Receptor
PDB id Resolution Class Description Source Keywords
4O4F 1.7 Å EC: 2.7.4.21 CRYSTAL STRUCTURE OF AN INOSITOL HEXAKISPHOSPHATE KINASE EHI COMPLEXED WITH ATP AND INSP6 ENTAMOEBA HISTOLYTICA PDGK KINASE INOSITOL PHOSPHATE TRANSFERASE
Ref.: IP6K STRUCTURE AND THE MOLECULAR DETERMINANTS OF CA SPECIFICITY IN AN INOSITOL PHOSPHATE KINASE FAMILY. NAT COMMUN V. 5 4178 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IHP A:403;
Valid;
none;
submit data
660.035 C6 H18 O24 P6 C1(C(...
PO4 A:405;
A:406;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
MG A:402;
A:401;
Part of Protein;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
ATP A:404;
Valid;
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
4O4F 1.7 Å EC: 2.7.4.21 CRYSTAL STRUCTURE OF AN INOSITOL HEXAKISPHOSPHATE KINASE EHI COMPLEXED WITH ATP AND INSP6 ENTAMOEBA HISTOLYTICA PDGK KINASE INOSITOL PHOSPHATE TRANSFERASE
Ref.: IP6K STRUCTURE AND THE MOLECULAR DETERMINANTS OF CA SPECIFICITY IN AN INOSITOL PHOSPHATE KINASE FAMILY. NAT COMMUN V. 5 4178 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4O4F - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 4O4E - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 4O4D - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4O4F - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 4O4E - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 4O4D - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5W2H - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 5W2I - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4O4F - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 4O4E - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4O4D - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IHP; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 I6P 1 1
2 IHP 1 1
3 IP5 0.652174 1
4 5MY 0.652174 1
5 I5P 0.652174 1
6 5IP 0.652174 1
7 I0P 0.608696 0.965517
8 I7P 0.6 0.965517
9 I8P 0.6 0.965517
10 2YN 0.6 0.965517
11 I4P 0.571429 1
12 5A2 0.555556 0.8
13 5A3 0.555556 0.8
14 4WZ 0.555556 0.8
15 2IP 0.545455 0.933333
16 4IP 0.538462 0.965517
17 ITP 0.52 0.933333
18 IP2 0.5 0.933333
19 I3S 0.481481 0.933333
20 I3P 0.481481 0.933333
21 I4D 0.48 0.9
22 0EJ 0.46875 0.823529
23 4WY 0.454545 0.8
Ligand no: 2; 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 : 4O4F; Ligand: IHP; Similar sites found: 212
This union binding pocket(no: 1) in the query (biounit: 4o4f.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1WS5 MMA 0.01674 0.44023 None
2 4AKB GAL 0.04116 0.41115 None
3 1SQL GUN 0.03039 0.40604 None
4 2HY0 306 0.004518 0.4344 1.20968
5 3TKI S25 0.003996 0.42769 1.20968
6 5W4W 9WG 0.002294 0.41758 1.6129
7 4KBA 1QM 0.001386 0.41529 1.6129
8 3UIM ANP 0.008748 0.40927 1.6129
9 1K3A ACP 0.006269 0.42749 2.01613
10 1YXM ADE 0.0202 0.42533 2.01613
11 4YZC STU 0.002496 0.42248 2.01613
12 3ORQ ADP 0.0009575 0.40905 2.01613
13 5VZ0 ADP 0.0004269 0.40569 2.01613
14 3BU5 ATP 0.0009692 0.40217 2.01613
15 4GYI ADP 0.00002929 0.54046 2.41935
16 4OAV ACP 0.0007201 0.46309 2.41935
17 4YLL 4E3 0.0001517 0.4467 2.41935
18 5HCY 60D 0.001644 0.43669 2.41935
19 3ETH ATP 0.0001911 0.43649 2.41935
20 2F57 23D 0.004801 0.42889 2.41935
21 4OTH DRN 0.003874 0.41478 2.41935
22 2WEI VGG 0.01253 0.40909 2.41935
23 4E1Z 0MX 0.005165 0.40633 2.41935
24 5EW9 5VC 0.0395 0.40552 2.41935
25 4NST ADP 0.01215 0.40278 2.41935
26 2GQS ADP 0.01059 0.40893 2.53165
27 5T8O 76Z 0.000651 0.45183 2.82258
28 3KRR DQX 0.002259 0.44547 2.82258
29 4OCJ NDG 0.0009536 0.44093 2.82258
30 1OUK 084 0.008825 0.43606 2.82258
31 4R78 AMP 0.007437 0.43266 2.82258
32 1VJY 460 0.001705 0.42416 2.82258
33 1T36 ADP 0.001402 0.42171 2.82258
34 4KS7 X4Z 0.00224 0.42151 2.82258
35 2Z7R STU 0.000552 0.42124 2.82258
36 5DMZ ADP 0.006917 0.41391 2.82258
37 4WOV 3SM 0.01608 0.40756 2.82258
38 4U44 3D9 0.0008439 0.40512 2.82258
39 3KN5 ANP 0.000659 0.40414 2.82258
40 5TO8 7FM 0.007974 0.40382 2.82258
41 4E93 GUI 0.0009803 0.4035 2.82258
42 5LVP ATP 0.0005667 0.40273 2.89389
43 4U98 ACP 0.00014 0.49602 3.22581
44 2PYW ADP 0.000008122 0.48039 3.22581
45 4JGP PYR 0.001676 0.47301 3.22581
46 2YW2 ATP 0.0005667 0.45445 3.22581
47 4WNP 3RJ 0.002296 0.44866 3.22581
48 1V0O INR 0.003419 0.42407 3.22581
49 3FHR P4O 0.004642 0.41817 3.22581
50 4YZN 4K5 0.0008985 0.41691 3.22581
51 1CM8 ANP 0.0002136 0.41369 3.22581
52 3K5I ADP 0.001267 0.40382 3.22581
53 2A19 ANP 0.003094 0.44708 3.42857
54 3X01 AMP 0.00003171 0.56588 3.62903
55 2YRX AMP 0.000886 0.48727 3.62903
56 5AWM ANP 0.001572 0.46169 3.62903
57 4AZT LY2 0.001649 0.46065 3.62903
58 1U59 STU 0.001094 0.45026 3.62903
59 2B9I ADP 0.001308 0.44674 3.62903
60 3GC0 AMP 0.004436 0.43478 3.62903
61 3UDZ ADP 0.0001595 0.42839 3.62903
62 4CC6 L5Y 0.009951 0.4262 3.62903
63 2WQN ADP 0.007633 0.42333 3.62903
64 1JPA ANP 0.02312 0.40685 3.62903
65 5JKG 6LF 0.0072 0.4046 3.62903
66 2B9H ADP 0.001147 0.40343 3.62903
67 4RDL FUC GAL NDG FUC 0.03791 0.40252 3.62903
68 4O1P ANP 0.0009173 0.40225 3.62903
69 3VOT ADP 0.0004568 0.48833 4.03226
70 5LI9 ACP 0.0002076 0.47807 4.03226
71 3VPC ADP 0.0002095 0.46879 4.03226
72 4OCV ANP 0.0003704 0.46692 4.03226
73 3VPB ADP 0.0003263 0.44126 4.03226
74 3DNT ATP 0.0007552 0.4376 4.03226
75 2JLD AG1 0.0009538 0.43577 4.03226
76 3PE2 E1B 0.002632 0.43007 4.03226
77 4CFU 2WC 0.006837 0.42161 4.03226
78 4BCN T9N 0.009519 0.41866 4.03226
79 1Q8Y ADP 0.0008487 0.40829 4.03226
80 3ZRM ZRM 0.0005687 0.40799 4.03226
81 1PHK ATP 0.0008408 0.40796 4.03226
82 4ZS4 ATP 0.009012 0.40534 4.03226
83 3TPV ADE 0.009766 0.40379 4.03226
84 1M0W ANP 0.0005712 0.40275 4.03226
85 4Y8D 49J 0.0004115 0.4695 4.28571
86 1TQP ATP 0.0000257 0.49779 4.43548
87 5I35 ANP 0.000253 0.48412 4.43548
88 4BTK DTQ 0.00004893 0.44478 4.43548
89 3GC8 B45 0.00314 0.41867 4.43548
90 3LXN MI1 0.003776 0.41862 4.43548
91 4F4P 0SB 0.008706 0.41686 4.43548
92 1U5R ATP 0.009856 0.40692 4.43548
93 3H9R TAK 0.01825 0.41271 4.58716
94 5X8I SQZ 0.0001147 0.49464 4.83871
95 3PLS ANP 0.006667 0.41828 4.83871
96 2X2M X2M 0.0009899 0.41139 4.83871
97 2WU6 DKI 0.001324 0.40675 4.83871
98 2NUO BGC 0.004959 0.48184 4.91803
99 2NU5 NAG 0.01466 0.44825 4.91803
100 2GUC MAN 0.01647 0.44241 4.91803
101 2GUE NAG 0.01217 0.43163 4.91803
102 2ZV2 609 0.0009487 0.47258 5.24194
103 3G5D 1N1 0.001454 0.44833 5.24194
104 1BYG STU 0.003411 0.43594 5.24194
105 5LPZ ADP 0.002672 0.43267 5.24194
106 4L3L 5FI 0.001037 0.43001 5.24194
107 2Q7D ANP 0.0009031 0.42766 5.24194
108 5DA3 58V 0.009917 0.4219 5.24194
109 5H2U 1N1 0.007563 0.41574 5.24194
110 3HZT J60 0.002329 0.4532 5.64516
111 3KAL ADP 0.002208 0.42093 5.64516
112 3PVW QRX 0.002009 0.41393 5.64516
113 5N87 N66 0.004953 0.40905 5.64516
114 3DLS ADP 0.0001896 0.40901 5.64516
115 1Z2P ACP 0.0001926 0.40728 5.64516
116 1Z2P I3S 0.0001926 0.40728 5.64516
117 4IX4 ADP 0.001283 0.40503 5.64516
118 5KOH HCA 0.02711 0.4048 5.64516
119 5AVF TAU 0.02811 0.40305 5.64516
120 4XYM A12 0.0004315 0.41562 5.65217
121 3W0O HY0 0.0003922 0.4266 5.73066
122 3W0O ADP 0.0003922 0.4266 5.73066
123 5L8L ADP 0.009272 0.42336 5.98291
124 3HAV ATP 0.0001194 0.53507 6.04839
125 2PZI AXX 0.0003546 0.48798 6.04839
126 3V8S 0HD 0.0007254 0.46294 6.04839
127 1XJD STU 0.0007188 0.45414 6.04839
128 4N70 2HX 0.001113 0.44788 6.04839
129 3CY2 MB9 0.000808 0.44003 6.04839
130 4Y0X ADP 0.0003964 0.40971 6.04839
131 4D3S BOG 0.02031 0.41032 6.14334
132 3DGY 2GP 0.02938 0.40753 6.18557
133 5LXT ACP 0.00004986 0.49057 6.29371
134 3TII ANP 0.00003013 0.54692 6.45161
135 4XH0 ADP 0.001369 0.4783 6.45161
136 3MVH WFE 0.001251 0.42674 6.45161
137 5LXC 7AA 0.0001979 0.41943 6.45161
138 5C1P DAL DAL 0.001957 0.41079 6.45161
139 2IO8 ADP 0.003449 0.41054 6.45161
140 4XLI 1N1 0.0005305 0.46924 6.85484
141 5MW8 ATP 0.0003525 0.43166 6.85484
142 2VQD AP2 0.002582 0.42581 6.85484
143 3ORK AGS 0.003606 0.40676 6.85484
144 3PP0 03Q 0.006923 0.401 6.85484
145 4WW7 AMP 0.0001244 0.44365 7.25806
146 4X7Q 3YR 0.001733 0.4412 7.25806
147 1IA9 ANP 0.001736 0.43714 7.25806
148 1EHI ADP 0.003776 0.42215 7.25806
149 4JR7 GNP 0.0004178 0.41388 7.25806
150 4CS9 AMP 0.0004138 0.50857 7.40741
151 4YMJ 4EJ 0.0005198 0.50073 7.66129
152 2BKK ADP 0.0006434 0.47545 7.66129
153 4BHN BH9 0.001454 0.43665 7.66129
154 5UOX 8GY 0.001306 0.43492 7.66129
155 5IQD RIO 0.0001773 0.47112 8.06452
156 5IQD GNP 0.0001817 0.46934 8.06452
157 1ZP9 ATP 0.0006942 0.4687 8.06452
158 5BVE 4VG 0.001751 0.44884 8.06452
159 4H3P ANP 0.001524 0.44373 8.06452
160 4QTB 38Z 0.001403 0.42325 8.06452
161 4H3Q ANP 0.002272 0.40165 8.06452
162 1UNH IXM 0.002565 0.44632 8.17308
163 2R5T ANP 0.00186 0.42837 8.46774
164 2VPQ ANP 0.0005657 0.42479 8.46774
165 3Q60 ATP 0.006982 0.41735 8.46774
166 3RE4 TO1 0.000196 0.40012 8.46774
167 3WVR AMP 0.0001686 0.4978 8.87097
168 2YAK OSV 0.0001173 0.44655 8.87097
169 4PU5 ANP 0.001331 0.43096 8.87097
170 3V4S ADP 0.002205 0.42349 8.87097
171 3V4S ATP 0.0005146 0.42131 8.87097
172 2YAB AMP 0.003758 0.42224 9.27419
173 4MV1 ADP 0.002335 0.41863 9.27419
174 2PUL ACP 0.00001254 0.45816 9.67742
175 4WNK 453 0.0005863 0.43995 9.67742
176 5A6N U7E 0.0007951 0.41215 9.67742
177 5KO1 6UY 0.0009504 0.45751 10.0806
178 5HVJ ANP 0.006752 0.44384 10.0806
179 4FG8 ATP 0.001233 0.40777 10.0806
180 3TXO 07U 0.0007127 0.40065 10.4839
181 4DFU QUE 0.0004626 0.50054 10.8871
182 5IH9 6BF 0.00171 0.42801 10.8871
183 4LH7 1X8 0.003803 0.45434 11.2903
184 4BFM ANP 0.001213 0.44007 11.2903
185 3I0O ADP 0.00005076 0.53568 12.0968
186 5C4L 4XR 0.001088 0.43064 12.0968
187 2V58 LZJ 0.003939 0.42169 12.0968
188 1RE8 BD2 0.0001011 0.48998 12.5
189 2GU8 796 0.0002612 0.48062 12.5
190 3IDB ANP 0.000978 0.43656 12.5
191 2QCS ANP 0.001576 0.4181 12.5
192 4WB6 ATP 0.001719 0.4166 12.5
193 4UX9 ANP 0.0009008 0.4457 12.9032
194 4IZY 1J2 0.008054 0.40428 12.9032
195 3GQI ACP 0.008385 0.41011 13.3065
196 3FHI ANP 0.001566 0.41821 13.6364
197 5UIU 8CG 0.006593 0.40034 13.7097
198 2PVF ACP 0.002129 0.44128 14.1129
199 3RI1 3RH 0.002633 0.40929 15.3226
200 3IGO ANP 0.002004 0.42699 15.7258
201 2PVN P63 0.001189 0.42612 15.7258
202 3AKK ADP 0.0005833 0.45817 16.5323
203 3C0G 3AM 0.002993 0.44308 17.7419
204 2VZ6 FEF 0.01216 0.41348 17.7419
205 5G1X ADP 0.01638 0.40011 20.6349
206 5K2M ADP 0.001566 0.41174 26.4151
207 2IF8 ADP 0.0000000000582 0.55461 33.0645
208 4NM5 ADP 0.001861 0.42488 33.3333
209 2AQX ATP 0.00000003786 0.62824 41.129
210 1TZD ADP 0.0000000005104 0.83674 43.9516
211 1W2D ADP 0.000000005881 0.73099 45.5645
212 1W2D 4IP 0.000000007148 0.60678 45.5645
Pocket No.: 2; Query (leader) PDB : 4O4F; Ligand: ATP; Similar sites found: 227
This union binding pocket(no: 2) in the query (biounit: 4o4f.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4AKB GAL 0.03915 0.41115 None
2 1SQL GUN 0.03243 0.40565 None
3 2HY0 306 0.004195 0.4344 1.20968
4 3TKI S25 0.003508 0.43302 1.20968
5 5W4W 9WG 0.00185 0.42443 1.6129
6 4KBA 1QM 0.001114 0.41529 1.6129
7 3UIM ANP 0.008109 0.40927 1.6129
8 4YZC STU 0.002181 0.42793 2.01613
9 1K3A ACP 0.005831 0.42749 2.01613
10 1YXM ADE 0.01912 0.42533 2.01613
11 3ORQ ADP 0.0008746 0.41532 2.01613
12 5VZ0 ADP 0.0003906 0.41227 2.01613
13 3BU5 ATP 0.0009295 0.40735 2.01613
14 4GYI ADP 0.00002743 0.5398 2.41935
15 4OAV ACP 0.0006605 0.46309 2.41935
16 4YLL 4E3 0.0001367 0.45412 2.41935
17 5HCY 60D 0.001078 0.44767 2.41935
18 3ETH ATP 0.0001728 0.44417 2.41935
19 2F57 23D 0.004452 0.42889 2.41935
20 4OTH DRN 0.003848 0.41333 2.41935
21 5EW9 5VC 0.03248 0.41172 2.41935
22 2WEI VGG 0.01168 0.40909 2.41935
23 4E1Z 0MX 0.004824 0.40602 2.41935
24 4UWH JXM 0.0006406 0.40317 2.41935
25 4NST ADP 0.01128 0.40278 2.41935
26 2GQS ADP 0.01187 0.40516 2.53165
27 3KRR DQX 0.001769 0.45325 2.82258
28 5T8O 76Z 0.0005935 0.45183 2.82258
29 4OCJ NDG 0.0008096 0.44722 2.82258
30 1OUK 084 0.007241 0.44272 2.82258
31 4R78 AMP 0.006946 0.43266 2.82258
32 1VJY 460 0.001372 0.43117 2.82258
33 2Z7R STU 0.0005019 0.42798 2.82258
34 1T36 ADP 0.001199 0.42763 2.82258
35 4KS7 X4Z 0.002048 0.42151 2.82258
36 5DMZ ADP 0.006404 0.41391 2.82258
37 4U44 3D9 0.0007732 0.41111 2.82258
38 3KN5 ANP 0.0006184 0.41045 2.82258
39 5TO8 7FM 0.006659 0.40976 2.82258
40 4WOV 3SM 0.01502 0.40756 2.82258
41 4E93 GUI 0.0008208 0.40261 2.82258
42 5LVP ATP 0.0005202 0.40877 2.89389
43 4U98 ACP 0.0001274 0.49602 3.22581
44 2PYW ADP 0.000007243 0.48978 3.22581
45 4JGP PYR 0.001561 0.47301 3.22581
46 2YW2 ATP 0.0005163 0.45445 3.22581
47 4WNP 3RJ 0.002126 0.44866 3.22581
48 1V0O INR 0.003 0.425 3.22581
49 4YZN 4K5 0.0008174 0.42355 3.22581
50 1CM8 ANP 0.0001948 0.42069 3.22581
51 3FHR P4O 0.004282 0.41817 3.22581
52 3K5I ADP 0.001159 0.41006 3.22581
53 3K5I AIR 0.006325 0.40377 3.22581
54 3OFM 4B0 0.0005951 0.40081 3.22581
55 2A19 ANP 0.002873 0.44708 3.42857
56 3X01 AMP 0.00002756 0.56705 3.62903
57 2YRX AMP 0.0008232 0.48727 3.62903
58 5AWM ANP 0.001455 0.46169 3.62903
59 4AZT LY2 0.001527 0.46065 3.62903
60 1U59 STU 0.001003 0.45026 3.62903
61 2B9I ADP 0.001201 0.44674 3.62903
62 3UDZ ADP 0.0001447 0.436 3.62903
63 3GC0 AMP 0.004119 0.43478 3.62903
64 4JOB TLA 0.009016 0.43177 3.62903
65 4CC6 L5Y 0.009307 0.4262 3.62903
66 2WQN ADP 0.007106 0.42333 3.62903
67 5JKG 6LF 0.005811 0.41118 3.62903
68 2B9H ADP 0.001051 0.40938 3.62903
69 4O1P ANP 0.0008408 0.40834 3.62903
70 5HES 032 0.002058 0.40762 3.62903
71 1JPA ANP 0.02198 0.40685 3.62903
72 4AZW ATP 0.001488 0.40574 3.62903
73 4RDL FUC GAL NDG FUC 0.0358 0.40252 3.62903
74 3VOT ADP 0.0004206 0.48833 4.03226
75 5LI9 ACP 0.0001885 0.47807 4.03226
76 3VPC ADP 0.000198 0.46798 4.03226
77 4OCV ANP 0.0003374 0.46692 4.03226
78 3VPB ADP 0.0003054 0.44811 4.03226
79 2JLD AG1 0.0008551 0.44103 4.03226
80 3PE2 E1B 0.002012 0.43807 4.03226
81 3DNT ATP 0.0007133 0.43689 4.03226
82 4CFU 2WC 0.006351 0.42161 4.03226
83 4BCN T9N 0.008871 0.41866 4.03226
84 1Q8Y ADP 0.0007747 0.41446 4.03226
85 1PHK ATP 0.000769 0.41401 4.03226
86 3ZRM ZRM 0.0005552 0.41362 4.03226
87 3TPV ADE 0.009034 0.40381 4.03226
88 3F7Z 34O 0.00113 0.40265 4.03226
89 2XMY CDK 0.02595 0.40146 4.03226
90 4Y8D 49J 0.0003757 0.4695 4.28571
91 1TQP ATP 0.00002745 0.49458 4.43548
92 5I35 ANP 0.0002309 0.48412 4.43548
93 4BTK DTQ 0.00004196 0.45345 4.43548
94 4F4P 0SB 0.00788 0.42138 4.43548
95 3GC8 B45 0.002881 0.41867 4.43548
96 3LXN MI1 0.003474 0.41862 4.43548
97 1U5R ATP 0.008831 0.40759 4.43548
98 4NFN 2KC 0.0007151 0.40528 4.43548
99 3H9R TAK 0.01712 0.41271 4.58716
100 5X8I SQZ 0.0001041 0.49464 4.83871
101 3PLS ANP 0.005844 0.41941 4.83871
102 2X2M X2M 0.0009027 0.4179 4.83871
103 2WU6 DKI 0.001207 0.41257 4.83871
104 4CQE CQE 0.006718 0.40853 4.83871
105 2NUO BGC 0.004687 0.48184 4.91803
106 2NU5 NAG 0.01391 0.44825 4.91803
107 2GUC MAN 0.01563 0.44241 4.91803
108 2GUE NAG 0.01157 0.43163 4.91803
109 2ZV2 609 0.0008764 0.47258 5.24194
110 3G5D 1N1 0.001354 0.45287 5.24194
111 4L3L 5FI 0.0008604 0.4366 5.24194
112 1BYG STU 0.003158 0.43594 5.24194
113 5LPZ ADP 0.002462 0.43267 5.24194
114 2Q7D ANP 0.0008706 0.43161 5.24194
115 5DA3 58V 0.009259 0.4219 5.24194
116 5H2U 1N1 0.007016 0.41574 5.24194
117 4FFG 0U8 0.04287 0.40288 5.24194
118 3HZT J60 0.002161 0.4532 5.64516
119 3KAL ADP 0.001539 0.43046 5.64516
120 3PVW QRX 0.0009102 0.42447 5.64516
121 3DLS ADP 0.0001732 0.41603 5.64516
122 5N87 N66 0.004219 0.41474 5.64516
123 4IX4 ADP 0.001138 0.41131 5.64516
124 1Z2P ACP 0.0001453 0.4078 5.64516
125 1Z2P I3S 0.0001453 0.4078 5.64516
126 5KOH HCA 0.02565 0.4048 5.64516
127 5AVF TAU 0.02643 0.40305 5.64516
128 4XYM A12 0.0003933 0.42242 5.65217
129 3W0O ADP 0.001095 0.40663 5.73066
130 3W0O HY0 0.001095 0.40663 5.73066
131 5L8L ADP 0.008654 0.42336 5.98291
132 3HAV ATP 0.00011 0.53507 6.04839
133 2PZI AXX 0.0003255 0.48798 6.04839
134 3V8S 0HD 0.0006654 0.46294 6.04839
135 4N70 2HX 0.001004 0.45307 6.04839
136 1XJD STU 0.00118 0.44291 6.04839
137 3CY2 MB9 0.0007347 0.44003 6.04839
138 4Y0X ADP 0.0003633 0.41576 6.04839
139 5HQ0 LZ9 0.001431 0.40584 6.04839
140 4D3S BOG 0.01905 0.41032 6.14334
141 3DGY 2GP 0.02771 0.40753 6.18557
142 5LXT ACP 0.00005585 0.48654 6.29371
143 3TII ANP 0.00002741 0.54692 6.45161
144 4XH0 ADP 0.001275 0.4783 6.45161
145 3MVH WFE 0.001048 0.4331 6.45161
146 5C1P DAL DAL 0.001967 0.41573 6.45161
147 2IO8 ADP 0.003155 0.41054 6.45161
148 5C1P ADP 0.001285 0.40442 6.45161
149 5LXC 7AA 0.0006 0.40422 6.45161
150 4XLI 1N1 0.0004859 0.46924 6.85484
151 5MW8 ATP 0.0003191 0.43896 6.85484
152 2VQD AP2 0.002221 0.42703 6.85484
153 3ORK AGS 0.003639 0.40502 6.85484
154 3PP0 03Q 0.006368 0.401 6.85484
155 4WW7 AMP 0.0001123 0.4515 7.25806
156 4X7Q 3YR 0.001593 0.4412 7.25806
157 1IA9 ANP 0.001593 0.43714 7.25806
158 1EHI ADP 0.003479 0.42215 7.25806
159 4JR7 GNP 0.0003815 0.42034 7.25806
160 5GZ9 ANP 0.002723 0.40323 7.25806
161 4CS9 AMP 0.0003867 0.50857 7.40741
162 4YMJ 4EJ 0.0004819 0.50073 7.66129
163 2BKK ADP 0.0005921 0.47545 7.66129
164 4BHN BH9 0.001331 0.43665 7.66129
165 5UOX 8GY 0.001358 0.43252 7.66129
166 5IQD RIO 0.0001576 0.4771 8.06452
167 5IQD GNP 0.0001616 0.47529 8.06452
168 1ZP9 ATP 0.0006379 0.4687 8.06452
169 5BVE 4VG 0.001435 0.4558 8.06452
170 4H3P ANP 0.001401 0.44373 8.06452
171 4QTB 38Z 0.001142 0.43006 8.06452
172 4H3Q ANP 0.002083 0.40774 8.06452
173 1ZTH ADP 0.0002024 0.40443 8.06452
174 1UNH IXM 0.002376 0.44632 8.17308
175 2R5T ANP 0.001314 0.43314 8.46774
176 2VPQ ANP 0.0005134 0.43159 8.46774
177 3Q60 ATP 0.006475 0.41735 8.46774
178 3RE4 TO1 0.0001779 0.40815 8.46774
179 3WVR AMP 0.000154 0.4978 8.87097
180 2YAK OSV 0.00009352 0.44591 8.87097
181 4PU5 ANP 0.001177 0.43151 8.87097
182 3V4S ADP 0.001829 0.42992 8.87097
183 3V4S ATP 0.0004677 0.42827 8.87097
184 4MV1 ADP 0.001889 0.42544 9.27419
185 2YAB AMP 0.003463 0.42224 9.27419
186 2PUL ACP 0.00001129 0.46637 9.67742
187 4WNK 453 0.000482 0.44687 9.67742
188 5A6N U7E 0.0007269 0.4179 9.67742
189 5KO1 6UY 0.000873 0.45751 10.0806
190 5HVJ ANP 0.006338 0.44384 10.0806
191 4FG8 ATP 0.0009941 0.41569 10.0806
192 5FI4 5XV 0.00342 0.40264 10.0806
193 3TXO 07U 0.000655 0.40662 10.4839
194 4DFU QUE 0.0004277 0.50054 10.8871
195 5IH9 6BF 0.001408 0.43466 10.8871
196 4LH7 1X8 0.003568 0.45434 11.2903
197 4BFM ANP 0.00111 0.44007 11.2903
198 3I0O ADP 0.00005168 0.53332 12.0968
199 5C4L 4XR 0.0009788 0.43579 12.0968
200 2V58 LZJ 0.003288 0.42792 12.0968
201 1RE8 BD2 0.00008085 0.49817 12.5
202 2GU8 796 0.0002026 0.48918 12.5
203 3IDB ANP 0.0008902 0.43656 12.5
204 2QCS ANP 0.001292 0.42472 12.5
205 4WB6 ATP 0.001413 0.42315 12.5
206 4UX9 ANP 0.000662 0.44978 12.9032
207 4IZY 1J2 0.007438 0.40428 12.9032
208 3GQI ACP 0.007771 0.41011 13.3065
209 3FHI ANP 0.001278 0.42491 13.6364
210 5UIU 8CG 0.005627 0.40587 13.7097
211 2PVF ACP 0.001963 0.44128 14.1129
212 4G17 0VN 0.0004406 0.40159 14.1129
213 5UR1 YY9 0.009794 0.40564 14.5161
214 3RI1 3RH 0.002203 0.41538 15.3226
215 2PVN P63 0.001157 0.42983 15.7258
216 3IGO ANP 0.001834 0.42699 15.7258
217 3AKK ADP 0.0005511 0.4575 16.5323
218 4F9C 0SX 0.0006997 0.40408 16.6667
219 3C0G 3AM 0.002686 0.44375 17.7419
220 2VZ6 FEF 0.0112 0.41376 17.7419
221 5K2M ADP 0.001448 0.41758 26.4151
222 2IF8 ADP 0.00000000005036 0.56771 33.0645
223 4NM5 ADP 0.0017 0.42488 33.3333
224 2AQX ATP 0.00000003277 0.62824 41.129
225 1TZD ADP 0.0000000004506 0.83674 43.9516
226 1W2D ADP 0.000000005153 0.73099 45.5645
227 1W2D 4IP 0.000000009204 0.5952 45.5645
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