN 0.01884 0.41186 2.15633
51 4DFU QUE 0.002049 0.4617 2.17391
52 5DMZ ADP 0.00000002576 0.65153 2.19178
53 2IF8 ADP 0.000004274 0.59985 2.20386
54 5UOX 8GY 0.00001839 0.50733 2.21402
55 2HK5 1BM 0.002189 0.42386 2.22222
56 4IJP 1EH 0.00001868 0.49166 2.23464
57 3WVR AMP 0.00005628 0.51422 2.23714
58 4XLI 1N1 0.0003855 0.47008 2.23881
59 1JPA ANP 0.003452 0.41688 2.24359
60 3ORK AGS 0.0000006441 0.54182 2.2508
61 3ETH ATP 0.0003196 0.45534 2.25352
62 1W2D ADP 0.000003584 0.58585 2.26415
63 1W2D 4IP 0.00007324 0.44379 2.26415
64 3DNT ATP 0.0009024 0.42788 2.27273
65 1OKE BOG 0.007143 0.42429 2.28426
66 5C1P ADP 0.0003412 0.48318 2.28758
67 5C1P DAL DAL 0.002008 0.40819 2.28758
68 5GZ9 ANP 0.0000007001 0.56053 2.29508
69 5MJA 7O3 0.0007904 0.46066 2.29508
70 3SLS ANP 0.000006443 0.52642 2.30263
71 4USF 6UI 0.003861 0.43281 2.30263
72 1MJT ITU 0.003707 0.44592 2.30548
73 2XVD AS6 0.001046 0.40433 2.31788
74 1M0W ANP 0.00008499 0.44179 2.33546
75 3M2W L8I 0.000001841 0.59153 2.34114
76 4ZGP ADP 0.002404 0.4338 2.38908
77 2Y6O 1N1 0.0007606 0.43955 2.4055
78 3C1X CKK 0.001174 0.43163 2.41287
79 3ZJX BOG 0.002468 0.46081 2.42215
80 2VPQ ANP 0.0002192 0.45796 2.43902
81 2YAB AMP 0.000000435 0.58933 2.49307
82 4CYI ATP 0.003486 0.41521 2.51142
83 3LXN MI1 0.000005642 0.53464 2.51572
84 4IDT T28 0.000003177 0.56516 2.52809
85 5LI1 ANP 0.000000061 0.61126 2.54237
86 5UR1 YY9 0.00004938 0.44373 2.57235
87 5T8O 76Z 0.00007598 0.48633 2.5788
88 1U5R ATP 0.000009745 0.53649 2.58621
89 3NW7 LGV 0.00007831 0.50745 2.60586
90 3EKK GS2 0.00003503 0.42571 2.60586
91 3BU5 ATP 0.0000125 0.53167 2.61438
92 4YMJ 4EJ 0.0001413 0.52363 2.63158
93 3VRY B43 0.0002297 0.44459 2.64317
94 1K3A ACP 0.00008646 0.51167 2.67559
95 3HAV ATP 0.0005128 0.49496 2.67559
96 1Y7P RIP 0.01464 0.4149 2.69058
97 4OH4 ANP 0.00006387 0.50005 2.7027
98 4WB7 ATP 0.000007121 0.44734 2.71605
99 1CM8 ANP 0.000000459 0.60348 2.7248
100 4AZT LY2 0.001156 0.46306 2.76008
101 4AZW ATP 0.0006449 0.44659 2.76008
102 3SXF BK5 0.0000163 0.44064 2.76008
103 5UIU 8CG 0.000009107 0.52739 2.78638
104 5KO1 6UY 0.0007038 0.45815 2.82686
105 1DKU AP2 0.01869 0.42161 2.83912
106 5HVJ ANP 0.000009824 0.58657 2.85714
107 3RI1 3RH 0.00006198 0.46118 2.8754
108 5M06 ADP 0.00003012 0.52689 2.89855
109 3ORQ ADP 0.000728 0.44433 2.91777
110 5IQD RIO 0.0000673 0.50142 2.95082
111 5IQD GNP 0.00006243 0.50142 2.95082
112 3DLS ADP 0.000127 0.43898 2.98507
113 1C3X 8IG 0.01873 0.41291 3.00752
114 4L77 CNL 0.009542 0.4225 3.01508
115 4H3Q ANP 0.0000006071 0.56308 3.03867
116 4H3P ANP 0.000005923 0.54614 3.03867
117 5I35 ANP 0.00002009 0.52861 3.05344
118 1NJJ GET 0.007726 0.43652 3.05882
119 4NW6 2NS 0.000001874 0.48255 3.09598
120 3V4S ATP 0.0002161 0.46246 3.10078
121 4YZN 4K5 0.00000218 0.54026 3.13589
122 4Y93 746 0.0001135 0.45699 3.13901
123 4WB6 ATP 0.00000007973 0.56836 3.14286
124 2QCS ANP 0.0000001941 0.55455 3.14286
125 1RE8 BD2 0.00001493 0.53954 3.14286
126 4AZC NGW 0.01832 0.4084 3.16742
127 5A6N U7E 0.0000001812 0.56189 3.18021
128 5UKL SIX 0.00002268 0.50684 3.18471
129 3PVW QRX 0.000005335 0.50127 3.18471
130 4WNK 453 0.000009684 0.47384 3.18471
131 5EKO N17 0.001192 0.42772 3.2345
132 2V7O DRN 0.0000003 0.64858 3.27381
133 3KRL KRL 0.0003308 0.45471 3.28358
134 4BHN BH9 0.00001816 0.51292 3.29341
135 1VJY 460 0.000001741 0.48222 3.30033
136 4GJ3 0XP 0.00000935 0.46498 3.31126
137 4U44 3D9 0.00001764 0.48101 3.31325
138 2JLD AG1 0.000003737 0.46926 3.33333
139 4I94 ANP 0.0008134 0.45528 3.33333
140 5TV6 PML 0.003694 0.44325 3.33333
141 5EFQ ADP 0.00004378 0.50737 3.35821
142 4OUC 5ID 0.000004395 0.56589 3.36134
143 5H2U 1N1 0.0007155 0.45322 3.37079
144 3AKK ADP 0.0001764 0.4754 3.38462
145 5LDQ NAP 0.02429 0.40454 3.38983
146 5TDF ADP 0.001469 0.43129 3.39506
147 5DA3 58V 0.0002408 0.49642 3.39623
148 4ZS4 ATP 0.0000002832 0.59747 3.39703
149 5DZT AMP 0.000507 0.49432 3.39703
150 1T36 ADP 0.001965 0.40016 3.39703
151 1QVJ RP5 0.03258 0.40043 3.42466
152 4E1Z 0MX 0.00005634 0.48221 3.43643
153 5BYZ 4WE 0.0002609 0.41615 3.44828
154 2AQX ATP 0.0001214 0.47296 3.46021
155 5USZ SKE 0.0001228 0.44666 3.46021
156 3K4Z CBI 0.01963 0.40239 3.46021
157 4JDI ANP 0.000001264 0.56244 3.46821
158 1ZTH ADP 0.000004426 0.58136 3.48837
159 3RE4 TO1 0.000004438 0.5813 3.48837
160 1ZP9 ATP 0.000008282 0.55305 3.48837
161 5JGA 6KC 0.00000905 0.45594 3.49206
162 4K37 SAM 0.01109 0.40343 3.51351
163 4BFM ANP 0.00000006255 0.61829 3.59281
164 3W9K MYR 0.009348 0.41051 3.59712
165 3IGO ANP 0.0000001295 0.59756 3.60934
166 5TA6 79D 0.0002229 0.43302 3.60934
167 1VMK GUN 0.03643 0.40013 3.61011
168 5DBX ANP 0.000002346 0.5865 3.65854
169 4CLI 5P8 0.0002665 0.48149 3.66972
170 2B9J ADP 0.000003951 0.56083 3.68272
171 2B9F ADP 0.00000313 0.5585 3.68272
172 2B9H ADP 0.000003327 0.51287 3.68272
173 4YZC STU 0.00001516 0.52812 3.7037
174 4NM5 ADP 0.0001138 0.46966 3.71353
175 2Z7R STU 0.000001638 0.55136 3.73832
176 2YRX AMP 0.0002839 0.5091 3.7694
177 3ZRM ZRM 0.00001675 0.52599 3.77358
178 4CC6 L5Y 0.003897 0.44208 3.77358
179 3HMO STU 0.00007432 0.5027 3.80117
180 5T48 MGP 0.02386 0.40361 3.80435
181 2PYW ADP 0.000001378 0.56084 3.80952
182 4OCV ANP 0.000001823 0.56214 3.82166
183 4LOO SB4 0.0004133 0.46386 3.87812
184 5JDA AMP 0.003166 0.45318 3.89972
185 5MY8 RXZ 0.000005966 0.50659 3.91645
186 3UIM ANP 0.0000456 0.50658 3.98773
187 1TZD ADP 0.000007976 0.59482 4
188 3F7Z 34O 0.00002244 0.52032 4
189 3PLS ANP 0.000001741 0.57707 4.02685
190 4QM9 CYS 0.0319 0.40123 4.04624
191 2X4Z X4Z 0.000006082 0.45677 4.05405
192 3SXS PP2 0.00007058 0.4877 4.10448
193 3DAK ANP 0.00001635 0.53927 4.13793
194 3PP0 03Q 0.0009029 0.41606 4.14201
195 5N87 N66 0.0000544 0.4207 4.15335
196 1NBU PH2 0.007239 0.41974 4.20168
197 2YAK OSV 0.0000006649 0.51109 4.21053
198 4Y85 499 0.001262 0.44658 4.21687
199 4AUA 4AU 0.000607 0.46108 4.23453
200 5LXM ADP 0.00003884 0.51555 4.24028
201 4FL3 ANP 0.000003543 0.53731 4.24628
202 2H8H H8H 0.0007944 0.45119 4.24628
203 2RIF AMP 0.01209 0.40526 4.25532
204 5AVF TAU 0.006164 0.43206 4.28016
205 1IA9 ANP 0.0000227 0.5143 4.28571
206 1ZY5 ANP 0.0001856 0.48456 4.29043
207 3BF8 MLA 0.01586 0.41467 4.31373
208 3GC8 B45 0.0008184 0.43821 4.32432
209 4XYM A12 0.0004937 0.45587 4.34783
210 4EWH T77 0.00009894 0.44713 4.36364
211 1Y57 MPZ 0.0004533 0.44499 4.42478
212 3VHE 42Q 0.0002151 0.42114 4.45682
213 2PZI AXX 0.00002758 0.53537 4.4586
214 5CDH TLA 0.005735 0.43251 4.46429
215 3E5A VX6 0.0004007 0.43569 4.47761
216 2YW2 ATP 0.0002742 0.46248 4.48113
217 5F90 LMR 0.01046 0.43311 4.48718
218 5F90 GLA GAL BGC 5VQ 0.02147 0.41424 4.48718
219 5F90 GLA GAL 0.03576 0.40184 4.48718
220 3AB4 THR 0.01026 0.41657 4.49438
221 2DTJ THR 0.01094 0.41519 4.49438
222 4QMN DB8 0.00002036 0.4319 4.51613
223 4ASE AV9 0.0004011 0.42194 4.53258
224 3FHI ANP 0.000000267 0.5497 4.54545
225 4NST ADP 0.00004574 0.50652 4.5584
226 2A19 ANP 0.000003401 0.58696 4.57143
227 4IX4 ADP 0.00003924 0.47806 4.57143
228 4D2S DYK 0.00003822 0.5286 4.57746
229 4LH7 1X8 0.00189 0.45947 4.64396
230 1OIJ AKG 0.01148 0.43437 4.65116
231 4JGT PYR 0.02515 0.40207 4.68227
232 3GNI ATP 0.000003058 0.54602 4.69208
233 3E8N ATP 0.000004179 0.42166 4.69208
234 3E8N VRA 0.000004179 0.42166 4.69208
235 1YQC GLV 0.008287 0.40255 4.70588
236 4LRJ ANP 0.000000007177 0.68586 4.73373
237 3TII ANP 0.0002492 0.49569 4.73684
238 3FHR P4O 0.00003011 0.50894 4.7619
239 4M69 ANP 0.00000155 0.55864 4.79233
240 4KS7 X4Z 0.000003911 0.52982 4.79452
241 1V0O INR 0.00000544 0.5414 4.86111
242 3TTI KBI 0.00002777 0.468 4.9569
243 3VPC ADP 0.0001 0.47649 4.96454
244 2HY0 306 0.0002174 0.49254 4.96894
245 5BWD FUM 0.03139 0.40115 5
246 2F57 23D 0.000002927 0.57413 5.04732
247 2GQS ADP 0.00002739 0.52248 5.06329
248 4AU8 Z3R 0.001067 0.46476 5.06757
249 4FG8 ATP 0.000002007 0.55384 5.07937
250 2QK4 ATP 0.0001576 0.41086 5.0885
251 4IZY 1J2 0.00000289 0.54707 5.14905
252 3DGY 2GP 0.02739 0.40474 5.15464
253 5FBN 5WF 0.0003474 0.40645 5.16605
254 3BP1 GUN 0.01686 0.4043 5.17241
255 4OTH DRN 0.00001525 0.51073 5.27859
256 5C4L 4XR 0.00005058 0.49755 5.29595
257 5C4L SIS 0.0001086 0.48342 5.29595
258 5CEO 50D 0.00008187 0.45481 5.33333
259 4CFU 2WC 0.00005767 0.51372 5.34351
260 4BCM T7Z 0.0009764 0.4783 5.34351
261 4BCN T9N 0.0004396 0.47792 5.34351
262 4BCQ TJF 0.0008338 0.47001 5.34351
263 3HZT J60 0.000004956 0.57896 5.35332
264 3CY2 MB9 0.00002857 0.49433 5.41401
265 4CRL C1I 0.00007751 0.42128 5.41872
266 5LMK 6ZK 0.0001111 0.50043 5.42636
267 2VZ6 FEF 0.0001408 0.50154 5.43131
268 5W2I ADP 0.000009964 0.50441 5.44747
269 5W2I I3P 0.000009964 0.50441 5.44747
270 2WQN ADP 0.0000002831 0.63037 5.48387
271 5SWI BMA 0.02806 0.42494 5.52017
272 5HES 032 0.0002681 0.44933 5.53746
273 4DC2 ADE 0.00001847 0.41145 5.55556
274 1YXM ADE 0.02539 0.40947 5.61056
275 4JR7 GNP 0.000000577 0.59127 5.61497
276 4EUU BX7 0.0001581 0.44651 5.64263
277 3C0G 3AM 0.00004254 0.52638 5.69801
278 5DH3 5BS 0.00002789 0.50495 5.71429
279 2WEL K88 0.00006548 0.54299 5.8104
280 3E7O 35F 0.0003595 0.4093 5.83333
281 3X01 AMP 0.000002763 0.6152 5.85242
282 4OX5 DAL 0.01285 0.41454 5.88235
283 3KMW ATP 0.00109 0.44949 5.90406
284 2WEI VGG 0.0001465 0.49483 5.92335
285 3OYW TDG 0.01972 0.41083 5.97015
286 5CKW ANP 0.00003884 0.5352 5.9867
287 4UX9 ANP 0.0000004499 0.58163 6.04396
288 1EPB REA 0.009116 0.40732 6.09756
289 5KBE IPH 0.03056 0.40091 6.11354
290 2IO8 ADP 0.001611 0.41738 6.15711
291 2CFM AMP 0.01698 0.40577 6.15711
292 4XV1 904 0.00007357 0.42643 6.16438
293 5AX9 4KT 0.00008184 0.49524 6.16883
294 4I6H 1C8 0.0006037 0.45651 6.16883
295 3PDT ADP 0.000003417 0.57099 6.18182
296 5LI9 ACP 0.00000003381 0.63779 6.28571
297 3OFM 4B0 0.00001761 0.54468 6.28571
298 2VN9 GVD 0.0000001891 0.65864 6.31229
299 3PTG 932 0.0002811 0.41056 6.33609
300 5VZ0 ADP 0.0001399 0.49016 6.36943
301 2ZV2 609 0.00000617 0.5743 6.37584
302 1PHK ATP 0.000001981 0.5246 6.37584
303 4WW7 AMP 0.00002338 0.50296 6.41711
304 3KN5 ANP 0.00002962 0.4538 6.46154
305 4CQE CQE 0.001002 0.43452 6.47482
306 1OBD ATP 0.0001244 0.50412 6.53595
307 5EOB 5QQ 0.0000166 0.54564 6.58307
308 3V8S 0HD 0.000006066 0.55234 6.58537
309 4Y0X ADP 0.000001135 0.59334 6.66667
310 1Q8Y ADE 0.000001001 0.62233 6.70241
311 1Q8Y ADP 0.0000002417 0.59317 6.70241
312 5CPR 539 0.02155 0.40461 6.71642
313 1UNH IXM 0.00004502 0.5252 6.73077
314 5LVP ATP 0.0000001023 0.6515 6.75241
315 3IDB ANP 0.00001113 0.51115 6.8323
316 4O4F ATP 0.0003191 0.43896 6.85484
317 4O4F IHP 0.0003525 0.43166 6.85484
318 5JBX COA 0.008093 0.40274 6.89655
319 3N7S 3N7 0.03141 0.40325 6.95652
320 3LXK MI1 0.00003402 0.46225 7.03364
321 4U98 ACP 0.00009592 0.49764 7.04846
322 4XMF HSM 0.00007951 0.55292 7.06522
323 5EVY SAL 0.01923 0.4142 7.07763
324 2RIO ADP 0.00002241 0.52645 7.14286
325 4Y8D 49J 0.00005084 0.50447 7.14286
326 1BYG STU 0.00002512 0.53057 7.19424
327 4YLL 4E3 0.000001876 0.54294 7.20222
328 2X2M X2M 0.00001867 0.50705 7.32484
329 2PVN P63 0.000001084 0.513 7.38636
330 2Q7D ANP 0.0003258 0.43343 7.51445
331 2QX0 PH2 0.0003438 0.50918 7.54717
332 4L3L 5FI 0.00002634 0.50784 7.56579
333 4QTB 38Z 0.000003319 0.49599 7.63158
334 3TXO 07U 0.000001982 0.58203 7.64873
335 3I0O ADP 0.00003574 0.53697 7.66962
336 1EHI ADP 0.005382 0.41051 7.69231
337 4G17 0VN 0.00001652 0.46835 7.87879
338 2ZL7 FUC GAL NGA 0.02137 0.41034 8.13559
339 3PE2 E1B 0.000005443 0.55908 8.30861
340 3W0O ADP 0.000302 0.42073 8.30946
341 3W0O HY0 0.000302 0.42073 8.30946
342 1U59 STU 0.00003492 0.51175 8.36237
343 5X8I SQZ 0.0000007164 0.58708 8.3815
344 3N1S 5GP 0.01775 0.40102 8.40336
345 3GQI ACP 0.000008291 0.53962 8.40708
346 4CS9 AMP 0.0009311 0.47122 8.46561
347 3TDV GDP 0.00000003376 0.64629 8.49673
348 1TQP ATP 0.000001446 0.53865 8.51064
349 3KAL ADP 0.000268 0.40633 8.70488
350 5C03 AGS 0.00007514 0.4969 8.77193
351 3GC0 AMP 0.001321 0.45508 8.81459
352 5OO5 UUA 0.006352 0.41451 8.87097
353 3Q60 ATP 0.00000531 0.55498 8.89488
354 3VPB ADP 0.00001342 0.49283 8.92857
355 4F9C 0SX 0.0000002276 0.61738 9.02778
356 5LN8 GAL 0.002418 0.4457 9.16031
357 4JGP PYR 0.001972 0.46459 9.21659
358 3O0G 3O0 0.0004338 0.42516 9.39597
359 4WOV 3SM 0.0001849 0.4959 9.46372
360 4GLW 0XT 0.005854 0.43319 9.5082
361 2RC8 DSN 0.0259 0.404 9.52381
362 5IH9 6BF 0.0002068 0.40552 9.55224
363 5LXT ACP 0.0001956 0.46 9.79021
364 2XSB GDL 0.01825 0.40827 10.0671
365 4E93 GUI 0.00003922 0.44107 10.0796
366 5VC5 96M 0.0003327 0.42865 10.7266
367 2W5P CL8 0.01302 0.42792 10.7383
368 4OAV ACP 0.0001212 0.493 10.828
369 4Z4P SAH 0.008308 0.40917 10.8434
370 1XJD STU 0.000004437 0.54527 11.3043
371 5HX8 66P 0.00007324 0.45905 11.5894
372 2PUL ACP 0.0000001192 0.63019 11.8388
373 1PK8 ATP 0.0004805 0.43333 11.8483
374 4UWH JXM 0.0008874 0.45832 11.8896
375 2DT9 THR 0.02587 0.40058 11.976
376 2BKK ADP 0.001345 0.45472 12.426
377 3SRV S19 0.000007044 0.54938 12.6354
378 3LQV ADE 0.01276 0.42401 12.8205
379 3BXO UPP 0.009363 0.40679 12.9707
380 5U6C 7YS 0.0002771 0.45794 13.0159
381 5L8L ADP 0.000005033 0.57863 13.6752
382 5HQ0 LZ9 0.00001305 0.51906 14.2857
383 3KIV ACA 0.008935 0.40957 15.1899
384 3H9R TAK 0.001326 0.46561 20.1835
385 5EYK 5U5 0.00002294 0.46998 20.339
386 4Q5H ANP 0.000000332 0.60198 20.5128
387 5K2M ADP 0.00005958 0.48334 22.6415
388 4C2W ANP 0.000005086 0.57841 23.0769
389 5G1X ADP 0.00001216 0.53857 25.3968
390 4C2V YJA 0.00002146 0.45916 27.2727
391 2B9I ADP 0.000002867 0.5602 28.5714
Pocket No.: 2; Query (leader) PDB : 5MW8; Ligand: 5MY; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5mw8.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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