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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...
View in 3D viewer
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 293 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 250 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 204 families.
1 4CYI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 5FA 0.985507 1
4 AQP 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 SAP 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 ACQ 0.794872 0.972222
20 TAT 0.794872 0.958904
21 T99 0.794872 0.958904
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 AMP 0.788732 0.971429
25 A 0.788732 0.971429
26 ANP 0.772152 0.972222
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 PRX 0.734177 0.893333
32 APC 0.734177 0.958904
33 ABM 0.733333 0.917808
34 ATF 0.731707 0.958904
35 ITT 0.730769 0.943662
36 7D4 0.730769 0.905405
37 ADQ 0.729412 0.945205
38 A3R 0.729412 0.907895
39 AP2 0.714286 0.958904
40 A12 0.714286 0.958904
41 A1R 0.709302 0.907895
42 SRA 0.706667 0.918919
43 5AL 0.698795 0.931507
44 HFD 0.695122 0.945946
45 9X8 0.693182 0.92
46 OAD 0.693182 0.945205
47 AU1 0.6875 0.972222
48 SRP 0.682353 0.906667
49 G5P 0.680851 0.921053
50 25A 0.678161 0.971831
51 3OD 0.677778 0.945205
52 4AD 0.670455 0.92
53 G3A 0.670213 0.921053
54 00A 0.662921 0.883117
55 RBY 0.662651 0.932432
56 ADP PO3 0.662651 0.943662
57 ADV 0.662651 0.932432
58 BIS 0.659341 0.933333
59 8QN 0.659091 0.931507
60 5SV 0.659091 0.848101
61 OOB 0.659091 0.931507
62 GTA 0.65625 0.886076
63 UP5 0.653061 0.92
64 AMO 0.651685 0.932432
65 PAJ 0.651685 0.884615
66 2A5 0.650602 0.918919
67 MAP 0.647727 0.945946
68 3AT 0.647059 0.971831
69 AHX 0.644444 0.896104
70 DLL 0.644444 0.931507
71 ATR 0.642857 0.971429
72 PAP 0.642857 0.985714
73 PTJ 0.641304 0.896104
74 7D3 0.6375 0.905405
75 3UK 0.637363 0.918919
76 SON 0.634146 0.932432
77 A4P 0.633663 0.843373
78 ALF ADP 0.632184 0.87013
79 ADP ALF 0.632184 0.87013
80 PR8 0.630435 0.85
81 WAQ 0.630435 0.883117
82 LAD 0.630435 0.860759
83 B5V 0.630435 0.906667
84 AFH 0.628866 0.884615
85 LMS 0.628205 0.82716
86 GAP 0.627907 0.893333
87 DTP 0.627907 0.905405
88 VO4 ADP 0.625 0.931507
89 ADP VO4 0.625 0.931507
90 TXA 0.623656 0.932432
91 ME8 0.623656 0.839506
92 1ZZ 0.623656 0.839506
93 NB8 0.623656 0.896104
94 FYA 0.623656 0.905405
95 DQV 0.622449 0.958333
96 T5A 0.621359 0.841463
97 ADN 0.619718 0.84507
98 RAB 0.619718 0.84507
99 XYA 0.619718 0.84507
100 DAL AMP 0.611111 0.905405
101 9SN 0.610526 0.871795
102 48N 0.61 0.896104
103 AP0 0.607843 0.896104
104 9ZD 0.604396 0.907895
105 9ZA 0.604396 0.907895
106 FA5 0.604167 0.906667
107 B5M 0.604167 0.894737
108 YAP 0.604167 0.894737
109 B5Y 0.604167 0.894737
110 NAI 0.60396 0.907895
111 6V0 0.60396 0.896104
112 TXD 0.60396 0.907895
113 DND 0.60396 0.932432
114 NXX 0.60396 0.932432
115 NAX 0.60396 0.873418
116 ADP BMA 0.602151 0.918919
117 A2R 0.6 0.985915
118 OMR 0.598039 0.851852
119 TXE 0.598039 0.907895
120 XAH 0.597938 0.839506
121 7DT 0.593023 0.985714
122 AOC 0.592593 0.821918
123 4UV 0.591837 0.894737
124 DDS 0.590909 0.878378
125 139 0.590476 0.873418
126 CNA 0.584906 0.932432
127 6AD 0.58427 0.909091
128 5AS 0.583333 0.77907
129 5N5 0.581081 0.819444
130 GA7 0.58 0.906667
131 4UU 0.58 0.894737
132 4TC 0.576923 0.896104
133 ADJ 0.575472 0.851852
134 5CD 0.573333 0.805556
135 A4D 0.573333 0.819444
136 RGT 0.571429 0.958904
137 A3P 0.571429 0.971429
138 7D5 0.56962 0.878378
139 LAQ 0.568627 0.839506
140 F2R 0.564815 0.864198
141 80F 0.563636 0.841463
142 YLP 0.563107 0.819277
143 A A 0.5625 0.944444
144 UPA 0.561905 0.907895
145 AV2 0.56044 0.917808
146 COD 0.559633 0.811765
147 4UW 0.557692 0.860759
148 JB6 0.556701 0.883117
149 3AM 0.555556 0.929577
150 ATP A A A 0.555556 0.930556
151 A2P 0.552941 0.957143
152 TYM 0.552381 0.906667
153 NA7 0.552083 0.958904
154 EP4 0.551282 0.753247
155 MYR AMP 0.55102 0.817073
156 PPS 0.549451 0.873418
157 YLC 0.54717 0.839506
158 YLB 0.54717 0.819277
159 NAD 0.545455 0.931507
160 DAT 0.545455 0.905405
161 TYR AMP 0.544554 0.87013
162 G5A 0.544444 0.77907
163 M2T 0.544304 0.734177
164 DTA 0.544304 0.786667
165 3DH 0.54321 0.773333
166 128 0.542857 0.776471
167 AHZ 0.538462 0.817073
168 GTP 0.537634 0.92
169 SSA 0.537634 0.8
170 MTA 0.5375 0.773333
171 IOT 0.537037 0.831325
172 A3D 0.535714 0.918919
173 ARG AMP 0.533981 0.829268
174 7MD 0.533981 0.8625
175 AR6 AR6 0.533981 0.917808
176 YLA 0.53211 0.819277
177 AMP DBH 0.529412 0.893333
178 IMO 0.529412 0.929577
179 TAD 0.528846 0.884615
180 AYB 0.527273 0.809524
181 A5A 0.526882 0.807229
182 HDV 0.526882 0.893333
183 TSB 0.526316 0.819277
184 EAD 0.525424 0.873418
185 2AM 0.52439 0.943662
186 6RE 0.52381 0.759494
187 7DD 0.522727 0.985714
188 V3L 0.521739 0.971831
189 AVV 0.520833 0.896104
190 BTX 0.517857 0.841463
191 NAE 0.517241 0.894737
192 52H 0.515789 0.77907
193 54H 0.515789 0.788235
194 VMS 0.515789 0.788235
195 NSS 0.515464 0.8
196 BT5 0.513274 0.831325
197 NAQ 0.512821 0.871795
198 ZAS 0.511905 0.766234
199 J7C 0.511628 0.769231
200 A3N 0.511628 0.786667
201 5X8 0.511111 0.763158
202 53H 0.510417 0.77907
203 8X1 0.510417 0.752809
204 5CA 0.510417 0.8
205 NVA LMS 0.510204 0.752809
206 ARU 0.510204 0.860759
207 AF3 ADP 3PG 0.509259 0.8375
208 ZID 0.508475 0.918919
209 P1H 0.508197 0.851852
210 OVE 0.505882 0.905405
211 S4M 0.505747 0.666667
212 LEU LMS 0.50505 0.752809
213 LPA AMP 0.504673 0.817073
214 7MC 0.504587 0.841463
215 DZD 0.5 0.884615
216 FB0 0.5 0.804598
217 MAO 0.5 0.759036
218 DSZ 0.5 0.8
219 LSS 0.5 0.761364
220 DSH 0.5 0.725
221 P5A 0.5 0.744444
222 NDE 0.495935 0.932432
223 N0B 0.495798 0.819277
224 M24 0.495726 0.85
225 YLY 0.495726 0.809524
226 NJP 0.495575 0.945946
227 9K8 0.49505 0.714286
228 MGP 0.494737 0.884615
229 6C6 0.494624 0.881579
230 NAJ PZO 0.491379 0.848101
231 0WD 0.491228 0.921053
232 6G0 0.489583 0.884615
233 GJV 0.488636 0.75
234 6FA 0.488189 0.841463
235 5AD 0.486842 0.746479
236 KAA 0.485149 0.752809
237 GSU 0.485149 0.77907
238 71V 0.483146 0.907895
239 NEC 0.482759 0.746667
240 A3G 0.482759 0.8
241 ODP 0.482456 0.909091
242 FAS 0.48062 0.851852
243 FAD 0.48062 0.851852
244 7D7 0.480519 0.743243
245 FDA 0.480315 0.833333
246 N6P 0.48 0.915493
247 2SA 0.479167 0.932432
248 GP3 0.478723 0.921053
249 4TA 0.478261 0.807229
250 SFG 0.478261 0.75
251 G A A A 0.478261 0.871795
252 AMP NAD 0.478261 0.905405
253 NPW 0.477876 0.886076
254 NDP 0.477876 0.921053
255 NDC 0.47619 0.871795
256 YSA 0.47619 0.77907
257 NAJ PYZ 0.475 0.807229
258 MGO 0.474227 0.860759
259 GDP 0.473684 0.92
260 NZQ 0.473684 0.909091
261 TXP 0.473684 0.921053
262 6IA 0.473684 0.8375
263 A7D 0.472527 0.776316
264 SFD 0.469231 0.734043
265 A5D 0.468085 0.786667
266 SA8 0.468085 0.707317
267 ZDA 0.468085 0.864865
268 12D 0.46789 0.785714
269 PGS 0.467391 0.883117
270 MHZ 0.467391 0.697674
271 8PZ 0.466667 0.8
272 62F 0.466165 0.8625
273 DA 0.465909 0.878378
274 D5M 0.465909 0.878378
275 GGZ 0.464646 0.825
276 SAH 0.463158 0.74359
277 SAI 0.463158 0.734177
278 FAY 0.462687 0.8625
279 Y3J 0.4625 0.726027
280 PO4 PO4 A A A A PO4 0.460784 0.902778
281 AAM 0.460674 0.971429
282 RFL 0.459259 0.821429
283 SMM 0.459184 0.686047
284 HF7 0.459184 0.893333
285 AMZ 0.458824 0.916667
286 C2R 0.458824 0.90411
287 SAM 0.458333 0.690476
288 A3S 0.456522 0.810811
289 FNK 0.455224 0.804598
290 U A 0.453782 0.907895
291 7C5 0.453704 0.818182
292 EEM 0.453608 0.690476
293 AAT 0.453608 0.707317
294 XNP 0.452991 0.873418
295 A G 0.452991 0.883117
296 PRT 0.45283 0.931507
297 AIR 0.451219 0.901408
298 62X 0.45098 0.666667
299 DCA 0.45 0.823529
300 ETB 0.45 0.833333
301 GSP 0.45 0.873418
302 U A G G 0.449153 0.883117
303 NIA 0.448276 0.822785
304 A3T 0.446809 0.821918
305 A A A 0.446602 0.905405
306 K15 0.446602 0.682353
307 PUA 0.446281 0.884615
308 6K6 0.445545 0.930556
309 GEK 0.445545 0.7375
310 4YB 0.445455 0.761364
311 S7M 0.444444 0.690476
312 Z5A 0.443548 0.77907
313 1DG 0.443548 0.921053
314 DG1 0.443548 0.921053
315 0T1 0.442623 0.823529
316 COA 0.442623 0.823529
317 WSA 0.442478 0.788235
318 8BR 0.43956 0.906667
319 8Q2 0.438596 0.772727
320 101 0.438202 0.878378
321 IDP 0.4375 0.918919
322 NVA 2AD 0.4375 0.759494
323 9JJ 0.435714 0.8625
324 NAP 0.435484 0.945205
325 APU 0.434783 0.894737
326 A U 0.434783 0.87013
327 7RP 0.433333 0.928571
328 A6D 0.432692 0.722892
329 AMX 0.432 0.833333
330 J7V 0.432 0.833333
331 TAP 0.432 0.907895
332 COS 0.432 0.804598
333 CAO 0.432 0.795455
334 30N 0.432 0.752688
335 V1N 0.431193 0.917808
336 649 0.429825 0.744444
337 P5F 0.429577 0.823529
338 NA0 0.428571 0.932432
339 SCO 0.428571 0.823529
340 CMX 0.428571 0.823529
341 7RA 0.428571 0.957747
342 0UM 0.427184 0.698795
343 GAV 0.427184 0.884615
344 QQY 0.426966 0.815789
345 1RB 0.426966 0.885714
346 ACK 0.426966 0.861111
347 G1R 0.425743 0.907895
348 GCP 0.425743 0.896104
349 FAM 0.425197 0.804598
350 FCX 0.425197 0.795455
351 ACO 0.425197 0.795455
352 GNH 0.424242 0.907895
353 F2N 0.423611 0.813953
354 GKE 0.422018 0.884615
355 GDD 0.422018 0.884615
356 GDC 0.422018 0.884615
357 HAX 0.421875 0.804598
358 3AD 0.421687 0.805556
359 9GM 0.421569 0.896104
360 GNP 0.421569 0.896104
361 FA9 0.42069 0.864198
362 TM1 0.420561 0.77381
363 KB1 0.420561 0.698795
364 H6Y 0.42 0.945205
365 2MC 0.419847 0.769231
366 3KK 0.418605 0.804598
367 FYN 0.418605 0.823529
368 S8M 0.417476 0.759494
369 7L1 0.417323 0.795455
370 2VA 0.416667 0.8
371 26A 0.416667 0.763158
372 NHD 0.416667 0.905405
373 QQX 0.41573 0.805195
374 CA6 0.415385 0.729167
375 OXK 0.415385 0.804598
376 COK 0.415385 0.804598
377 SOP 0.415385 0.804598
378 MCD 0.415385 0.804598
379 YE1 0.413534 0.813953
380 RMB 0.413043 0.873239
381 FAI 0.413043 0.916667
382 AS 0.413043 0.833333
383 CO6 0.412214 0.804598
384 1VU 0.412214 0.795455
385 CMC 0.412214 0.804598
386 NMX 0.412214 0.76087
387 SXZ 0.411215 0.710843
388 ANZ 0.410714 0.8
389 SCA 0.410448 0.804598
390 CAJ 0.409091 0.804598
391 SCD 0.409091 0.823529
392 EO7 0.408602 0.788235
393 D3Y 0.407767 0.789474
394 CC5 0.407407 0.816901
395 KH3 0.40708 0.674419
396 A C A C 0.406504 0.848101
397 SLU 0.406504 0.770115
398 G 0.40625 0.906667
399 5GP 0.40625 0.906667
400 A1S 0.406015 0.804598
401 IVC 0.406015 0.813953
402 MLC 0.406015 0.804598
403 3HC 0.406015 0.813953
404 1HE 0.406015 0.786517
405 BCO 0.406015 0.804598
406 GTG 0.405405 0.886076
407 NMN AMP PO4 0.404959 0.87013
408 3D1 0.404762 0.773333
409 3L1 0.404762 0.773333
410 2BA 0.404255 0.915493
411 CMP 0.404255 0.901408
412 VRT 0.40404 0.769231
413 SO8 0.40404 0.789474
414 MCA 0.402985 0.795455
415 COO 0.402985 0.804598
416 CAA 0.402985 0.813953
417 3NZ 0.401869 0.782051
418 G2R 0.401869 0.884615
419 ZZB 0.4 0.77381
420 2FA 0.4 0.813333
421 MC4 0.4 0.76087
422 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 with APoc: 466
This union binding pocket(no: 1) in the query (biounit: 4cyi.bio4) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2OO8 RAJ 0.946372
2 4I6H 1C8 0.974026
3 5NKB 8ZT 1.30719
4 2CFM AMP 1.36986
5 4U98 ACP 1.36986
6 3B2Q AES 1.36986
7 1OFL ASG GCD 1.36986
8 5FBN 5WF 1.47601
9 4NZN 2OU 1.51515
10 4NZN ANP 1.51515
11 3ALN ANP 1.52905
12 3VRY B43 1.59817
13 4Y93 746 1.59817
14 2YFO GAL 1.59817
15 2YFO GLA 1.59817
16 3WVR AMP 1.59817
17 1U59 STU 1.74216
18 5WNL STU 1.75439
19 3VPC ADP 1.77305
20 3V4S ATP 1.80879
21 5HCY 60D 1.81269
22 4N70 2HX 1.82927
23 3LXK MI1 1.83486
24 3VOT ADP 1.88235
25 2YW2 ATP 1.88679
26 2PYW ADP 1.90476
27 5DH3 5BS 1.90476
28 3CY2 MB9 1.91083
29 4M26 AKG 1.92308
30 5TA6 79D 1.95531
31 6G34 5ID 1.96078
32 1IR3 ANP 1.96078
33 4OUC 5ID 1.96078
34 5C1P ADP 1.96078
35 2XVD AS6 1.98676
36 4AZW ATP 2.05479
37 3UDZ ADP 2.05479
38 2IO8 ADP 2.05479
39 3FC2 IBI 2.08955
40 4YZN 4K5 2.09059
41 3ORQ ADP 2.12202
42 1PK8 ATP 2.1327
43 2OFV 242 2.16606
44 5UIU 8CG 2.16718
45 4LH7 1X8 2.16718
46 3BZ3 YAM 2.17391
47 5U6C 7YS 2.22222
48 2PUL ACP 2.267
49 3IGO ANP 2.28311
50 6FL8 TIY 2.28311
51 6FL8 ADP 2.28311
52 1EU1 GLC 2.28311
53 3BU5 ATP 2.28758
54 5X9D 80F 2.30263
55 6F3G CJN 2.37288
56 4E93 GUI 2.38727
57 5LPZ ADP 2.40964
58 4CLI 5P8 2.44648
59 4XH0 ADP 2.48139
60 4PZ6 GMP 2.48139
61 5EQY 5RA 2.49377
62 3GJB AKG 2.50784
63 4OH4 ANP 2.51142
64 6F6D AKG 2.51142
65 5IM3 DTP 2.51142
66 5MW8 ATP 2.51142
67 4MBY BGC SIA GAL 2.51799
68 4NFE BEN 2.53165
69 4FG8 ATP 2.53968
70 3PDT ADP 2.54545
71 3ORK AGS 2.57235
72 2HK5 1BM 2.59259
73 2Q7D ANP 2.60116
74 4GLW 0XT 2.62295
75 5LY2 OGA 2.62467
76 1K3A ACP 2.67559
77 6AC9 ANP 2.7027
78 2ZL7 FUC GAL NGA 2.71186
79 1ZP9 ATP 2.71318
80 1ZTH ADP 2.71318
81 5CKW ANP 2.73973
82 4FXQ G9L 2.73973
83 4FE2 ADP 2.7451
84 5USZ SKE 2.76817
85 3ZJX BOG 2.76817
86 3ETH ATP 2.8169
87 5TO8 7FM 2.83688
88 1GSA ADP 2.8481
89 1AUX AGS 2.89389
90 4EWH T77 2.90909
91 3MVH WFE 2.92398
92 6GZD LCI 2.94118
93 2VK2 GZL 2.94118
94 5ZCT ANP 2.94118
95 6C1S EFV 2.96804
96 5VLQ ANP 2.96804
97 4OCJ NDG 2.96804
98 5WO4 B7V 2.98013
99 4TR9 38D 2.98103
100 6F5W KG1 2.98103
101 4U44 3D9 3.01205
102 2CSN CKI 3.0303
103 1FDJ 13P 3.0303
104 4ZGP ADP 3.07167
105 2Y6O 1N1 3.09278
106 5DRB 5FJ 3.09278
107 5HCT 61P 3.10263
108 3BP1 GUN 3.10345
109 1T36 ADP 3.14136
110 6ES0 BW8 3.15457
111 1Y57 MPZ 3.19635
112 2H8H H8H 3.19635
113 2QK4 ATP 3.19635
114 2QF7 AGS 3.19635
115 1UPR 4IP 3.25203
116 3RMK BML 3.26797
117 3X01 AMP 3.30789
118 3UIM ANP 3.37423
119 3TKI S25 3.40557
120 2HY0 306 3.41615
121 3WO0 ADP 3.42466
122 3WO0 ALA 3.42466
123 5YK1 ANP 3.42466
124 4E1Z 0MX 3.43643
125 4JNJ BTN 3.47826
126 6BFN DL1 3.50877
127 4OTH DRN 3.51906
128 1JPA ANP 3.52564
129 4DC2 ADE 3.53535
130 5YF9 NIO 3.53982
131 4RDL FUC GAL NDG FUC 3.57143
132 5OFW 9TW 3.58744
133 2ZJ1 NAD 3.65297
134 2ZJ1 ARJ 3.65297
135 1M0W ANP 3.65297
136 4UWH JXM 3.65297
137 5LPB ADP 3.71622
138 3K5I ADP 3.72208
139 3C1X CKK 3.75335
140 2HFK E4H 3.76176
141 5QIN J2V 3.79747
142 2GQR ADP 3.79747
143 4U0I 0LI 3.80952
144 3G5D 1N1 3.84615
145 4GJ3 0XP 3.88128
146 3LXN MI1 3.88128
147 4ONA UW1 3.88128
148 5VZ0 ADP 3.88128
149 4M69 ANP 3.88693
150 4IDT T28 3.93258
151 5LI1 ANP 3.9548
152 1VJY 460 3.9604
153 5LI9 ACP 4
154 5T8O 76Z 4.01146
155 1U5R ATP 4.02299
156 1PHK ATP 4.02685
157 4UXL 5P8 4.03727
158 3PN1 IVH 4.08805
159 2VPQ ANP 4.10959
160 2X2M X2M 4.14013
161 1W2D ADP 4.15094
162 6FYV 3NG 4.1543
163 3TII ANP 4.21053
164 4OCV ANP 4.22164
165 5KO1 6UY 4.24028
166 2YGO PCF 4.25532
167 3AKK ADP 4.30769
168 5X8I SQZ 4.33526
169 5OES ADP 4.3379
170 3HRD FAD 4.375
171 5DEY 59T 4.3771
172 5EOB 5QQ 4.38871
173 4DOO DAO 4.39024
174 2OVD DAO 4.3956
175 4CC6 L5Y 4.40252
176 1S68 AMP 4.41767
177 6G33 5ID 4.42478
178 5MY8 RXZ 4.43864
179 1ZDQ MSM 4.46429
180 2VZ6 FEF 4.47284
181 3SXS PP2 4.47761
182 2YGN PCF 4.48718
183 3RWP ABQ 4.50161
184 4RFM 3P6 4.51128
185 4QMN DB8 4.51613
186 3W54 RNB 4.55927
187 1XF1 CIT 4.56621
188 6GQM F8H 4.57317
189 2RIO ADP 4.60829
190 3GGF GVD 4.65116
191 5EZ1 ICB 4.69314
192 5COU ATP 4.70588
193 6GWR FEW 4.7619
194 5Y86 HRM 4.79452
195 3HZT J60 4.79452
196 3I0O ADP 4.79452
197 5DXT 5H5 4.79452
198 3ZGJ RMN 4.85175
199 5HES 032 4.88599
200 4YZC STU 4.93827
201 1Z2P I3S 4.93827
202 1Z2P ACP 4.93827
203 4FF8 14S 4.95356
204 1TQP ATP 4.96454
205 4DFU QUE 4.96894
206 5C4L 4XR 4.98442
207 4I94 ANP 5
208 4QTB 38Z 5
209 1OPK P16 5.02283
210 2QX0 PH2 5.03145
211 4GYI ADP 5.03778
212 5JGA 6KC 5.07937
213 5HVJ ANP 5.07937
214 2QL9 CIT 5.15464
215 4R78 AMP 5.17799
216 5DBX ANP 5.18293
217 3G6K POP 5.19481
218 5DMZ ADP 5.20548
219 2WEI VGG 5.22648
220 3KN5 ANP 5.23077
221 3TTI KBI 5.25114
222 5AE9 OKO 5.25114
223 5OKT 9XK 5.25114
224 6EZ6 C5Z 5.25114
225 5BVE 4VG 5.26316
226 5FI4 5XV 5.26316
227 2BKK ADP 5.30303
228 1M3U KPL 5.30303
229 6GIN IR2 5.31561
230 3TM0 B31 5.32319
231 3TM0 ANP 5.32319
232 3V8S 0HD 5.36585
233 2VFK AMP 5.36585
234 2ZHL NAG GAL GAL NAG 5.40541
235 2QLU ADE 5.47945
236 2IF8 ADP 5.50964
237 4ZS4 ATP 5.53746
238 4P5Z Q7M 5.54017
239 5AWM ANP 5.58376
240 4BTK DTQ 5.63798
241 4EUU BX7 5.64263
242 3GC8 B45 5.67568
243 4G31 0WH 5.68562
244 6BXI ANP 5.70571
245 4UAL 3FV 5.72792
246 1BYG STU 5.7554
247 2VQD AP2 5.81897
248 4K33 ACP 5.84615
249 3HMO STU 5.84795
250 5I35 ANP 5.85242
251 1Q8Y ADP 5.89812
252 1Q8Y ADE 5.89812
253 1RPJ ALL 5.90278
254 2GQS ADP 5.90717
255 2PZI AXX 5.93607
256 3DLS ADP 5.97015
257 4WHZ 3NL 5.97403
258 5OLK DTP 6.04651
259 1IA9 ANP 6.07143
260 4IRX INS 6.08108
261 2GOO NDG 6.10687
262 5C03 AGS 6.14035
263 4NFN 2KC 6.14887
264 1I7L ATP 6.14887
265 3E8N VRA 6.15836
266 3E8N ATP 6.15836
267 5DZT AMP 6.16438
268 6MB9 NMY 6.20438
269 1P6O HPY 6.21118
270 3TXO 07U 6.23229
271 4IZY 1J2 6.23306
272 5IH9 6BF 6.26866
273 2FN8 RIP 6.27063
274 4BFM ANP 6.28743
275 4UX9 ANP 6.31868
276 3PTG 932 6.33609
277 4H3Q ANP 6.35359
278 4F9C 0SX 6.37119
279 3E7O 35F 6.38889
280 5N87 N66 6.38978
281 5JZJ AN2 6.39731
282 3VPD ANP 6.40569
283 2F2U M77 6.46766
284 6E8I PTR 6.50888
285 3EKK GS2 6.51466
286 3KRL KRL 6.56716
287 6FYL 3NG 6.61157
288 2F57 23D 6.62461
289 4WOV 3SM 6.62461
290 4AT3 LTI 6.68896
291 3HAV ATP 6.68896
292 3AB4 THR 6.74157
293 6C7Y ADP 6.83761
294 2V58 LZJ 6.90423
295 3SLS ANP 6.90789
296 5VC5 96M 6.92042
297 4Y0X ADP 6.93333
298 5W4W 9WG 6.94864
299 4KBA 1QM 6.94864
300 4Y8D 49J 7.05882
301 4FL3 ANP 7.07763
302 5W7B MYR 7.0922
303 3NW7 LGV 7.16612
304 5XVG 8FX 7.16724
305 2WU6 DKI 7.34908
306 3TDV GDP 7.51634
307 4KS7 X4Z 7.53425
308 5MJA 7O3 7.54098
309 5CEO 50D 7.66667
310 5Y80 IRE 7.66773
311 6CQF F97 7.74411
312 5EH0 5NW 7.75194
313 5ENQ 5QE 7.76256
314 3VMG 9CA 7.82609
315 1OBD ATP 7.84314
316 1IOW ADP 7.84314
317 1IOW PHY 7.84314
318 5H2U 1N1 7.86517
319 6CGD AKN 7.86885
320 6CGD GNP 7.86885
321 4L3L 5FI 7.89474
322 4YMJ 4EJ 7.89474
323 6CZ3 FLJ 7.95455
324 3C0G 3AM 7.97721
325 4CSV STI 8
326 5L8L ADP 8.07018
327 2XK9 XK9 8.07453
328 3Q60 ATP 8.08625
329 5JFS 6K0 8.11688
330 4TWP AXI 8.11808
331 5ODT ADP 8.12721
332 2OWZ CIT 8.13253
333 4JR7 GNP 8.28877
334 4BHN BH9 8.38323
335 5LXT ACP 8.39161
336 5AX9 4KT 8.44156
337 5EW9 5VC 8.48709
338 2WEL K88 8.56269
339 1SWG BTN 8.59375
340 1MFI FHC 8.77193
341 2V7O DRN 8.92857
342 3VPB ADP 8.92857
343 6C0T EE4 8.93372
344 3DAK ANP 8.96552
345 4WW7 AMP 9.09091
346 6A1G 9OL 9.16667
347 3PP0 03Q 9.1716
348 4IJP 1EH 9.21788
349 2VN9 GVD 9.30233
350 3PLS ANP 9.39597
351 2D6M LBT 9.43396
352 6E2O S0L 9.49153
353 3VHE 42Q 10.0279
354 3AVR OGA 10.0457
355 4PNI KQQ 10.1604
356 1TZD ADP 10.1818
357 4Y85 499 10.241
358 4IX4 ADP 10.2857
359 1XJD STU 10.4348
360 2PVF ACP 10.7784
361 1ONI BEZ 10.8696
362 2J7T 274 10.9272
363 3GQI ACP 11.0429
364 3SRV S19 11.1913
365 4LRJ ANP 11.2426
366 4L9I 8PR 11.3095
367 4F4P 0SB 11.3553
368 3RI1 3RH 11.5016
369 1ZY5 ANP 11.5512
370 5UR1 YY9 11.5756
371 5JKG 6LF 11.5756
372 1OUK 084 11.7486
373 4A4X JUP 11.8721
374 1VKF CIT 12.234
375 5OMY 9YE 12.532
376 4ASE AV9 12.7479
377 4X7Q 3YR 12.8205
378 5OD2 5ID 12.8821
379 4WNK 453 13.0137
380 3GNI ATP 13.1105
381 1CBK ROI 13.125
382 3PVW QRX 13.9269
383 5UKL SIX 13.9269
384 4NW6 2NS 13.9319
385 2Z7R STU 14.0187
386 5M06 ADP 14.1304
387 4AG8 AXI 14.2405
388 5GZ9 ANP 14.4262
389 3PE2 E1B 14.5401
390 2B9F ADP 14.7309
391 2ZV2 609 14.7651
392 3AQV TAK 14.8551
393 2R5T ANP 15.0134
394 2PVN P63 15.0568
395 4G17 0VN 15.1515
396 2JLD AG1 15.2381
397 3LQV ADE 15.3846
398 4WB7 ATP 15.5556
399 3E5A VX6 15.9091
400 5ZCO CHD 16.0714
401 5W97 CHD 16.0714
402 4XV1 904 16.0959
403 3KMW ATP 16.2791
404 2B9H ADP 16.4306
405 2B9J ADP 16.4306
406 2B9I ADP 16.4306
407 2JDR L20 16.6667
408 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 16.6667
409 5EKO N17 16.7116
410 1CM8 ANP 16.8937
411 4CQE CQE 16.9065
412 4CRL C1I 17.2414
413 5ZTN CUR 17.3516
414 3H9R TAK 17.4312
415 4LOO SB4 17.7285
416 3ZRM ZRM 17.7898
417 3RE4 TO1 17.8295
418 2A19 ANP 17.9577
419 4WB6 ATP 18
420 3FHR P4O 18.1548
421 5UPK ANP 18.75
422 4NST ADP 18.8034
423 2QCS ANP 18.8571
424 3FHI ANP 18.8571
425 3IDB ANP 18.8571
426 1RE8 BD2 18.8571
427 3F7Z 34O 18.8571
428 5EFQ ADP 19.0202
429 6CMJ F6J 19.6262
430 4C2V YJA 19.6491
431 4CFU 2WC 19.802
432 6GUE FB8 19.8675
433 2GU8 796 19.8813
434 4BCM T7Z 19.9336
435 4BCQ TJF 19.9336
436 4BCN T9N 20
437 3GC0 AMP 20.0608
438 4C2W ANP 20.0717
439 2XMY CDK 20.1342
440 1V0O INR 20.1389
441 5LMK 6ZK 20.202
442 5EYK 5U5 20.2899
443 4USF 6UI 20.3947
444 4NM5 ADP 20.8333
445 2BPM 529 21.6828
446 4AU8 Z3R 21.9595
447 5G1X ADP 22.2222
448 3O0G 3O0 22.2603
449 1UNH IXM 22.2603
450 4WNP 3RJ 22.9965
451 6GU6 1QK 23.1788
452 5HQ0 LZ9 23.1788
453 2YAB AMP 23.2687
454 2WQN ADP 23.5484
455 5LXM ADP 23.6842
456 5VCV 1N1 24.4373
457 4AUA 4AU 25.4072
458 2YAK OSV 25.9649
459 4NTM 2K8 26.4463
460 5A6N U7E 26.5018
461 1O9U ADZ 27.7778
462 3M2W L8I 29.7659
463 5K2M ADP 30.1887
464 4Q5H ANP 32.8947
465 4H3P ANP 33.3333
466 5LVP ATP 40
Pocket No.: 2; Query (leader) PDB : 4CYI; Ligand: ATP; Similar sites found with APoc: 30
This union binding pocket(no: 2) in the query (biounit: 4cyi.bio4) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2X1L MET 1.36986
2 4L80 OXL 1.72414
3 5M90 JIF 2.05479
4 2R7K AMZ 2.49307
5 2R7K ACP 2.49307
6 2F7A BEZ 2.58621
7 2IOY RIP 3.18021
8 1DRJ RIP 4.05904
9 5W75 SUC 4.08163
10 1X0P FAD 4.1958
11 5Y2W PGA 4.2735
12 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 4.28016
13 4RQL SNE 4.3379
14 5LU5 M7P 4.56853
15 1XVB BHL 5.39846
16 3BU1 HSM 5.40541
17 1OS7 AKG 5.65371
18 4PU5 ANP 5.93607
19 5LQ8 GB 6.02837
20 1OIK AKG 6.31229
21 1OIJ AKG 6.31229
22 4WOE 3S5 6.39269
23 4N7C AEF 6.81818
24 6C8X BVR 7.07071
25 1T0S BML 8.13953
26 3PAK MAN 9.45946
27 5HV0 AKG 11.5207
28 4XW2 SIM 17.6768
29 3W0O ADP 18.0516
30 3W0O HY0 18.0516
Pocket No.: 3; Query (leader) PDB : 4CYI; Ligand: ATP; Similar sites found with APoc: 27
This union binding pocket(no: 3) in the query (biounit: 4cyi.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5O2N FLC 1.82648
2 3EJW PAV 1.90476
3 1ZX5 LFR 2
4 4CSD MFU 2.20588
5 3WGT FAD 2.59366
6 5OC1 ANN 2.73973
7 2XOC ADP 3.06513
8 2YRX AMP 3.42466
9 5TZ6 7OD 3.57143
10 3ZNN FAD 4.03458
11 3ZNN 4WL 4.03458
12 5LXB 7A9 4.13223
13 3HRD MCN 4.375
14 6HDT BTN 4.51128
15 4RJD TFP 4.54545
16 5L6G XYP 5.02283
17 3G6K FAD 5.19481
18 5IBE 69M 5.55556
19 3SCH TB6 5.55556
20 3EW2 BTN 5.92593
21 5A5W GUO 5.92885
22 6BU0 IHP 6.10687
23 1XI9 PLP 7.14286
24 3NYC FAD 9.18635
25 3NYC IAR 9.18635
26 5HP8 PYR 10.4839
27 3KP6 SAL 11.2583
Pocket No.: 4; Query (leader) PDB : 4CYI; Ligand: ATP; Similar sites found with APoc: 17
This union binding pocket(no: 4) in the query (biounit: 4cyi.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2BIF SIN 1.59817
2 5CKS GAL 2.2792
3 5JDA SIN 2.50696
4 1E4E ADP 2.62391
5 5ZMY TAR 2.86624
6 3LOO B4P 3.0137
7 3NZ1 3NY 3.06513
8 2FZW NAD 3.48525
9 5N17 8FK 3.62319
10 4CCK OGA 4.10959
11 4Y9J UCC 4.10959
12 1W2D 4IP 4.15094
13 4A91 GLU 4.36242
14 3T2W BTN 4.91803
15 2ZRU FMN 7.6087
16 4MV1 ADP 14.3162
17 2CHT TSA 22.8346
Pocket No.: 5; Query (leader) PDB : 4CYI; Ligand: ATP; Similar sites found with APoc: 10
This union binding pocket(no: 5) in the query (biounit: 4cyi.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4D52 GXL 1.5873
2 2UVO NAG 1.75439
3 4UBS DIF 2.29008
4 2OS2 OGA 2.62467
5 2XN2 GLA 2.96804
6 2ZYI STE 3.19635
7 6EQS BV8 3.63636
8 1FAO 4IP 8.73016
9 3MMH SME 8.98204
10 5L8N 6RQ 10.9375
Pocket No.: 6; Query (leader) PDB : 4CYI; Ligand: ATP; Similar sites found with APoc: 3
This union binding pocket(no: 6) in the query (biounit: 4cyi.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5CAD PCA 2.29592
2 1EWF PC1 2.96804
3 2DDQ HRB 7.33945
Pocket No.: 7; Query (leader) PDB : 4CYI; Ligand: ATP; Similar sites found with APoc: 7
This union binding pocket(no: 7) in the query (biounit: 4cyi.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2BMB PMM 1.82648
2 1QD1 FON 2.15385
3 5TV6 PML 2.91667
4 5LA1 XYP 3.42466
5 1M1B SPV 3.72881
6 5C8W PCG 5.59441
7 2QES ADE 8.04598
Pocket No.: 8; Query (leader) PDB : 4CYI; Ligand: ATP; Similar sites found with APoc: 13
This union binding pocket(no: 8) in the query (biounit: 4cyi.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4D4U FUC GAL 1.5873
2 4D52 GIV 1.5873
3 4M3P HCS 2.21675
4 4KTP BGC 2.51142
5 1WEI ADE 2.66667
6 4NYT PC 2.76498
7 3LN9 FLC 2.8777
8 4UDK NDG 3.7464
9 3DNT ATP 4.3379
10 3ROE THM 4.90566
11 3AIH BMA MAN MAN 10.4839
12 3QX9 ATP 13.7681
13 2RIF AMP 16.3121
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