Receptor
PDB id Resolution Class Description Source Keywords
4CYI 2.42 Å EC: 7.-.-.- CHAETOMIUM THERMOPHILUM PAN3 CHAETOMIUM THERMOPHILUM TRANSFERASE
Ref.: STRUCTURAL BASIS FOR PAN3 BINDING TO PAN2 AND ITS F IN MRNA RECRUITMENT AND DEADENYLATION EMBO J. V. 33 1514 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP E:900;
F:900;
B:900;
A:900;
H:900;
G:900;
D:900;
C:900;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MG B:1000;
D:1000;
F:1000;
H:1000;
E:1000;
C:1000;
G:1000;
A:1000;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CYI 2.42 Å EC: 7.-.-.- CHAETOMIUM THERMOPHILUM PAN3 CHAETOMIUM THERMOPHILUM TRANSFERASE
Ref.: STRUCTURAL BASIS FOR PAN3 BINDING TO PAN2 AND ITS F IN MRNA RECRUITMENT AND DEADENYLATION EMBO J. V. 33 1514 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4CYI - 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 217 families.
1 4CYI - 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 181 families.
1 4CYI - 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 : 4CYI; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4cyi.bio4) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4CYI; Ligand: ATP; Similar sites found: 315
This union binding pocket(no: 2) in the query (biounit: 4cyi.bio4) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4I6H 1C8 0.0002047 0.47321 0.974026
2 2CFM AMP 0.004832 0.42905 1.36986
3 4U98 ACP 0.00523 0.41482 1.36986
4 2X1L MET 0.01642 0.41361 1.36986
5 5FBN 5WF 0.0000199 0.5303 1.47601
6 3ALN ANP 0.00006374 0.48508 1.52905
7 3VRY B43 0.00001832 0.47254 1.59817
8 4Y93 746 0.00004894 0.45602 1.59817
9 3WVR AMP 0.001115 0.44979 1.59817
10 1U59 STU 0.00001192 0.5277 1.74216
11 3VPC ADP 0.001723 0.41814 1.77305
12 3LXK MI1 0.00001147 0.4688 1.83486
13 3VOT ADP 0.0003464 0.48454 1.88235
14 5DH3 5BS 0.0002277 0.4617 1.90476
15 2PYW ADP 0.0002312 0.46142 1.90476
16 3CY2 MB9 0.000009125 0.50428 1.91083
17 4M26 AKG 0.02565 0.40319 1.92308
18 5TA6 79D 0.00005093 0.4441 1.95531
19 4OUC 5ID 0.00004643 0.51353 1.96078
20 5C1P ADP 0.007703 0.41498 1.96078
21 2XVD AS6 0.000105 0.42921 1.98676
22 4AZW ATP 0.001071 0.43327 2.05479
23 4AZT LY2 0.003961 0.43324 2.05479
24 3UDZ ADP 0.0008621 0.4321 2.05479
25 4YZN 4K5 0.00001832 0.48939 2.09059
26 3ORQ ADP 0.002363 0.41872 2.12202
27 2OFV 242 0.00005458 0.40757 2.16606
28 5UIU 8CG 0.00001887 0.52445 2.16718
29 4LH7 1X8 0.003203 0.44719 2.16718
30 5U6C 7YS 0.00004709 0.48167 2.22222
31 2PUL ACP 0.0003622 0.46718 2.267
32 3IGO ANP 0.0001479 0.46167 2.28311
33 3BU5 ATP 0.00001707 0.49537 2.28758
34 4E93 GUI 0.000042 0.42374 2.38727
35 5LPZ ADP 0.000003239 0.55268 2.40964
36 4CLI 5P8 0.00005335 0.52216 2.44648
37 4XH0 ADP 0.00002661 0.55922 2.48139
38 4YLL 4E3 0.00003783 0.49929 2.49307
39 4OH4 ANP 0.000008574 0.53402 2.51142
40 5MW8 ATP 0.003486 0.41521 2.51142
41 4FG8 ATP 0.000005648 0.52958 2.53968
42 3PDT ADP 0.003457 0.42709 2.54545
43 3ORK AGS 0.00000112 0.52147 2.57235
44 2F7A BEZ 0.02872 0.40527 2.58621
45 2HK5 1BM 0.00003016 0.49882 2.59259
46 1K3A ACP 0.00001276 0.5465 2.67559
47 1ZTH ADP 0.00001466 0.55108 2.71318
48 1ZP9 ATP 0.0000236 0.5271 2.71318
49 5CKW ANP 0.00007697 0.51619 2.73973
50 4FXQ G9L 0.03082 0.40034 2.73973
51 4FE2 ADP 0.01257 0.40487 2.7451
52 5USZ SKE 0.000003255 0.48309 2.76817
53 3ZJX BOG 0.01649 0.41293 2.76817
54 4EWH T77 0.00004052 0.44768 2.90909
55 3MVH WFE 0.000007751 0.45779 2.92398
56 5HX8 66P 0.00001765 0.46792 2.98013
57 4U44 3D9 0.00002049 0.49199 3.01205
58 4ZGP ADP 0.006071 0.41189 3.07167
59 2Y6O 1N1 0.00003875 0.48485 3.09278
60 5HCT 61P 0.01249 0.40501 3.10263
61 2H8H H8H 0.00001319 0.52576 3.19635
62 1Y57 MPZ 0.00002308 0.48515 3.19635
63 3X01 AMP 0.008226 0.42919 3.30789
64 4XLI 1N1 0.00001483 0.5298 3.35821
65 3UIM ANP 0.00001149 0.52842 3.37423
66 3TKI S25 0.00004273 0.53581 3.40557
67 2HY0 306 0.000007563 0.55724 3.41615
68 3OFM 4B0 0.000005619 0.49057 3.42857
69 4E1Z 0MX 0.00002187 0.48762 3.43643
70 4OTH DRN 0.000005471 0.5196 3.51906
71 1JPA ANP 0.0000003747 0.67347 3.52564
72 4DC2 ADE 0.00000001395 0.50357 3.53535
73 4RDL FUC GAL NDG FUC 0.01467 0.41704 3.57143
74 4UWH JXM 0.000852 0.45519 3.65297
75 5LPB ADP 0.000001319 0.60174 3.71622
76 3C1X CKK 0.0007626 0.43208 3.75335
77 4U0I 0LI 0.0001055 0.41452 3.80952
78 3LXN MI1 0.000005159 0.53125 3.88128
79 5VZ0 ADP 0.0003247 0.46932 3.88128
80 4GJ3 0XP 0.0000234 0.43878 3.88128
81 3SXF BK5 0.00005063 0.40997 3.88128
82 4M69 ANP 0.0000393 0.49396 3.88693
83 4IDT T28 0.00003145 0.51507 3.93258
84 5LI1 ANP 0.000003737 0.52663 3.9548
85 1VJY 460 0.00001236 0.43984 3.9604
86 5LI9 ACP 0.00002409 0.50845 4
87 5T8O 76Z 0.0001445 0.47005 4.01146
88 1U5R ATP 0.00001461 0.5238 4.02299
89 1PHK ATP 0.000007805 0.51668 4.02685
90 1DRJ RIP 0.004417 0.44098 4.05904
91 2VPQ ANP 0.002536 0.42112 4.10959
92 2X2M X2M 0.0000134 0.50411 4.14013
93 1W2D ADP 0.003689 0.43474 4.15094
94 3TII ANP 0.001337 0.45612 4.21053
95 4OCV ANP 0.001254 0.43432 4.22164
96 5KO1 6UY 0.000005026 0.551 4.24028
97 3AKK ADP 0.002048 0.42511 4.30769
98 5X8I SQZ 0.00001436 0.52414 4.33526
99 4RQL SNE 0.01972 0.4033 4.3379
100 5EOB 5QQ 0.0002824 0.49821 4.38871
101 2OVD DAO 0.02111 0.40926 4.3956
102 4CC6 L5Y 0.008456 0.42169 4.40252
103 5MY8 RXZ 0.000006039 0.49352 4.43864
104 2VZ6 FEF 0.000001271 0.59384 4.47284
105 3SXS PP2 0.00001937 0.50695 4.47761
106 2XBL M7P 0.007828 0.40689 4.54545
107 2RIO ADP 0.000008469 0.54078 4.60829
108 3GGF GVD 0.000005903 0.55489 4.65116
109 4BKJ STI 0.0009067 0.41125 4.7619
110 3HZT J60 0.00004916 0.52562 4.79452
111 3I0O ADP 0.001749 0.45046 4.79452
112 5DXT 5H5 0.005579 0.40629 4.79452
113 3ZGJ RMN 0.01928 0.40807 4.85175
114 5HES 032 0.0000315 0.50041 4.88599
115 4YZC STU 0.00001632 0.53731 4.93827
116 1TQP ATP 0.001169 0.41532 4.96454
117 4DFU QUE 0.01079 0.42103 4.96894
118 5C4L 4XR 0.006059 0.41527 4.98442
119 4I94 ANP 0.000002249 0.56676 5
120 4QTB 38Z 0.00006207 0.43691 5
121 1OPK P16 0.000258 0.40227 5.02283
122 2QX0 PH2 0.006161 0.43732 5.03145
123 4GYI ADP 0.00006452 0.51323 5.03778
124 5HVJ ANP 0.00002091 0.56503 5.07937
125 5JGA 6KC 0.00004538 0.42313 5.07937
126 4R78 AMP 0.0000262 0.54645 5.17799
127 5DBX ANP 0.00001289 0.54629 5.18293
128 5DMZ ADP 0.0001449 0.47984 5.20548
129 2WEI VGG 0.00003758 0.51778 5.22648
130 3KN5 ANP 0.0001367 0.44319 5.23077
131 3TTI KBI 0.0001474 0.42926 5.25114
132 5FI4 5XV 0.0005132 0.45273 5.26316
133 2BKK ADP 0.007375 0.41587 5.30303
134 3V8S 0HD 0.000002712 0.56309 5.36585
135 2VFK AMP 0.02691 0.40011 5.36585
136 3BU1 HSM 0.004617 0.43429 5.40541
137 2QLU ADE 0.000001977 0.62558 5.47945
138 2IF8 ADP 0.00107 0.47236 5.50964
139 4ZS4 ATP 0.002649 0.42028 5.53746
140 4P5Z Q7M 0.00004146 0.40001 5.54017
141 5AWM ANP 0.00001102 0.55707 5.58376
142 4BTK DTQ 0.00004457 0.47918 5.63798
143 4EUU BX7 0.000005863 0.48252 5.64263
144 3GC8 B45 0.0001202 0.46525 5.67568
145 1BYG STU 0.0000009499 0.59151 5.7554
146 2VQD AP2 0.002983 0.41443 5.81897
147 4K33 ACP 0.00001542 0.51682 5.84615
148 3HMO STU 0.00001032 0.5369 5.84795
149 5I35 ANP 0.001911 0.43458 5.85242
150 1Q8Y ADE 0.000003288 0.59124 5.89812
151 1Q8Y ADP 0.000064 0.485 5.89812
152 1RPJ ALL 0.01597 0.41229 5.90278
153 2GQS ADP 0.006178 0.41154 5.90717
154 2PZI AXX 0.0000919 0.50597 5.93607
155 3DLS ADP 0.0000307 0.47192 5.97015
156 4JDI ANP 0.00001742 0.5089 6.06936
157 1IA9 ANP 0.002315 0.42281 6.07143
158 5C03 AGS 0.0000164 0.5216 6.14035
159 4NFN 2KC 0.00009078 0.4943 6.14887
160 5DZT AMP 0.003893 0.44542 6.16438
161 3TXO 07U 0.00001129 0.48739 6.23229
162 4IZY 1J2 0.00005584 0.48751 6.23306
163 5IH9 6BF 0.00006589 0.40694 6.26866
164 2FN8 RIP 0.01135 0.42045 6.27063
165 4BFM ANP 0.00001627 0.51016 6.28743
166 1OIJ AKG 0.01968 0.40143 6.31229
167 4UX9 ANP 0.000005044 0.53166 6.31868
168 3PTG 932 0.00000808 0.46833 6.33609
169 4H3Q ANP 0.00002796 0.48298 6.35359
170 4F9C 0SX 0.000003278 0.55938 6.37119
171 5N87 N66 0.00002235 0.41609 6.38978
172 5JZJ AN2 0.000004055 0.55521 6.39731
173 3EKK GS2 0.00001281 0.41527 6.51466
174 3KRL KRL 0.00003686 0.48569 6.56716
175 2F57 23D 0.00001321 0.53874 6.62461
176 4WOV 3SM 0.00008179 0.50836 6.62461
177 3HAV ATP 0.0002815 0.50433 6.68896
178 4AT3 LTI 0.00006423 0.42667 6.68896
179 3SLS ANP 0.000005472 0.52019 6.90789
180 5VC5 96M 0.00003702 0.44794 6.92042
181 4Y0X ADP 0.000136 0.49199 6.93333
182 5W4W 9WG 0.0001964 0.41986 6.94864
183 4KBA 1QM 0.0009362 0.40089 6.94864
184 4D2S DYK 0.00001793 0.53951 7.04225
185 4Y8D 49J 0.00001176 0.52796 7.05882
186 4FL3 ANP 0.000003851 0.52596 7.07763
187 2X4Z X4Z 0.0001272 0.40285 7.09459
188 3NW7 LGV 0.000317 0.48878 7.16612
189 2WU6 DKI 0.00002497 0.48854 7.34908
190 4KS7 X4Z 0.00004801 0.47361 7.53425
191 5MJA 7O3 0.00001723 0.53341 7.54098
192 5CEO 50D 0.00001707 0.49526 7.66667
193 3VMG 9CA 0.0133 0.40371 7.82609
194 1OBD ATP 0.005907 0.42044 7.84314
195 5H2U 1N1 0.000117 0.48393 7.86517
196 5IQD RIO 0.008067 0.41678 7.86885
197 5IQD GNP 0.007633 0.41678 7.86885
198 4YMJ 4EJ 0.0000001177 0.68231 7.89474
199 4L3L 5FI 0.00002161 0.52186 7.89474
200 5DA3 58V 0.00000239 0.58923 7.92453
201 3C0G 3AM 0.0000001615 0.6362 7.97721
202 4CSV STI 0.0001115 0.45802 8
203 5L8L ADP 0.00004637 0.52685 8.07018
204 3Q60 ATP 0.0001528 0.48409 8.08625
205 5JFS 6K0 0.00003587 0.52615 8.11688
206 4JR7 GNP 0.0000007069 0.58185 8.28877
207 4BHN BH9 0.0000426 0.49248 8.38323
208 5LXT ACP 0.002961 0.40509 8.39161
209 5AX9 4KT 0.000009025 0.53304 8.44156
210 2WEL K88 0.000001345 0.46541 8.56269
211 5LXC 7AA 0.000006348 0.49668 8.82353
212 2V7O DRN 0.000001107 0.49451 8.92857
213 3VPB ADP 0.001319 0.40691 8.92857
214 3DAK ANP 0.000003033 0.56824 8.96552
215 4WW7 AMP 0.0002457 0.45307 9.09091
216 3PP0 03Q 0.0001161 0.4385 9.1716
217 4IJP 1EH 0.00003607 0.49553 9.21788
218 2VN9 GVD 0.000001973 0.60226 9.30233
219 3PLS ANP 0.00004296 0.50896 9.39597
220 3VHE 42Q 0.00004294 0.43429 10.0279
221 3AVR OGA 0.004388 0.44324 10.0457
222 5W2I I3P 0.001319 0.41135 10.1167
223 5W2I ADP 0.001319 0.41135 10.1167
224 1TZD ADP 0.001572 0.46831 10.1818
225 4Y85 499 0.0002886 0.47163 10.241
226 4IX4 ADP 0.0004172 0.45058 10.2857
227 5UOX 8GY 0.00009216 0.47044 10.3321
228 1XJD STU 0.00002654 0.50663 10.4348
229 2PVF ACP 0.00000332 0.55913 10.7784
230 3GQI ACP 0.00004323 0.50302 11.0429
231 3SRV S19 0.000002115 0.52401 11.1913
232 4LRJ ANP 0.0003999 0.46524 11.2426
233 4L9I 8PR 0.0001569 0.48357 11.3095
234 4F4P 0SB 0.000173 0.51196 11.3553
235 3RI1 3RH 0.00004006 0.45325 11.5016
236 1ZY5 ANP 0.000006218 0.54683 11.5512
237 5JKG 6LF 0.0003842 0.47671 11.5756
238 5UR1 YY9 0.00006606 0.42001 11.5756
239 4A4X JUP 0.00003688 0.45527 11.8721
240 4ASE AV9 0.00001918 0.45615 12.7479
241 4X7Q 3YR 0.00001499 0.52332 12.8205
242 4WNK 453 0.000228 0.41806 13.0137
243 3GNI ATP 0.00002867 0.49975 13.1105
244 5UKL SIX 0.0001967 0.47621 13.9269
245 3PVW QRX 0.0001836 0.432 13.9269
246 4NW6 2NS 0.000002927 0.45851 13.9319
247 2Z7R STU 0.000006334 0.5172 14.0187
248 5M06 ADP 0.00001439 0.53702 14.1304
249 4AG8 AXI 0.00005192 0.40644 14.2405
250 5GZ9 ANP 0.000006009 0.53347 14.4262
251 3PE2 E1B 0.0000387 0.53105 14.5401
252 2B9F ADP 0.00000725 0.53724 14.7309
253 2ZV2 609 0.000001871 0.59439 14.7651
254 3AQV TAK 0.00008476 0.46668 14.8551
255 2R5T ANP 0.000008274 0.5128 15.0134
256 2PVN P63 0.000003033 0.47776 15.0568
257 4G17 0VN 0.0004127 0.4262 15.1515
258 2JLD AG1 0.000006905 0.44166 15.2381
259 4WB7 ATP 0.00001097 0.4266 15.5556
260 3E5A VX6 0.00006301 0.45763 15.9091
261 4XV1 904 0.00002829 0.52184 16.0959
262 3KMW ATP 0.001548 0.43871 16.2791
263 2B9J ADP 0.000005425 0.5495 16.4306
264 2B9I ADP 0.00001162 0.5282 16.4306
265 2B9H ADP 0.000009778 0.51259 16.4306
266 5EKO N17 0.0007658 0.44339 16.7116
267 1CM8 ANP 0.0000577 0.50318 16.8937
268 4CQE CQE 0.0001173 0.4653 16.9065
269 4CRL C1I 0.00009354 0.40985 17.2414
270 3H9R TAK 0.000001013 0.61664 17.4312
271 4XW2 SIM 0.0244 0.4219 17.6768
272 4LOO SB4 0.0004163 0.45961 17.7285
273 3ZRM ZRM 0.00002096 0.51689 17.7898
274 3RE4 TO1 0.00002529 0.5396 17.8295
275 2A19 ANP 0.00001094 0.55723 17.9577
276 4WB6 ATP 0.00000595 0.48334 18
277 3FHR P4O 0.00055 0.44978 18.1548
278 4NST ADP 0.00001103 0.5292 18.8034
279 2QCS ANP 0.000002808 0.55463 18.8571
280 3FHI ANP 0.000004145 0.54728 18.8571
281 3F7Z 34O 0.000006909 0.53816 18.8571
282 1RE8 BD2 0.00004513 0.52796 18.8571
283 3IDB ANP 0.000005557 0.51013 18.8571
284 5EFQ ADP 0.000004869 0.54487 19.0202
285 4C2V YJA 0.0002626 0.41245 19.6491
286 4CFU 2WC 0.000002458 0.57245 19.802
287 4BCM T7Z 0.000003054 0.6022 19.9336
288 4BCQ TJF 0.00005799 0.52215 19.9336
289 4BCN T9N 0.000003512 0.57298 20
290 3GC0 AMP 0.000004104 0.56979 20.0608
291 4C2W ANP 0.00001321 0.46988 20.0717
292 2XMY CDK 0.00003898 0.54737 20.1342
293 1V0O INR 0.00001096 0.52322 20.1389
294 5LMK 6ZK 0.00006802 0.50588 20.202
295 5EYK 5U5 0.00008808 0.43834 20.2899
296 4USF 6UI 0.0001542 0.4752 20.3947
297 4NM5 ADP 0.00005335 0.4714 20.8333
298 4AU8 Z3R 0.000006964 0.56674 21.9595
299 5G1X ADP 0.00005104 0.50558 22.2222
300 1UNH IXM 0.000001573 0.58948 22.2603
301 3O0G 3O0 0.000002619 0.51805 22.2603
302 4WNP 3RJ 0.000002426 0.58058 22.9965
303 5HQ0 LZ9 0.000004272 0.53471 23.1788
304 2YAB AMP 0.00003213 0.50305 23.2687
305 2WQN ADP 0.00002048 0.53679 23.5484
306 5LXM ADP 0.00003827 0.51122 23.6842
307 5VCV 1N1 0.00007208 0.45908 24.4373
308 4AUA 4AU 0.00000921 0.53913 25.4072
309 2YAK OSV 0.0000361 0.43669 25.9649
310 5A6N U7E 0.00002818 0.49338 26.5018
311 3M2W L8I 0.00001617 0.54164 29.7659
312 5K2M ADP 0.005309 0.40904 30.1887
313 4Q5H ANP 0.0008823 0.44521 32.8947
314 4H3P ANP 0.000007664 0.53617 33.3333
315 5LVP ATP 0.000004374 0.49366 40
Pocket No.: 3; Query (leader) PDB : 4CYI; Ligand: ATP; Similar sites found: 23
This union binding pocket(no: 3) in the query (biounit: 4cyi.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3EJW PAV 0.02041 0.40081 1.90476
2 3GJB AKG 0.02271 0.40268 2.50784
3 4GLW 0XT 0.01958 0.40171 2.62295
4 2ZL7 FUC GAL NGA 0.009032 0.42503 2.71186
5 1GSA ADP 0.0005935 0.45238 2.8481
6 2CSN CKI 0.00008104 0.43769 3.0303
7 3BP1 GUN 0.01584 0.4146 3.10345
8 1UPR 4IP 0.004263 0.43716 3.25203
9 5TZ6 7OD 0.01422 0.40054 3.57143
10 5OFW 9TW 0.01299 0.41614 3.58744
11 5LXB 7A9 0.02515 0.40136 4.13223
12 3HRD FAD 0.00925 0.42224 4.375
13 3HRD MCN 0.0168 0.40311 4.375
14 4RJD TFP 0.02201 0.40202 4.54545
15 5L6G XYP 0.01463 0.41858 5.02283
16 3G6K FAD 0.01206 0.40747 5.19481
17 2ZHL NAG GAL GAL NAG 0.0116 0.40473 5.40541
18 4UAL 3FV 0.00002145 0.50063 5.72792
19 3E7O 35F 0.0002836 0.47871 6.38889
20 2F2U M77 0.000007387 0.56283 6.46766
21 1XI9 PLP 0.01941 0.4019 7.14286
22 2XK9 XK9 0.00003032 0.52907 8.07453
23 1O9U ADZ 0.000001099 0.62278 27.7778
Pocket No.: 4; Query (leader) PDB : 4CYI; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4cyi.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4CYI; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4cyi.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4CYI; Ligand: ATP; Similar sites found: 7
This union binding pocket(no: 6) in the query (biounit: 4cyi.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ME6 ADP 0.02275 0.40579 1.29534
2 5CAD PCA 0.02926 0.40073 2.29592
3 1AUX AGS 0.006712 0.40627 2.89389
4 5N17 8FK 0.01691 0.41362 3.62319
5 1OIK AKG 0.02095 0.40868 6.31229
6 3VPD ANP 0.004303 0.40953 6.40569
7 1OGZ EQU 0.009537 0.41057 7.2
Pocket No.: 7; Query (leader) PDB : 4CYI; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4cyi.bio3) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4CYI; Ligand: ATP; Similar sites found: 17
This union binding pocket(no: 8) in the query (biounit: 4cyi.bio3) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4D4U FUC GAL 0.01835 0.41166 1.5873
2 4D52 GIV 0.02975 0.40127 1.5873
3 4D52 GXL 0.02975 0.40127 1.5873
4 3KA2 2NC 0.003781 0.44004 2.46305
5 4MBY BGC SIA GAL 0.02041 0.40847 2.51799
6 4NYT PC 0.007711 0.40722 2.76498
7 3LN9 FLC 0.01658 0.40388 2.8777
8 4JNJ BTN 0.008008 0.41197 3.47826
9 3DNT ATP 0.003178 0.41521 4.3379
10 4A91 GLU 0.003537 0.44939 4.36242
11 3T2W BTN 0.01477 0.40713 4.91803
12 1M3U KPL 0.02444 0.40026 5.30303
13 3AIH BMA MAN MAN 0.01712 0.41467 10.4839
14 3QX9 ATP 0.0119 0.42056 13.7681
15 2RIF AMP 0.01424 0.40031 16.3121
16 5BYZ 4WE 0.0004077 0.4037 18.1034
17 2CHT TSA 0.02689 0.40225 22.8346
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