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Receptor
PDB id Resolution Class Description Source Keywords
1Q20 2.3 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF HUMAN CHOLESTEROL SULFOTRANSFERASE (SUL THE PRESENCE OF PAP AND PREGNENOLONE HOMO SAPIENS SULFOTRANSFERASE PREGNENOLONE CHOLESTEROL PAP SULT2B1B TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF HUMAN CHOLESTEROL SULFOTRANSFE (SULT2B1B) IN THE PRESENCE OF PREGNENOLONE AND 3'-PHOSPHOADENOSINE 5'-PHOSPHATE. RATIONALE FOR SPE DIFFERENCES BETWEEN PROTOTYPICAL SULT2A1 AND THE SU ISOFORMS. J.BIOL.CHEM. V. 278
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A3P A:314;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
NA A:313;
Part of Protein;
none;
submit data
22.99 Na [Na+]
PLO A:401;
Valid;
none;
submit data
316.478 C21 H32 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q20 2.3 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF HUMAN CHOLESTEROL SULFOTRANSFERASE (SUL THE PRESENCE OF PAP AND PREGNENOLONE HOMO SAPIENS SULFOTRANSFERASE PREGNENOLONE CHOLESTEROL PAP SULT2B1B TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF HUMAN CHOLESTEROL SULFOTRANSFE (SULT2B1B) IN THE PRESENCE OF PREGNENOLONE AND 3'-PHOSPHOADENOSINE 5'-PHOSPHATE. RATIONALE FOR SPE DIFFERENCES BETWEEN PROTOTYPICAL SULT2A1 AND THE SU ISOFORMS. J.BIOL.CHEM. V. 278
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 1Q20 - PLO C21 H32 O2 CC(=O)[C@H....
2 1Q22 - AND C19 H28 O2 C[C@]12CC[....
3 1Q1Z - A3P C10 H15 N5 O10 P2 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 237 families.
1 1Q20 - PLO C21 H32 O2 CC(=O)[C@H....
2 1Q22 - AND C19 H28 O2 C[C@]12CC[....
3 1Q1Z - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3QVU Ki = 283 uM NPO C6 H5 N O3 c1cc(ccc1[....
2 2D06 Ki = 83.2 uM EST C18 H24 O2 C[C@]12CC[....
3 3U3R - NPO C6 H5 N O3 c1cc(ccc1[....
4 3QVV Ki = 38 uM 3QV C10 H5 N O3 c1cc2c(cc1....
5 3U3O - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
6 1Z29 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
7 1Z28 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
8 3U3M - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
9 3U3K - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
10 1LS6 - NPO C6 H5 N O3 c1cc(ccc1[....
11 3BFX - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
12 4JVM ic50 = 33 nM XDI C15 H12 Br4 O2 CC(C)(c1cc....
13 1G3M ic50 ~ 0.15 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
14 1HY3 - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
15 4JVL - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
16 4JVN ic50 = 23 nM YUG C12 H6 Br4 O2 c1cc(c(cc1....
17 2GWH - PCI C6 H Cl5 O c1(c(c(c(c....
18 1Q20 - PLO C21 H32 O2 CC(=O)[C@H....
19 1Q22 - AND C19 H28 O2 C[C@]12CC[....
20 1Q1Z - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
21 2ZYU - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
22 2ZYV - NPO C6 H5 N O3 c1cc(ccc1[....
23 2ZYT - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
24 2ZVP - NPO C6 H5 N O3 c1cc(ccc1[....
25 2ZVQ - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
26 2ZYW - NPO C6 H5 N O3 c1cc(ccc1[....
27 2ZPT - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
28 1J99 - AND C19 H28 O2 C[C@]12CC[....
29 1EFH - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
30 2Z5F - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
31 1AQU - EST C18 H24 O2 C[C@]12CC[....
32 1AQY - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
33 1BO6 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A3P; Similar ligands found: 402
No: Ligand ECFP6 Tc MDL keys Tc
1 A3P 1 1
2 PAP 0.835616 0.985507
3 PPS 0.802632 0.871795
4 3AM 0.794118 0.956522
5 AMP 0.684932 0.971014
6 A 0.684932 0.971014
7 A2P 0.684211 0.985294
8 7D5 0.666667 0.902778
9 2AM 0.635135 0.942857
10 A A A 0.611111 0.90411
11 ATR 0.595238 0.971014
12 ABM 0.594937 0.916667
13 A2D 0.594937 0.943662
14 ADP 0.592593 0.971429
15 SRA 0.589744 0.917808
16 A A 0.586957 0.943662
17 ADN 0.585714 0.816901
18 RAB 0.585714 0.816901
19 XYA 0.585714 0.816901
20 AN2 0.585366 0.957747
21 A22 0.58427 0.957747
22 PUA 0.583333 0.883117
23 0WD 0.580952 0.894737
24 AP2 0.580247 0.931507
25 BA3 0.580247 0.943662
26 A12 0.580247 0.931507
27 ATP A A A 0.578947 0.929577
28 25A 0.577778 0.971429
29 SAP 0.576471 0.918919
30 AGS 0.576471 0.918919
31 AP5 0.573171 0.943662
32 B4P 0.573171 0.943662
33 ATP 0.571429 0.971429
34 HEJ 0.571429 0.971429
35 OVE 0.56962 0.90411
36 7D3 0.567901 0.90411
37 AT4 0.566265 0.931507
38 AQP 0.564706 0.971429
39 2A5 0.564706 0.917808
40 APC 0.564706 0.931507
41 5FA 0.564706 0.971429
42 V3L 0.563218 0.971429
43 APU 0.563107 0.918919
44 PAX 0.5625 0.85
45 DCA 0.559633 0.8
46 ETB 0.559633 0.809524
47 CA0 0.559524 0.917808
48 AU1 0.559524 0.944444
49 M33 0.559524 0.930556
50 ADX 0.559524 0.848101
51 A2R 0.555556 0.957747
52 ACP 0.552941 0.944444
53 50T 0.552941 0.930556
54 COA 0.54955 0.8
55 0T1 0.54955 0.8
56 AR6 0.546512 0.943662
57 PRX 0.546512 0.891892
58 APR 0.546512 0.943662
59 ACQ 0.545455 0.944444
60 TAT 0.545455 0.931507
61 T99 0.545455 0.931507
62 DA 0.54321 0.902778
63 D5M 0.54321 0.902778
64 7D4 0.541176 0.90411
65 AD9 0.54023 0.944444
66 ADV 0.54023 0.905405
67 RBY 0.54023 0.905405
68 ADQ 0.537634 0.917808
69 30N 0.535088 0.731183
70 COS 0.535088 0.781609
71 CAO 0.535088 0.772727
72 AMX 0.535088 0.809524
73 CMX 0.530435 0.8
74 SCO 0.530435 0.8
75 SON 0.529412 0.931507
76 ANP 0.52809 0.944444
77 GAP 0.52809 0.891892
78 7D7 0.527778 0.763889
79 6YZ 0.527473 0.944444
80 5N5 0.527027 0.791667
81 OOB 0.526882 0.930556
82 NA7 0.526316 0.931507
83 ACO 0.525862 0.772727
84 FCX 0.525862 0.772727
85 FAM 0.525862 0.781609
86 ADP PO3 0.522727 0.942857
87 5AL 0.522222 0.930556
88 HAX 0.521368 0.781609
89 5CD 0.52 0.802817
90 A4D 0.52 0.791667
91 LMS 0.518519 0.825
92 3KK 0.516949 0.781609
93 FYN 0.516949 0.8
94 ATF 0.516484 0.931507
95 00A 0.515789 0.881579
96 DLL 0.515789 0.930556
97 DTA 0.512821 0.783784
98 SOP 0.512605 0.781609
99 OXK 0.512605 0.781609
100 CA6 0.512605 0.708333
101 COK 0.512605 0.781609
102 MCD 0.512605 0.781609
103 VO4 ADP 0.51087 0.930556
104 ADP VO4 0.51087 0.930556
105 SRP 0.51087 0.905405
106 9ZD 0.510638 0.906667
107 9ZA 0.510638 0.906667
108 ADP BMA 0.510417 0.891892
109 25L 0.510204 0.957747
110 G A A A 0.509091 0.87013
111 A C A C 0.508929 0.846154
112 1VU 0.508333 0.772727
113 NMX 0.508333 0.73913
114 CO6 0.508333 0.781609
115 CMC 0.508333 0.781609
116 MTA 0.506329 0.77027
117 A3G 0.506024 0.773333
118 PAJ 0.505263 0.858974
119 A U 0.504673 0.868421
120 2MC 0.504132 0.747253
121 CAJ 0.504132 0.781609
122 SCD 0.504132 0.8
123 EP4 0.5 0.75
124 3OD 0.5 0.917808
125 BCO 0.5 0.781609
126 IVC 0.5 0.790698
127 ADP ALF 0.5 0.868421
128 A1S 0.5 0.781609
129 ALF ADP 0.5 0.868421
130 3HC 0.5 0.790698
131 MLC 0.5 0.781609
132 FYA 0.5 0.90411
133 1HE 0.5 0.764045
134 PTJ 0.5 0.894737
135 MAP 0.5 0.918919
136 COO 0.495935 0.781609
137 MCA 0.495935 0.772727
138 CAA 0.495935 0.790698
139 YE1 0.495935 0.790698
140 U A C C 0.495575 0.857143
141 A G 0.495495 0.881579
142 3UK 0.494845 0.917808
143 9X8 0.494845 0.893333
144 OAD 0.494845 0.917808
145 5SV 0.494737 0.846154
146 8QN 0.494737 0.930556
147 101 0.493976 0.902778
148 6RE 0.493976 0.75641
149 3DH 0.493827 0.77027
150 M2T 0.493671 0.730769
151 5AD 0.493151 0.742857
152 MC4 0.491935 0.73913
153 SCA 0.491935 0.781609
154 2CP 0.491935 0.772727
155 U A G G 0.491071 0.881579
156 WAQ 0.489796 0.881579
157 B5V 0.489796 0.905405
158 4AD 0.489583 0.893333
159 AMO 0.489583 0.905405
160 A3R 0.489583 0.881579
161 A1R 0.489583 0.881579
162 AOC 0.488095 0.819444
163 COW 0.488 0.772727
164 CA8 0.488 0.708333
165 3CP 0.488 0.781609
166 HGG 0.488 0.781609
167 2KQ 0.488 0.764045
168 COF 0.488 0.764045
169 BYC 0.488 0.781609
170 IRC 0.488 0.790698
171 1GZ 0.488 0.772727
172 Y3J 0.486842 0.722222
173 B5Y 0.485149 0.893333
174 FA5 0.485149 0.905405
175 1ZZ 0.484848 0.8375
176 AHX 0.484536 0.87013
177 DAL AMP 0.484211 0.90411
178 4CA 0.484127 0.772727
179 FAQ 0.484127 0.781609
180 BCA 0.484127 0.772727
181 AV2 0.483871 0.916667
182 DAT 0.483146 0.90411
183 5X8 0.483146 0.76
184 5AS 0.482759 0.776471
185 APC G U 0.482456 0.857143
186 ANZ 0.480769 0.820513
187 3AD 0.480519 0.828571
188 GRA 0.480315 0.781609
189 HXC 0.480315 0.764045
190 3AT 0.478261 0.971429
191 A3S 0.477273 0.783784
192 TGC 0.476562 0.772727
193 9SN 0.475248 0.87013
194 LAD 0.474747 0.858974
195 PR8 0.474747 0.848101
196 S0N 0.472868 0.781609
197 2NE 0.472868 0.764045
198 CIC 0.472868 0.781609
199 CCQ 0.472868 0.747253
200 1CZ 0.472868 0.772727
201 CO8 0.472868 0.764045
202 A5D 0.472527 0.783784
203 DSH 0.470588 0.721519
204 YAP 0.470588 0.893333
205 B5M 0.470588 0.893333
206 NB8 0.47 0.87013
207 TXA 0.47 0.905405
208 ME8 0.47 0.8375
209 BIS 0.47 0.906667
210 0FQ 0.469231 0.781609
211 4CO 0.469231 0.772727
212 DCC 0.469231 0.764045
213 UCC 0.469231 0.764045
214 MYA 0.469231 0.764045
215 MFK 0.469231 0.764045
216 5F9 0.469231 0.764045
217 ST9 0.469231 0.764045
218 A3T 0.466667 0.794521
219 U A A U 0.466667 0.906667
220 01A 0.465649 0.747253
221 0ET 0.465649 0.764045
222 TM1 0.465347 0.792683
223 AS 0.465116 0.855263
224 IMO 0.465116 0.928571
225 J7C 0.465116 0.766234
226 PO4 PO4 A A A A PO4 0.464646 0.928571
227 ZAS 0.464286 0.763158
228 DTP 0.462366 0.90411
229 DQV 0.462264 0.930556
230 CS8 0.462121 0.755556
231 WCA 0.462121 0.764045
232 1CV 0.462121 0.781609
233 4UV 0.461538 0.893333
234 NJP 0.460177 0.918919
235 S4M 0.45977 0.662791
236 HDC 0.458647 0.764045
237 NHW 0.458647 0.764045
238 4KX 0.458647 0.755556
239 NHM 0.458647 0.764045
240 UOQ 0.458647 0.764045
241 LAQ 0.457944 0.8375
242 JB6 0.455446 0.881579
243 NPW 0.455357 0.860759
244 NDP 0.455357 0.894737
245 HFQ 0.455224 0.764045
246 MRR 0.455224 0.764045
247 MRS 0.455224 0.764045
248 MAO 0.454545 0.756098
249 UPA 0.454545 0.881579
250 GGZ 0.453608 0.822785
251 NEC 0.453488 0.72
252 4UU 0.45283 0.893333
253 AFH 0.45283 0.858974
254 NHQ 0.452555 0.790698
255 XAH 0.451923 0.8375
256 YNC 0.451852 0.772727
257 DAK 0.451852 0.755556
258 G5A 0.451613 0.776471
259 SAH 0.451613 0.74026
260 MYR AMP 0.45098 0.814815
261 SFG 0.450549 0.746667
262 2VA 0.450549 0.773333
263 4UW 0.449541 0.858974
264 8Z2 0.448529 0.755556
265 A3N 0.448276 0.76
266 A U C C 0.448 0.846154
267 V1N 0.447619 0.916667
268 AMP DBH 0.447619 0.866667
269 TYR AMP 0.447619 0.868421
270 103 0.447059 0.861111
271 ACK 0.447059 0.885714
272 QQY 0.447059 0.837838
273 3NZ 0.445545 0.75641
274 TYM 0.445455 0.905405
275 A G U 0.445312 0.8375
276 A7D 0.444444 0.773333
277 XNP 0.443478 0.871795
278 G3A 0.443396 0.894737
279 GJV 0.443182 0.746835
280 9K8 0.441176 0.711111
281 SA8 0.44086 0.703704
282 NVA 2AD 0.44086 0.734177
283 YLP 0.440367 0.817073
284 48N 0.440367 0.87013
285 WMP 0.439655 0.864865
286 AR6 AR6 0.439252 0.916667
287 G5P 0.439252 0.894737
288 GA7 0.439252 0.88
289 D3Y 0.438776 0.763158
290 G3D 0.438776 0.905405
291 TSB 0.438776 0.795181
292 NZQ 0.438596 0.883117
293 TXP 0.438596 0.894737
294 ZZB 0.438596 0.792683
295 A5A 0.4375 0.804878
296 DND 0.436364 0.905405
297 NXX 0.436364 0.905405
298 NAX 0.436364 0.848101
299 NAI 0.436364 0.881579
300 UP5 0.436364 0.893333
301 VRT 0.43617 0.74359
302 SO8 0.43617 0.763158
303 SAI 0.43617 0.730769
304 1HA 0.435714 0.764045
305 A6D 0.435644 0.719512
306 QQX 0.435294 0.826667
307 GTA 0.435185 0.860759
308 TAD 0.435185 0.858974
309 ODP 0.434783 0.883117
310 SSA 0.43299 0.776471
311 SMM 0.43299 0.682353
312 01K 0.432624 0.781609
313 OMR 0.432432 0.82716
314 DDS 0.431579 0.876712
315 139 0.429825 0.848101
316 COT 0.429577 0.781609
317 F8G 0.429577 0.731183
318 A G U U 0.428571 0.8375
319 54H 0.428571 0.785714
320 52H 0.428571 0.776471
321 CC5 0.428571 0.814286
322 AP0 0.428571 0.87013
323 4TC 0.428571 0.87013
324 VMS 0.428571 0.785714
325 DZD 0.42735 0.858974
326 LPA AMP 0.427273 0.814815
327 EEM 0.427083 0.686747
328 AAT 0.427083 0.703704
329 ARG AMP 0.425926 0.82716
330 7MD 0.425926 0.8375
331 3L1 0.425 0.77027
332 3D1 0.425 0.77027
333 53H 0.424242 0.776471
334 5CA 0.424242 0.776471
335 8X1 0.424242 0.75
336 MHZ 0.423913 0.694118
337 CA3 0.423611 0.781609
338 TXD 0.423423 0.881579
339 6V0 0.423423 0.87013
340 1DG 0.422764 0.894737
341 DG1 0.422764 0.894737
342 TAP 0.422764 0.906667
343 38Y 0.422414 0.804878
344 IOT 0.421053 0.829268
345 U A 0.420168 0.906667
346 TXE 0.419643 0.881579
347 S7M 0.418367 0.686747
348 AHZ 0.418182 0.814815
349 P5A 0.417476 0.741573
350 T5A 0.417391 0.817073
351 SAM 0.416667 0.686747
352 YLC 0.415929 0.8375
353 YLB 0.415929 0.817073
354 F0P 0.415929 0.725
355 7MC 0.415929 0.817073
356 CPA 0.415929 0.825
357 DSZ 0.415842 0.776471
358 NSS 0.415842 0.776471
359 LSS 0.415842 0.758621
360 AAM 0.41573 0.971014
361 8PZ 0.415094 0.776471
362 NAP 0.414634 0.944444
363 SP1 0.413793 0.864865
364 RP1 0.413793 0.864865
365 CNA 0.413793 0.905405
366 A4P 0.412281 0.819277
367 NVA LMS 0.411765 0.75
368 YSA 0.411215 0.776471
369 8BR 0.411111 0.905405
370 F2R 0.410256 0.839506
371 5J9 0.409524 0.728395
372 CA5 0.409396 0.747253
373 ITT 0.408602 0.915493
374 NA0 0.408 0.931507
375 LEU LMS 0.407767 0.75
376 HMG 0.407407 0.75
377 AF3 ADP 3PG 0.40708 0.835443
378 NAD 0.40678 0.930556
379 COD 0.40678 0.788235
380 93P 0.406667 0.772727
381 UCA 0.406667 0.764045
382 CMP 0.406593 0.927536
383 71V 0.406593 0.881579
384 2BA 0.406593 0.942029
385 6C6 0.40625 0.88
386 GEK 0.405941 0.734177
387 12D 0.405405 0.783133
388 ADJ 0.405172 0.82716
389 YLA 0.405172 0.817073
390 KAA 0.403846 0.75
391 GSU 0.403846 0.776471
392 BT5 0.403361 0.829268
393 3GP 0.402174 0.891892
394 6IA 0.402062 0.835443
395 0UM 0.401961 0.695122
396 AYB 0.401709 0.807229
397 M24 0.401639 0.848101
398 PLM COA 0.40146 0.733333
399 COA PLM 0.40146 0.733333
400 80F 0.4 0.817073
401 J7V 0.4 0.809524
402 A3D 0.4 0.917808
Ligand no: 2; Ligand: PLO; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 PLO 1 1
2 HC9 0.529412 0.868421
3 CLR 0.529412 0.864865
4 HC3 0.523256 0.846154
5 AND 0.52 1
6 HCD 0.505747 0.846154
7 HC2 0.505747 0.846154
8 2DC 0.5 0.804878
9 0T9 0.478723 0.894737
10 L39 0.473684 0.85
11 STR 0.433735 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Q20; Ligand: PLO; Similar sites found with APoc: 356
This union binding pocket(no: 1) in the query (biounit: 1q20.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 6B4K ANP 1.00334
2 3ITJ CIT 1.33779
3 4LJ9 ACP 1.47493
4 2CJW GDP 1.5625
5 4FCW ADP 1.60772
6 3AQ4 GDP 1.63043
7 1RRC ADP 1.67224
8 1DAR GDP 1.67224
9 5Y6N ADP 1.67224
10 5ZBR ANP 1.67224
11 6DEF GCP 1.67224
12 6BSX GDP 1.68539
13 2HT6 GDP 1.72414
14 2IYL GDP 1.76056
15 1PUJ GNP 1.77305
16 1RE0 GDP 1.82927
17 3N5C GDP 1.85185
18 1M7G AV2 1.89573
19 3DEF GDP 1.9084
20 1BG2 ADP 2.00669
21 2AWN ADP 2.00669
22 5KSZ GCP 2.00669
23 1G6O ADP 2.00669
24 5U97 PIT 2.00669
25 5CK5 GDP 2.00669
26 3NHB ADP 2.00669
27 6F5W KG1 2.00669
28 2ZFI ADP 2.00669
29 2WPW ACO 2.00669
30 3ZFD ANP 2.00669
31 3EC1 GDP 2.00669
32 2VDY HCY 2.00669
33 2WPX ACO 2.00669
34 1SVI GDP 2.05128
35 2PZE ATP 2.18341
36 1GXU 2HP 2.1978
37 4NON GDP 2.30769
38 3Q9L ATP 2.30769
39 2Y65 ADP 2.34114
40 5LB3 ADP 2.34114
41 1KK1 GNP 2.34114
42 2GKS ADP 2.34114
43 2OG2 MLI 2.34114
44 3B9Q MLI 2.34114
45 2GK6 ADP 2.34114
46 3LRE ADP 2.34114
47 5H7J GCP 2.34114
48 5H7K GDP 2.34114
49 1SQ5 ADP 2.34114
50 3EZ2 ADP 2.34114
51 5FTB ANP 2.34114
52 5L3W GDP 2.34114
53 3FWY ADP 2.34114
54 2JGV ADP 2.34114
55 1NJF AGS 2.4
56 3BER AMP 2.40964
57 3B8I OXL 2.43902
58 3W5J GDP 2.45098
59 1ION ADP 2.46914
60 1XX6 ADP 2.6178
61 1U0J ADP 2.62172
62 2EFE GNH 2.62172
63 3IUY AMP 2.63158
64 5W7Q GDP 2.67559
65 6A20 ADP 2.67559
66 2FAH GDP 2.67559
67 3E70 GDP 2.67559
68 3MD0 GDP 2.67559
69 1Q19 SSC 2.67559
70 1V8K ANP 2.67559
71 4HSE ADP 2.67559
72 4YJ1 ADP 2.67559
73 3TTM PUT 2.67559
74 1K6M AGS 2.67559
75 5WC2 ADP 2.67559
76 5XDR ADP 2.67559
77 3A1S GDP 2.71318
78 4V03 ADP 2.72374
79 6AIC AMP 2.80374
80 1S8F GDP 2.82486
81 4KFU ACP 2.83019
82 4BQS ADP 2.84091
83 3DKP ADP 2.85714
84 4U00 ADP 2.86885
85 1TKU 5RP 2.94118
86 2PL3 ADP 2.9661
87 1T5C ADP 3.01003
88 2VVG ADP 3.01003
89 3TK1 GDP 3.01003
90 1MKY GDP 3.01003
91 2NCD ADP 3.01003
92 1YQT ADP 3.01003
93 2DPY ADP 3.01003
94 4LYA ATP 3.01003
95 5IFS ADP 3.01003
96 3VOZ 04A 3.01003
97 1XKV ATP 3.01003
98 4WZ6 ATP 3.10345
99 2V5K OXM 3.13589
100 3CPJ GDP 3.13901
101 2A5J GDP 3.14136
102 5KSP GDP 3.15789
103 3T5G GDP 3.28947
104 1D2N ANP 3.30882
105 3BFV ADP 3.32103
106 5WRJ A3P 3.34448
107 4KBF AMP 3.34448
108 2WHX ADP 3.34448
109 5ZXD ATP 3.34448
110 5M04 GDP 3.34448
111 5WRI A3P 3.34448
112 1OYY AGS 3.34448
113 2C9O ADP 3.34448
114 4XTR ADP 3.34448
115 4XVU ATP 3.34448
116 4XTR ATP 3.34448
117 5HR5 ADP 3.38983
118 1YRB GDP 3.43511
119 1Z0A GDP 3.44828
120 1RYH GNP 3.44828
121 1FP6 ADP 3.46021
122 3A4M ADP 3.46154
123 4B5W PYR 3.51562
124 1EK0 GNP 3.52941
125 1I4D GDP 3.64583
126 2XT3 ADP 3.67893
127 1SKQ GDP 3.67893
128 2QEN ADP 3.67893
129 2CE7 ADP 3.67893
130 4LPS GDP 3.71901
131 2WJG GDP 3.7234
132 1G4U GDP 3.80435
133 1Z0F GDP 3.91061
134 1S9D GDP 3.94089
135 2ZTS ADP 3.98406
136 4PPF FLC 4.01338
137 2HCJ GDP 4.01338
138 1D2E GDP 4.01338
139 5YT0 GDP 4.01338
140 5W76 GDP 4.01338
141 5FG3 GDP 4.01338
142 2FNA ADP 4.01338
143 3DC4 ADP 4.01338
144 1VBH PEP 4.01338
145 5I34 GDP 4.01338
146 6G14 G4P 4.08163
147 4YMU ATP 4.09091
148 1G16 GDP 4.11765
149 3BOS CDP 4.13223
150 1YVD GNP 4.14201
151 1JI0 ATP 4.16667
152 4CVN ADP 4.18848
153 1B0U ATP 4.19847
154 2WJH GDP 4.21687
155 2X77 GDP 4.2328
156 2J0V GDP 4.24528
157 2A9K GDP 4.27807
158 5LV1 78T 4.28571
159 2ZR9 DTP 4.34783
160 1GOJ ADP 4.34783
161 4B47 GDP 4.34783
162 5L3V GDP 4.34783
163 1VG0 GDP 4.34783
164 1R6B ADP 4.34783
165 2B8W ALF 5GP 4.34783
166 1UJ2 C5P 4.36508
167 2D2F ADP 4.4
168 2CHG ANP 4.42478
169 4JLV ADP 4.46097
170 4YLG GDP 4.62428
171 5TSH ADP 4.68227
172 3U6B GDP 4.68227
173 5JBQ GDP 4.68227
174 1D8T GDP 4.68227
175 4G5G GDP 4.68227
176 3U6K GDP 4.68227
177 3P4X ADP 4.68227
178 5W75 GDP 4.68227
179 5TSH ANP 4.68227
180 4A4Z ANP 4.68227
181 3EWA ANP 4.68227
182 2BVN GNP 4.68227
183 3Q85 GNP 4.73373
184 3VX3 ADP 4.83871
185 1VG9 GDP 4.86486
186 1VG1 GDP 4.86486
187 5G3Y ADP 4.86726
188 2QZ4 ADP 4.96183
189 5O74 GDP 5
190 4DCT GDP 5.01672
191 5IRN ADP 5.01672
192 4IEE AGS 5.01672
193 1YZG GDP 5.02793
194 1G6H ADP 5.05837
195 2CBZ ATP 5.06329
196 4TTQ ATP 5.11628
197 2BCG GDP 5.33981
198 3WY9 GDP 5.35117
199 1F9V ADP 5.35117
200 4AG5 ADP 5.35117
201 3WYA GDP 5.35117
202 1JJ7 ADP 5.38462
203 1QHG ATP 5.38674
204 1G3Q ADP 5.48523
205 1DS6 GDP 5.55556
206 5NM7 GLY 5.6391
207 3COB ADP 5.68562
208 4J0Q GDP 5.68562
209 3TBK ANP 5.68562
210 5MZN ADP 5.68562
211 1FNN ADP 5.68562
212 4YDS ATP 5.70175
213 5HCN GCP 5.74713
214 1TU3 GNP 5.84795
215 5TB5 GDP 5.94595
216 5TAR GDP 5.94595
217 3UIE ANP 6
218 4PJ3 ANP 6.02007
219 2IS6 ADP 6.02007
220 2OBM ADP 6.02007
221 4LC1 GDP 6.02007
222 2RCN GDP 6.02007
223 1FZQ GDP 6.07735
224 2OFW ADX 6.25
225 5YV5 ADP 6.35452
226 4FBL SPD 6.40569
227 2XOC ADE 6.51341
228 5E95 GDP 6.54762
229 5WLB GNP 6.62651
230 3KUD GDP 6.62651
231 1WQ1 GDP 6.62651
232 1INN MET 6.62651
233 3IIJ ADP 6.66667
234 1KC7 PPR 6.68896
235 2CDN ADP 6.68896
236 3LJU IP9 6.68896
237 4U5X GNP 6.74157
238 1JJV ATP 6.79612
239 2RI1 GLP 6.80851
240 3CNL GNP 6.87023
241 1ZD9 GDP 6.91489
242 4DKX GDP 6.94444
243 1ZJ6 G3D 6.95187
244 3B7G ANP 6.95652
245 2KIN ADP 7
246 5VGR GDP 7.02341
247 1G7S GDP 7.02341
248 5IRR GSP 7.02341
249 3JUC PCA 7.18954
250 4DID GDP 7.25389
251 2PEZ DAT 7.26257
252 4E03 ADP 7.28155
253 4ZNL BEF ADP 7.29927
254 2NGR GDP 7.32984
255 1GRN GDP 7.32984
256 4ITR GDP 7.32984
257 1A4R GDP 7.32984
258 1A4R GNH 7.32984
259 4IHQ ADP 7.35786
260 5BN3 ADP 7.35786
261 1H65 GDP 7.40741
262 3BD9 A3P 7.5
263 4QM7 GTP 7.60234
264 5OEC GDP 7.65027
265 2D7D ADP 7.69231
266 2FSH ANP 7.69231
267 4P4T GDP 7.69231
268 3GJ3 GDP 7.69231
269 3GJ0 GDP 7.69231
270 3GJ4 GDP 7.69231
271 3IO3 ADP 7.69231
272 3GJ5 GDP 7.69231
273 1W5T ADP 7.69231
274 5LEF GTP 7.8534
275 3CH5 GDP 7.87037
276 5KUT GDP 7.93651
277 1D5C GDP 8.02469
278 4M3P HCS 8.02676
279 5U32 GDP 8.05085
280 1VKJ A3P 8.07018
281 2G77 GDP 8.08081
282 1KY3 GDP 8.24176
283 3KJI ADP 8.26772
284 4QOS ADP 8.30189
285 2GDJ ANP 8.33333
286 1ZRH A3P 8.39416
287 3BIB PSF 8.62069
288 5BXQ GDP 8.66142
289 1OXV ANP 8.69565
290 5LTJ ADP 8.69565
291 5GVR LMR 8.97436
292 1KAO GDP 8.98204
293 3B5J 12D 9.0535
294 3PQC GDP 9.23077
295 4FRZ ADP 9.36455
296 3H4S ADP 9.36455
297 4R43 GDP 9.36455
298 1F6B GDP 9.59596
299 3Q72 GNP 9.63855
300 1R0X ATP 9.79021
301 2W58 ADP 9.90099
302 2V7Q ATP 9.92647
303 2CK3 ANP 9.92647
304 1W0J ADP 9.92647
305 2V7Q ADP 9.92647
306 5BQ5 ADP BEF 10.0529
307 2XKO AKG 10.1124
308 3ZIA ADP 10.3679
309 3ZIA ATP 10.3679
310 2O0J ADP 10.3679
311 1ZOY UQ1 10.3679
312 5E5U MLI 10.6061
313 4PX9 ADP 10.6164
314 2VWT PYR 10.8614
315 2GCO GNP 10.9453
316 4PYA 2X3 11.1801
317 4YS0 ADP 11.3712
318 4D0G GTP 11.5942
319 1HE1 GDP 11.8519
320 1OW3 GDP 11.9171
321 1XMV ADP 12.0401
322 5EXT ADP 12.0401
323 1LVG ADP 12.1212
324 3GJ7 GDP 12.2449
325 5IRC GDP 12.3656
326 2I4I AMP 12.3746
327 1KGZ PRP 12.3746
328 3LXR GDP 12.4324
329 5HPY GDP 12.4324
330 4D0N GDP 12.4324
331 1HTW ADP 12.6582
332 4PC3 GDP 12.766
333 4XSH GSP 12.8492
334 4R98 GNH 12.9151
335 1NST A3P 13.0435
336 2WIC GNP 13.1086
337 3QDK QDK 13.3779
338 1VHT BA3 14.2202
339 1Z0K GTP 14.4928
340 5MVR ADP 15.4321
341 4R2I ANP 15.7143
342 1Y63 ADP 15.7609
343 3DZD ADP 16.388
344 5JCZ GDP 16.7598
345 4H1V GNP 18.0602
346 3T1O GDP 18.1818
347 5GOE GDP 18.7291
348 1XP8 AGS 19.7324
349 3GJ8 GDP 20.6522
350 4P3Y GDP 21.4286
351 1QHH ATP 23.0769
352 2QN6 GDP 27.7778
353 3MGB PAP 28.0936
354 5MEX PAP 39.4649
355 5MEX SZZ 39.4649
356 6C90 ADP 40.3846
Pocket No.: 2; Query (leader) PDB : 1Q20; Ligand: A3P; Similar sites found with APoc: 356
This union binding pocket(no: 2) in the query (biounit: 1q20.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 6B4K ANP 1.00334
2 3ITJ CIT 1.33779
3 4LJ9 ACP 1.47493
4 2CJW GDP 1.5625
5 4FCW ADP 1.60772
6 3AQ4 GDP 1.63043
7 1RRC ADP 1.67224
8 1DAR GDP 1.67224
9 5Y6N ADP 1.67224
10 5ZBR ANP 1.67224
11 6DEF GCP 1.67224
12 6BSX GDP 1.68539
13 2HT6 GDP 1.72414
14 2IYL GDP 1.76056
15 1PUJ GNP 1.77305
16 1RE0 GDP 1.82927
17 3N5C GDP 1.85185
18 1M7G AV2 1.89573
19 3DEF GDP 1.9084
20 1BG2 ADP 2.00669
21 2AWN ADP 2.00669
22 5KSZ GCP 2.00669
23 1G6O ADP 2.00669
24 5U97 PIT 2.00669
25 5CK5 GDP 2.00669
26 3NHB ADP 2.00669
27 6F5W KG1 2.00669
28 2ZFI ADP 2.00669
29 2WPW ACO 2.00669
30 3ZFD ANP 2.00669
31 3EC1 GDP 2.00669
32 2VDY HCY 2.00669
33 2WPX ACO 2.00669
34 1SVI GDP 2.05128
35 2PZE ATP 2.18341
36 1GXU 2HP 2.1978
37 4NON GDP 2.30769
38 3Q9L ATP 2.30769
39 2Y65 ADP 2.34114
40 5LB3 ADP 2.34114
41 1KK1 GNP 2.34114
42 2GKS ADP 2.34114
43 2OG2 MLI 2.34114
44 3B9Q MLI 2.34114
45 2GK6 ADP 2.34114
46 3LRE ADP 2.34114
47 5H7J GCP 2.34114
48 5H7K GDP 2.34114
49 1SQ5 ADP 2.34114
50 3EZ2 ADP 2.34114
51 5FTB ANP 2.34114
52 5L3W GDP 2.34114
53 3FWY ADP 2.34114
54 2JGV ADP 2.34114
55 1NJF AGS 2.4
56 3BER AMP 2.40964
57 3B8I OXL 2.43902
58 3W5J GDP 2.45098
59 1ION ADP 2.46914
60 1XX6 ADP 2.6178
61 1U0J ADP 2.62172
62 2EFE GNH 2.62172
63 3IUY AMP 2.63158
64 5W7Q GDP 2.67559
65 6A20 ADP 2.67559
66 2FAH GDP 2.67559
67 3E70 GDP 2.67559
68 3MD0 GDP 2.67559
69 1Q19 SSC 2.67559
70 1V8K ANP 2.67559
71 4HSE ADP 2.67559
72 4YJ1 ADP 2.67559
73 3TTM PUT 2.67559
74 1K6M AGS 2.67559
75 5WC2 ADP 2.67559
76 5XDR ADP 2.67559
77 3A1S GDP 2.71318
78 4V03 ADP 2.72374
79 6AIC AMP 2.80374
80 1S8F GDP 2.82486
81 4KFU ACP 2.83019
82 4BQS ADP 2.84091
83 3DKP ADP 2.85714
84 4U00 ADP 2.86885
85 1TKU 5RP 2.94118
86 2PL3 ADP 2.9661
87 1T5C ADP 3.01003
88 2VVG ADP 3.01003
89 3TK1 GDP 3.01003
90 1MKY GDP 3.01003
91 2NCD ADP 3.01003
92 1YQT ADP 3.01003
93 2DPY ADP 3.01003
94 4LYA ATP 3.01003
95 5IFS ADP 3.01003
96 3VOZ 04A 3.01003
97 1XKV ATP 3.01003
98 4WZ6 ATP 3.10345
99 2V5K OXM 3.13589
100 3CPJ GDP 3.13901
101 2A5J GDP 3.14136
102 5KSP GDP 3.15789
103 3T5G GDP 3.28947
104 1D2N ANP 3.30882
105 3BFV ADP 3.32103
106 5WRJ A3P 3.34448
107 4KBF AMP 3.34448
108 2WHX ADP 3.34448
109 5ZXD ATP 3.34448
110 5M04 GDP 3.34448
111 5WRI A3P 3.34448
112 1OYY AGS 3.34448
113 2C9O ADP 3.34448
114 4XTR ADP 3.34448
115 4XVU ATP 3.34448
116 4XTR ATP 3.34448
117 5HR5 ADP 3.38983
118 1YRB GDP 3.43511
119 1Z0A GDP 3.44828
120 1RYH GNP 3.44828
121 1FP6 ADP 3.46021
122 3A4M ADP 3.46154
123 4B5W PYR 3.51562
124 1EK0 GNP 3.52941
125 1I4D GDP 3.64583
126 2XT3 ADP 3.67893
127 1SKQ GDP 3.67893
128 2QEN ADP 3.67893
129 2CE7 ADP 3.67893
130 4LPS GDP 3.71901
131 2WJG GDP 3.7234
132 1G4U GDP 3.80435
133 1Z0F GDP 3.91061
134 1S9D GDP 3.94089
135 2ZTS ADP 3.98406
136 4PPF FLC 4.01338
137 2HCJ GDP 4.01338
138 1D2E GDP 4.01338
139 5YT0 GDP 4.01338
140 5W76 GDP 4.01338
141 5FG3 GDP 4.01338
142 2FNA ADP 4.01338
143 3DC4 ADP 4.01338
144 1VBH PEP 4.01338
145 5I34 GDP 4.01338
146 6G14 G4P 4.08163
147 4YMU ATP 4.09091
148 1G16 GDP 4.11765
149 3BOS CDP 4.13223
150 1YVD GNP 4.14201
151 1JI0 ATP 4.16667
152 4CVN ADP 4.18848
153 1B0U ATP 4.19847
154 2WJH GDP 4.21687
155 2X77 GDP 4.2328
156 2J0V GDP 4.24528
157 2A9K GDP 4.27807
158 5LV1 78T 4.28571
159 2ZR9 DTP 4.34783
160 1GOJ ADP 4.34783
161 4B47 GDP 4.34783
162 5L3V GDP 4.34783
163 1VG0 GDP 4.34783
164 1R6B ADP 4.34783
165 2B8W ALF 5GP 4.34783
166 1UJ2 C5P 4.36508
167 2D2F ADP 4.4
168 2CHG ANP 4.42478
169 4JLV ADP 4.46097
170 4YLG GDP 4.62428
171 5TSH ADP 4.68227
172 3U6B GDP 4.68227
173 5JBQ GDP 4.68227
174 1D8T GDP 4.68227
175 4G5G GDP 4.68227
176 3U6K GDP 4.68227
177 3P4X ADP 4.68227
178 5W75 GDP 4.68227
179 5TSH ANP 4.68227
180 4A4Z ANP 4.68227
181 3EWA ANP 4.68227
182 2BVN GNP 4.68227
183 3Q85 GNP 4.73373
184 3VX3 ADP 4.83871
185 1VG9 GDP 4.86486
186 1VG1 GDP 4.86486
187 5G3Y ADP 4.86726
188 2QZ4 ADP 4.96183
189 5O74 GDP 5
190 4DCT GDP 5.01672
191 5IRN ADP 5.01672
192 4IEE AGS 5.01672
193 1YZG GDP 5.02793
194 1G6H ADP 5.05837
195 2CBZ ATP 5.06329
196 4TTQ ATP 5.11628
197 2BCG GDP 5.33981
198 3WY9 GDP 5.35117
199 1F9V ADP 5.35117
200 4AG5 ADP 5.35117
201 3WYA GDP 5.35117
202 1JJ7 ADP 5.38462
203 1QHG ATP 5.38674
204 1G3Q ADP 5.48523
205 1DS6 GDP 5.55556
206 5NM7 GLY 5.6391
207 3COB ADP 5.68562
208 4J0Q GDP 5.68562
209 3TBK ANP 5.68562
210 5MZN ADP 5.68562
211 1FNN ADP 5.68562
212 4YDS ATP 5.70175
213 5HCN GCP 5.74713
214 1TU3 GNP 5.84795
215 5TB5 GDP 5.94595
216 5TAR GDP 5.94595
217 3UIE ANP 6
218 4PJ3 ANP 6.02007
219 2IS6 ADP 6.02007
220 2OBM ADP 6.02007
221 4LC1 GDP 6.02007
222 2RCN GDP 6.02007
223 1FZQ GDP 6.07735
224 2OFW ADX 6.25
225 5YV5 ADP 6.35452
226 4FBL SPD 6.40569
227 2XOC ADE 6.51341
228 5E95 GDP 6.54762
229 5WLB GNP 6.62651
230 3KUD GDP 6.62651
231 1WQ1 GDP 6.62651
232 1INN MET 6.62651
233 3IIJ ADP 6.66667
234 1KC7 PPR 6.68896
235 2CDN ADP 6.68896
236 3LJU IP9 6.68896
237 4U5X GNP 6.74157
238 1JJV ATP 6.79612
239 2RI1 GLP 6.80851
240 3CNL GNP 6.87023
241 1ZD9 GDP 6.91489
242 4DKX GDP 6.94444
243 1ZJ6 G3D 6.95187
244 3B7G ANP 6.95652
245 2KIN ADP 7
246 5VGR GDP 7.02341
247 1G7S GDP 7.02341
248 5IRR GSP 7.02341
249 3JUC PCA 7.18954
250 4DID GDP 7.25389
251 2PEZ DAT 7.26257
252 4E03 ADP 7.28155
253 4ZNL BEF ADP 7.29927
254 2NGR GDP 7.32984
255 1GRN GDP 7.32984
256 4ITR GDP 7.32984
257 1A4R GDP 7.32984
258 1A4R GNH 7.32984
259 4IHQ ADP 7.35786
260 5BN3 ADP 7.35786
261 1H65 GDP 7.40741
262 3BD9 A3P 7.5
263 4QM7 GTP 7.60234
264 5OEC GDP 7.65027
265 2D7D ADP 7.69231
266 2FSH ANP 7.69231
267 4P4T GDP 7.69231
268 3GJ3 GDP 7.69231
269 3GJ0 GDP 7.69231
270 3GJ4 GDP 7.69231
271 3IO3 ADP 7.69231
272 3GJ5 GDP 7.69231
273 1W5T ADP 7.69231
274 5LEF GTP 7.8534
275 3CH5 GDP 7.87037
276 5KUT GDP 7.93651
277 1D5C GDP 8.02469
278 4M3P HCS 8.02676
279 5U32 GDP 8.05085
280 1VKJ A3P 8.07018
281 2G77 GDP 8.08081
282 1KY3 GDP 8.24176
283 3KJI ADP 8.26772
284 4QOS ADP 8.30189
285 2GDJ ANP 8.33333
286 1ZRH A3P 8.39416
287 3BIB PSF 8.62069
288 5BXQ GDP 8.66142
289 1OXV ANP 8.69565
290 5LTJ ADP 8.69565
291 5GVR LMR 8.97436
292 1KAO GDP 8.98204
293 3B5J 12D 9.0535
294 3PQC GDP 9.23077
295 4FRZ ADP 9.36455
296 3H4S ADP 9.36455
297 4R43 GDP 9.36455
298 1F6B GDP 9.59596
299 3Q72 GNP 9.63855
300 1R0X ATP 9.79021
301 2W58 ADP 9.90099
302 2V7Q ATP 9.92647
303 2CK3 ANP 9.92647
304 1W0J ADP 9.92647
305 2V7Q ADP 9.92647
306 5BQ5 ADP BEF 10.0529
307 2XKO AKG 10.1124
308 3ZIA ADP 10.3679
309 3ZIA ATP 10.3679
310 2O0J ADP 10.3679
311 1ZOY UQ1 10.3679
312 5E5U MLI 10.6061
313 4PX9 ADP 10.6164
314 2VWT PYR 10.8614
315 2GCO GNP 10.9453
316 4PYA 2X3 11.1801
317 4YS0 ADP 11.3712
318 4D0G GTP 11.5942
319 1HE1 GDP 11.8519
320 1OW3 GDP 11.9171
321 1XMV ADP 12.0401
322 5EXT ADP 12.0401
323 1LVG ADP 12.1212
324 3GJ7 GDP 12.2449
325 5IRC GDP 12.3656
326 2I4I AMP 12.3746
327 1KGZ PRP 12.3746
328 3LXR GDP 12.4324
329 5HPY GDP 12.4324
330 4D0N GDP 12.4324
331 1HTW ADP 12.6582
332 4PC3 GDP 12.766
333 4XSH GSP 12.8492
334 4R98 GNH 12.9151
335 1NST A3P 13.0435
336 2WIC GNP 13.1086
337 3QDK QDK 13.3779
338 1VHT BA3 14.2202
339 1Z0K GTP 14.4928
340 5MVR ADP 15.4321
341 4R2I ANP 15.7143
342 1Y63 ADP 15.7609
343 3DZD ADP 16.388
344 5JCZ GDP 16.7598
345 4H1V GNP 18.0602
346 3T1O GDP 18.1818
347 5GOE GDP 18.7291
348 1XP8 AGS 19.7324
349 3GJ8 GDP 20.6522
350 4P3Y GDP 21.4286
351 1QHH ATP 23.0769
352 2QN6 GDP 27.7778
353 3MGB PAP 28.0936
354 5MEX PAP 39.4649
355 5MEX SZZ 39.4649
356 6C90 ADP 40.3846
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