Receptor
PDB id Resolution Class Description Source Keywords
3I7V 1.95 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF AP4A HYDROLASE COMPLEXED WITH AP4A (ATP FROM AQUIFEX AEOLICUS VF5 AQUIFEX AEOLICUS VF5 NUDIX PROTEIN DIADENOSINE POLYPHOSPHATE AP4A HYDROLASE SGENOMICS NPPSFA NATIONAL PROJECT ON PROTEIN STRUCTURAL ANFUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: FREE AND ATP-BOUND STRUCTURES OF AP(4)A HYDROLASE F AQUIFEX AEOLICUS V5 ACTA CRYSTALLOGR.,SECT.D V. 66 116 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:135;
B:135;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
B4P A:136;
Valid;
none;
submit data
836.387 C20 H28 N10 O19 P4 c1nc(...
EDO A:137;
A:138;
A:139;
B:138;
B:139;
B:140;
B:141;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GOL B:136;
B:137;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3I7V 1.95 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF AP4A HYDROLASE COMPLEXED WITH AP4A (ATP FROM AQUIFEX AEOLICUS VF5 AQUIFEX AEOLICUS VF5 NUDIX PROTEIN DIADENOSINE POLYPHOSPHATE AP4A HYDROLASE SGENOMICS NPPSFA NATIONAL PROJECT ON PROTEIN STRUCTURAL ANFUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: FREE AND ATP-BOUND STRUCTURES OF AP(4)A HYDROLASE F AQUIFEX AEOLICUS V5 ACTA CRYSTALLOGR.,SECT.D V. 66 116 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 3I7V - B4P C20 H28 N10 O19 P4 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 209 families.
1 3I7V - B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 3I7V - B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
2 1VC9 Kd = 13 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1VC8 - 5FA C10 H18 N5 O19 P5 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
Ligand no: 2; Ligand: B4P; Similar ligands found: 424
No: Ligand ECFP6 Tc MDL keys Tc
1 AP5 1 1
2 B4P 1 1
3 BA3 0.984615 1
4 AQP 0.942029 0.971831
5 5FA 0.942029 0.971831
6 ATP 0.927536 0.971831
7 HEJ 0.927536 0.971831
8 A2D 0.924242 1
9 ADP 0.884058 0.971831
10 SAP 0.875 0.92
11 AGS 0.875 0.92
12 AT4 0.84507 0.932432
13 AN2 0.84507 0.958333
14 APR 0.835616 0.971831
15 AR6 0.835616 0.971831
16 M33 0.833333 0.958333
17 AD9 0.824324 0.945205
18 ACP 0.821918 0.945205
19 ANP 0.802632 0.945205
20 ACQ 0.802632 0.945205
21 AMP 0.797101 0.943662
22 A 0.797101 0.943662
23 6YZ 0.794872 0.945205
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 50T 0.773333 0.931507
27 ABM 0.763889 0.917808
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.932432
30 T99 0.75641 0.932432
31 TAT 0.75641 0.932432
32 A22 0.753086 0.985915
33 25L 0.752941 0.985915
34 AP2 0.743243 0.932432
35 A12 0.743243 0.932432
36 APC 0.74026 0.932432
37 SRA 0.736111 0.893333
38 A1R 0.73494 0.907895
39 ADQ 0.73494 0.972222
40 A3R 0.73494 0.907895
41 5AL 0.725 0.931507
42 G5P 0.722222 0.921053
43 9X8 0.717647 0.92
44 OAD 0.717647 0.945205
45 AU1 0.714286 0.945205
46 G3A 0.711111 0.921053
47 SRP 0.707317 0.906667
48 8QN 0.702381 0.931507
49 3OD 0.701149 0.945205
50 GTA 0.695652 0.886076
51 4AD 0.694118 0.92
52 UP5 0.691489 0.945946
53 ADV 0.6875 0.932432
54 ADP PO3 0.6875 0.943662
55 RBY 0.6875 0.932432
56 00A 0.686047 0.907895
57 5SV 0.682353 0.848101
58 OOB 0.682353 0.958333
59 25A 0.682353 0.971831
60 BIS 0.681818 0.907895
61 AMO 0.674419 0.932432
62 PAJ 0.674419 0.884615
63 7D4 0.670886 0.88
64 ITT 0.670886 0.916667
65 MAP 0.670588 0.92
66 A4P 0.670103 0.843373
67 DLL 0.666667 0.958333
68 AHX 0.666667 0.896104
69 3UK 0.659091 0.945205
70 SON 0.658228 0.906667
71 T5A 0.656566 0.864198
72 ADP ALF 0.654762 0.87013
73 ALF ADP 0.654762 0.87013
74 LMS 0.653333 0.82716
75 B5V 0.651685 0.932432
76 LAD 0.651685 0.860759
77 PR8 0.651685 0.85
78 WAQ 0.651685 0.883117
79 GAP 0.650602 0.893333
80 AFH 0.648936 0.909091
81 ADP VO4 0.647059 0.931507
82 VO4 ADP 0.647059 0.931507
83 TXA 0.644444 0.932432
84 NB8 0.644444 0.896104
85 PTJ 0.644444 0.871795
86 FYA 0.644444 0.931507
87 1ZZ 0.644444 0.839506
88 ME8 0.644444 0.839506
89 DQV 0.642105 0.985915
90 HFD 0.638554 0.92
91 2A5 0.634146 0.893333
92 DAL AMP 0.632184 0.905405
93 9SN 0.630435 0.896104
94 48N 0.628866 0.896104
95 PAP 0.626506 0.957747
96 ATR 0.626506 0.943662
97 9ZD 0.625 0.883117
98 9ZA 0.625 0.883117
99 YAP 0.623656 0.92
100 B5Y 0.623656 0.92
101 FA5 0.623656 0.932432
102 B5M 0.623656 0.92
103 RAB 0.623188 0.84507
104 ADN 0.623188 0.84507
105 XYA 0.623188 0.84507
106 NXX 0.622449 0.958904
107 NAX 0.622449 0.897436
108 6V0 0.622449 0.921053
109 TXD 0.622449 0.933333
110 NAI 0.622449 0.933333
111 DND 0.622449 0.958904
112 7D3 0.620253 0.88
113 XAH 0.617021 0.839506
114 OMR 0.616162 0.851852
115 TXE 0.616162 0.933333
116 AOC 0.615385 0.821918
117 4UV 0.610526 0.92
118 AP0 0.61 0.921053
119 5N5 0.605634 0.819444
120 5AS 0.604938 0.77907
121 ADP BMA 0.604396 0.945205
122 A2R 0.602273 0.958333
123 CNA 0.601942 0.958904
124 4UU 0.597938 0.92
125 GA7 0.597938 0.932432
126 A4D 0.597222 0.819444
127 5CD 0.597222 0.805556
128 4TC 0.594059 0.921053
129 3AT 0.593023 0.944444
130 139 0.592233 0.897436
131 ADJ 0.592233 0.875
132 LAQ 0.585859 0.839506
133 F2R 0.580952 0.841463
134 A A 0.580645 0.944444
135 YLP 0.58 0.819277
136 COD 0.575472 0.811765
137 DTP 0.574713 0.88
138 JB6 0.574468 0.907895
139 4UW 0.574257 0.884615
140 EP4 0.573333 0.753247
141 A3P 0.573171 0.943662
142 ATP A A A 0.572917 0.957747
143 7D5 0.571429 0.853333
144 TYM 0.568627 0.932432
145 MYR AMP 0.568421 0.817073
146 6AD 0.568182 0.884615
147 DTA 0.565789 0.810811
148 M2T 0.565789 0.734177
149 80F 0.564815 0.864198
150 3DH 0.564103 0.773333
151 G5A 0.563218 0.77907
152 UPA 0.563107 0.933333
153 YLC 0.563107 0.839506
154 YLB 0.563107 0.819277
155 TYR AMP 0.561224 0.894737
156 NAD 0.560748 0.958333
157 TSB 0.56044 0.819277
158 MTA 0.558442 0.773333
159 3AM 0.556962 0.902778
160 SSA 0.555556 0.8
161 AHZ 0.554455 0.817073
162 A2P 0.554217 0.929577
163 NA7 0.553191 0.932432
164 IOT 0.552381 0.809524
165 PPS 0.550562 0.85
166 A3D 0.550459 0.945205
167 7MD 0.55 0.8625
168 AR6 AR6 0.55 0.944444
169 ARG AMP 0.55 0.807229
170 54H 0.549451 0.788235
171 VMS 0.549451 0.788235
172 YLA 0.54717 0.819277
173 AMP DBH 0.545455 0.918919
174 TAD 0.544554 0.884615
175 AV2 0.544444 0.891892
176 A5A 0.544444 0.807229
177 6RE 0.54321 0.7375
178 AYB 0.542056 0.809524
179 7DT 0.54023 0.957747
180 DDS 0.539326 0.853333
181 AVV 0.537634 0.896104
182 52H 0.532609 0.77907
183 BTX 0.53211 0.819277
184 NSS 0.531915 0.8
185 NAE 0.530973 0.92
186 ZAS 0.530864 0.766234
187 J7C 0.53012 0.746835
188 A3N 0.53012 0.786667
189 IMO 0.53012 0.902778
190 DAT 0.528736 0.88
191 BT5 0.527273 0.809524
192 8X1 0.526882 0.752809
193 5CA 0.526882 0.8
194 53H 0.526882 0.77907
195 NVA LMS 0.526316 0.752809
196 ARU 0.526316 0.8375
197 NAQ 0.526316 0.896104
198 EAD 0.525862 0.897436
199 9K8 0.525773 0.733333
200 RGT 0.525253 0.932432
201 2AM 0.525 0.916667
202 S4M 0.52381 0.666667
203 AF3 ADP 3PG 0.52381 0.8375
204 V3L 0.522222 0.944444
205 ZID 0.521739 0.945205
206 LEU LMS 0.520833 0.752809
207 LPA AMP 0.519231 0.817073
208 7MC 0.518868 0.841463
209 DSH 0.518072 0.725
210 MAO 0.517647 0.759036
211 DSZ 0.515789 0.8
212 LSS 0.515789 0.761364
213 P5A 0.515464 0.744444
214 DZD 0.513514 0.909091
215 FB0 0.512397 0.784091
216 5X8 0.511364 0.763158
217 GP3 0.511111 0.921053
218 M24 0.508772 0.873418
219 YLY 0.508772 0.809524
220 N0B 0.508621 0.841463
221 P1H 0.508333 0.875
222 5AD 0.506849 0.746479
223 OVE 0.506024 0.88
224 GJV 0.505882 0.728395
225 7DD 0.505747 0.957747
226 NAJ PZO 0.504425 0.871795
227 GSU 0.5 0.77907
228 KAA 0.5 0.752809
229 128 0.5 0.776471
230 NEC 0.5 0.746667
231 NDE 0.495868 0.932432
232 NJP 0.495495 0.945946
233 6C6 0.494505 0.857143
234 SFG 0.494382 0.75
235 FDA 0.491935 0.833333
236 4TA 0.491071 0.829268
237 AMP NAD 0.491071 0.931507
238 0WD 0.491071 0.921053
239 YSA 0.490196 0.8
240 GTP 0.489362 0.894737
241 A7D 0.488636 0.776316
242 6FA 0.488 0.864198
243 NDC 0.487805 0.896104
244 NAJ PYZ 0.487179 0.829268
245 SA8 0.483516 0.707317
246 A5D 0.483516 0.810811
247 MHZ 0.483146 0.697674
248 71V 0.482759 0.883117
249 A3G 0.482353 0.8
250 ODP 0.482143 0.909091
251 Y3J 0.480519 0.726027
252 8PZ 0.480392 0.821429
253 FAD 0.480315 0.875
254 SFD 0.480315 0.752688
255 FAS 0.480315 0.875
256 7D7 0.48 0.743243
257 GGZ 0.479167 0.825
258 HDV 0.478723 0.868421
259 SAH 0.478261 0.74359
260 SAI 0.478261 0.734177
261 G A A A 0.477876 0.871795
262 NDP 0.477477 0.921053
263 NPW 0.477477 0.886076
264 PO4 PO4 A A A A PO4 0.474747 0.929577
265 SMM 0.473684 0.686047
266 NZQ 0.473214 0.909091
267 TXP 0.473214 0.921053
268 6IA 0.473118 0.814815
269 SAM 0.473118 0.690476
270 AAT 0.468085 0.707317
271 EEM 0.468085 0.690476
272 7C5 0.466667 0.818182
273 PGS 0.466667 0.858974
274 FNK 0.465649 0.804598
275 62F 0.465649 0.886076
276 U A 0.465517 0.907895
277 DA 0.465116 0.853333
278 D5M 0.465116 0.853333
279 A G 0.464912 0.883117
280 N6P 0.464646 0.915493
281 GSP 0.463918 0.85
282 2SA 0.463158 0.906667
283 FAY 0.462121 0.886076
284 A3T 0.461538 0.821918
285 U A G G 0.46087 0.883117
286 A A A 0.46 0.905405
287 AAM 0.45977 0.943662
288 GEK 0.459184 0.7375
289 RFL 0.458647 0.843373
290 6G0 0.458333 0.860759
291 S7M 0.458333 0.690476
292 4YB 0.457944 0.781609
293 C2R 0.457831 0.878378
294 AMZ 0.457831 0.890411
295 GDP 0.457447 0.894737
296 A3S 0.455556 0.810811
297 Z5A 0.454545 0.8
298 WSA 0.454545 0.809524
299 12D 0.453704 0.785714
300 XNP 0.452174 0.873418
301 8Q2 0.45045 0.793103
302 62X 0.45 0.666667
303 AIR 0.45 0.875
304 ETB 0.449153 0.811765
305 DCA 0.449153 0.802326
306 MGP 0.447917 0.860759
307 NIA 0.447059 0.8
308 A6D 0.445545 0.743902
309 K15 0.445545 0.682353
310 PUA 0.445378 0.884615
311 9JJ 0.445255 0.886076
312 6K6 0.444444 0.90411
313 V1N 0.443396 0.944444
314 0T1 0.441667 0.802326
315 COA 0.441667 0.802326
316 649 0.441441 0.764045
317 0UM 0.44 0.698795
318 P5F 0.438849 0.823529
319 GCP 0.438776 0.871795
320 G1R 0.438776 0.883117
321 GNH 0.4375 0.883117
322 3AD 0.4375 0.805556
323 101 0.436782 0.853333
324 NVA 2AD 0.43617 0.759494
325 NAP 0.434426 0.945205
326 9GM 0.434343 0.871795
327 GNP 0.434343 0.871795
328 APU 0.433628 0.894737
329 A U 0.433628 0.894737
330 KB1 0.432692 0.719512
331 F2N 0.432624 0.813953
332 7RP 0.431818 0.901408
333 CAO 0.430894 0.775281
334 TAP 0.430894 0.907895
335 AMX 0.430894 0.811765
336 DG1 0.430894 0.921053
337 COS 0.430894 0.784091
338 30N 0.430894 0.734043
339 1DG 0.430894 0.921053
340 2VA 0.430108 0.8
341 S8M 0.43 0.759494
342 GTG 0.429907 0.886076
343 FA9 0.429577 0.864198
344 MGO 0.428571 0.8375
345 SCO 0.427419 0.802326
346 CMX 0.427419 0.802326
347 NA0 0.427419 0.932432
348 NHD 0.42735 0.931507
349 7RA 0.426966 0.930556
350 AS 0.426966 0.810127
351 QQY 0.425287 0.815789
352 ACK 0.425287 0.861111
353 ACO 0.424 0.775281
354 FAM 0.424 0.784091
355 FCX 0.424 0.775281
356 CC5 0.423077 0.816901
357 SXZ 0.423077 0.710843
358 EO7 0.422222 0.788235
359 8BR 0.422222 0.881579
360 IDP 0.421053 0.893333
361 ZDA 0.421053 0.84
362 HAX 0.420635 0.784091
363 GDC 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDD 0.420561 0.884615
366 J7V 0.419355 0.833333
367 TM1 0.419048 0.77381
368 2MC 0.418605 0.75
369 CMP 0.417582 0.928571
370 2BA 0.417582 0.942857
371 FYN 0.417323 0.802326
372 3KK 0.417323 0.784091
373 SLU 0.416667 0.790698
374 SO8 0.416667 0.789474
375 7L1 0.416 0.775281
376 NMN AMP PO4 0.415254 0.894737
377 26A 0.414634 0.763158
378 HF7 0.414141 0.868421
379 MCD 0.414062 0.784091
380 SOP 0.414062 0.784091
381 COK 0.414062 0.784091
382 CA6 0.414062 0.71134
383 OXK 0.414062 0.784091
384 QQX 0.413793 0.805195
385 G2R 0.413462 0.860759
386 PRT 0.411215 0.905405
387 FAI 0.411111 0.890411
388 RMB 0.411111 0.847222
389 CO6 0.410853 0.784091
390 1VU 0.410853 0.775281
391 CMC 0.410853 0.784091
392 NMX 0.410853 0.741935
393 SCA 0.409091 0.784091
394 SP1 0.409091 0.866667
395 ANZ 0.409091 0.8
396 1RB 0.409091 0.859155
397 RP1 0.409091 0.866667
398 NFD 0.408333 0.907895
399 SCD 0.407692 0.802326
400 CAJ 0.407692 0.784091
401 D3Y 0.405941 0.813333
402 KH3 0.405405 0.674419
403 A C A C 0.404959 0.871795
404 N01 0.404959 0.931507
405 A1S 0.40458 0.784091
406 3HC 0.40458 0.793103
407 BCO 0.40458 0.784091
408 IVC 0.40458 0.793103
409 MLC 0.40458 0.784091
410 1HE 0.40458 0.766667
411 G 0.404255 0.881579
412 5GP 0.404255 0.881579
413 R5I 0.40404 0.893333
414 R7I 0.40404 0.893333
415 G2Q 0.403846 0.860759
416 3D1 0.402439 0.773333
417 3L1 0.402439 0.773333
418 VRT 0.402062 0.769231
419 COO 0.401515 0.784091
420 MCA 0.401515 0.775281
421 CAA 0.401515 0.793103
422 YE1 0.401515 0.813953
423 3NZ 0.4 0.805195
424 GMV 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3I7V; Ligand: ATP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3i7v.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3I7V; Ligand: B4P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3i7v.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3I7V; Ligand: ATP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3i7v.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback