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Receptor
PDB id Resolution Class Description Source Keywords
5WRJ 2.31 Å EC: 2.8.2.20 CRYSTAL STRUCTURE OF HUMAN TYROSYLPROTEIN SULFOTRANSFERASE-1 WITH PAP AND GASTRIN PEPTIDE HOMO SAPIENS TRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE BROAD SUBSTRATE SPECIFICIT HUMAN TYROSYLPROTEIN SULFOTRANSFERASE-1. SCI REP V. 7 8776 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A3P B:401;
C:401;
A:401;
D:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:402;
D:402;
B:402;
C:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
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
5WRJ 2.31 Å EC: 2.8.2.20 CRYSTAL STRUCTURE OF HUMAN TYROSYLPROTEIN SULFOTRANSFERASE-1 WITH PAP AND GASTRIN PEPTIDE HOMO SAPIENS TRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE BROAD SUBSTRATE SPECIFICIT HUMAN TYROSYLPROTEIN SULFOTRANSFERASE-1. SCI REP V. 7 8776 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5WRJ - A3P C10 H15 N5 O10 P2 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 2 families.
1 5WRJ - A3P C10 H15 N5 O10 P2 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 2 families.
1 5WRJ - 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5WRJ; Ligand: A3P; Similar sites found with APoc: 459
This union binding pocket(no: 1) in the query (biounit: 5wrj.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2PEZ DAT None
2 1OYF MHN None
3 4LHW GNP None
4 1MKY GDP 0.990099
5 3W9F I3P 1.15385
6 2RCN GDP 1.32013
7 6B4K ANP 1.32013
8 1XMV ADP 1.65016
9 2ZJ5 ADP 1.65016
10 5IRN ADP 1.65016
11 5UIV ADP 1.76211
12 3Q72 GNP 1.80723
13 1M7G AV2 1.89573
14 1M7G ADX 1.89573
15 1Q19 SSC 1.9802
16 4PPF FLC 1.9802
17 2ZR9 DTP 1.9802
18 3DC4 ADP 1.9802
19 2IS6 ADP 1.9802
20 4IHQ ADP 1.9802
21 6DEF GCP 1.9802
22 2I4O ATP 1.9802
23 2I4I AMP 1.9802
24 2JK0 ASP 1.9802
25 3TNF GNP 1.9802
26 5L3V GDP 2.00669
27 5A96 GTP 2.00803
28 1PUJ GNP 2.12766
29 2XTN GTP 2.13675
30 1DAK DPU 2.23214
31 1DAK ADP 2.23214
32 3GJ4 GDP 2.26244
33 3GJ5 GDP 2.26244
34 3GJ8 GDP 2.26244
35 3DEF GDP 2.29008
36 2NCD ADP 2.31023
37 4FRZ ADP 2.31023
38 1SKQ GDP 2.31023
39 4LJ9 ACP 2.31023
40 3RC3 ANP 2.31023
41 4FCW ADP 2.31023
42 1GP2 GDP 2.31023
43 2OM2 GDP 2.31023
44 2B8W ALF 5GP 2.31023
45 1SVK ALF GDP 2.31023
46 1GOT GDP 2.31023
47 5KDO GDP 2.31023
48 6CRK GDP 2.31023
49 1Y3A GDP 2.31023
50 4DKX GDP 2.31481
51 3CH5 GDP 2.31481
52 1NJF ADP 2.4
53 2OFW ADX 2.40385
54 3BER AMP 2.40964
55 5MVR ADP 2.46914
56 2W58 ADP 2.47525
57 3PQC GDP 2.5641
58 3BFV ADP 2.58303
59 4JLV ADP 2.60223
60 1A4R GNH 2.6178
61 1A4R GDP 2.6178
62 2WIC GNP 2.62172
63 2DPY ADP 2.64026
64 1D2E GDP 2.64026
65 4KBF AMP 2.64026
66 4AG5 ADP 2.64026
67 5ZXD ATP 2.64026
68 3EC1 GDP 2.64026
69 3DZD ADP 2.64026
70 1OIV GDP 2.64026
71 1W5T ADP 2.64026
72 3EWA ANP 2.64026
73 1OYY AGS 2.64026
74 3G1Z AMP 2.64026
75 1WDT GTP 2.64026
76 1SQ5 ADP 2.64026
77 3T34 GDP 2.64026
78 1W7J ADP BEF 2.64901
79 4WOP CTP 2.66667
80 1B0U ATP 2.67176
81 3GJ3 GDP 2.71493
82 3GJ0 GDP 2.71493
83 1G6H ADP 2.72374
84 5XQL C2E 2.74914
85 1VHT BA3 2.75229
86 2ZTS ADP 2.78884
87 4TTQ ATP 2.7907
88 1R0X ATP 2.7972
89 5HR5 ADP 2.82486
90 3KTA AP5 2.89017
91 5LXB 7A9 2.89256
92 1JI0 ATP 2.91667
93 2CBZ ATP 2.95359
94 4B47 GDP 2.9703
95 4HSE ADP 2.9703
96 5L3W GDP 2.9703
97 2C9O ADP 2.9703
98 2CE7 ADP 2.9703
99 5Z69 AGS 2.9703
100 4PTN PYR 2.9703
101 2J5V PCA 2.9703
102 1BRW URA 2.9703
103 1IHU ADP 2.9703
104 2GWH A3P 3.02013
105 2GDJ ANP 3.0303
106 5L3S G 3.04054
107 3B7G ANP 3.04348
108 4RZ3 ADP 3.05085
109 5HCN GCP 3.06513
110 3IUY AMP 3.07018
111 3B8I OXL 3.13589
112 1UJ2 ADP 3.1746
113 1UJ2 C5P 3.1746
114 4D81 ADP 3.18021
115 3LXR GDP 3.24324
116 5HPY GDP 3.24324
117 5O2J 2PO 3.2967
118 3LRE ADP 3.30033
119 1DAR GDP 3.30033
120 3E70 GDP 3.30033
121 4YJ1 ADP 3.30033
122 5AK0 8V1 3.30033
123 1D2N ANP 3.30033
124 3BOS CDP 3.30579
125 1FZQ GDP 3.31492
126 1Q20 A3P 3.34448
127 1Q20 PLO 3.34448
128 2PL3 ADP 3.38983
129 1JJV ATP 3.39806
130 3W5J GDP 3.43137
131 1YRB GDP 3.43511
132 3A4M ADP 3.46154
133 1BO4 COA 3.57143
134 5JVB 2PO 3.57143
135 3CPJ GDP 3.58744
136 2B6N ALA PRO THR 3.59712
137 1O3Y GTP 3.61446
138 6A20 ADP 3.63036
139 1Z6T ADP 3.63036
140 5ZBR ANP 3.63036
141 4QDI ATP 3.63036
142 6CS8 F9Y 3.63036
143 1GZ4 FUM 3.63036
144 1XX6 ADP 3.66492
145 5KSP GDP 3.68421
146 3NOJ PYR 3.78151
147 4WZ6 ATP 3.7931
148 4R2I ANP 3.80952
149 2QZ4 ADP 3.81679
150 1X1R GDP 3.93258
151 3KJI ADP 3.93701
152 1S8F GDP 3.9548
153 1PWB GLC 3.9548
154 2AWN ADP 3.9604
155 5GOE GDP 3.9604
156 1OXV ANP 3.9604
157 1V8K ANP 3.9604
158 2BO4 FLC 3.9604
159 3AB3 GDP 3.9604
160 2P69 PLP 3.9604
161 2CHG ANP 3.9823
162 5W7Q GDP 4.02145
163 4YLG GDP 4.04624
164 2ZPT A3P 4.0678
165 3QVV A3P 4.0678
166 3QVV 3QV 4.0678
167 4QM7 GTP 4.09357
168 2VWT PYR 4.11985
169 1U0J ADP 4.11985
170 4HI0 GDP 4.15094
171 2V5K OXM 4.18118
172 4NON GDP 4.23077
173 5EXT ADP 4.23077
174 1RE0 GDP 4.26829
175 4R43 GDP 4.29043
176 4J0Q GDP 4.29043
177 3U6B GDP 4.29043
178 1D8T GDP 4.29043
179 5JBQ GDP 4.29043
180 4G5G GDP 4.29043
181 3U6K GDP 4.29043
182 5KSZ GCP 4.29043
183 2BVN GNP 4.29043
184 5MZN ADP 4.29043
185 4PC3 GDP 4.29043
186 5Y6N ADP 4.29043
187 1P9B GDP 4.29043
188 4ZG4 VO4 ADP 4.29043
189 4LYA ATP 4.29338
190 5DI3 GNP 4.32432
191 4E03 ADP 4.36893
192 4P3Y GDP 4.3956
193 1KY3 GDP 4.3956
194 1HTW ADP 4.43038
195 3GD8 GOL 4.4843
196 3UIE ANP 4.5
197 5NM7 GLY 4.51128
198 2X77 GDP 4.62046
199 3ITJ CIT 4.62046
200 1K6M AGS 4.62046
201 4NE2 SH2 4.62046
202 4NE2 ADP 4.62046
203 2CJW GDP 4.6875
204 4B5W PYR 4.6875
205 2Z5F A3P 4.69799
206 5GVR LMR 4.70085
207 3Q85 GNP 4.73373
208 1J99 AND 4.77816
209 1ZD9 GDP 4.78723
210 4PX9 ADP 4.79452
211 2PZE ATP 4.80349
212 1H65 GDP 4.81482
213 3FIU POP 4.81928
214 3RWO GDP 4.86486
215 2EFE GNH 4.86891
216 1YQT ADP 4.9505
217 5YV5 ADP 4.9505
218 3NHB ADP 4.9505
219 5WC2 ADP 4.9505
220 1OFZ FUL 4.9505
221 3EZ2 ADP 4.9505
222 1OFZ FUC 4.9505
223 4LX0 BEF GDP 4.9505
224 2BIF ANP 4.9505
225 2BIF SIN 4.9505
226 5XLS URA 4.9505
227 4GOJ GNP 5
228 4ZNL BEF ADP 5.10949
229 2HT6 GDP 5.17241
230 1G8S MET 5.21739
231 4JLS 3ZE 5.26316
232 1X8J A3P 5.28053
233 2VVG ADP 5.28053
234 1GOJ ADP 5.28053
235 5W75 GDP 5.28053
236 5LB3 ADP 5.28053
237 5I34 GDP 5.28053
238 5VGR GDP 5.28053
239 1G6O ADP 5.28053
240 1XKV ATP 5.28053
241 5M7P ADP 5.28053
242 2WMO GTP 5.28053
243 2J59 GTP 5.35714
244 2BME GNP 5.37634
245 1KSH GDP 5.37634
246 5YLF BGC 5.38922
247 3BFX A3P 5.40541
248 5E5U MLI 5.52764
249 1Z0F GDP 5.58659
250 6AIC AMP 5.60748
251 1F9V ADP 5.61056
252 2GK6 ADP 5.61056
253 4V03 ADP 5.61056
254 1RRC ADP 5.64784
255 4XTR ADP 5.65217
256 2J0V GDP 5.66038
257 3REF GDP 5.6701
258 3CNL GNP 5.72519
259 3WUR O4B 5.84795
260 2A9K GDP 5.88235
261 5MEX SZZ 5.90062
262 5MEX PAP 5.90062
263 4V0K GDP 5.91716
264 5TSH ADP 5.94059
265 2OBM ADP 5.94059
266 5W76 GDP 5.94059
267 5TSH ANP 5.94059
268 4LC1 GDP 5.94059
269 3BD9 A3P 5.94059
270 2ZFI ADP 5.94059
271 1YTM ATP 5.94059
272 1U8Z GDP 5.95238
273 4CNO 9PY 5.95238
274 1LVG ADP 6.06061
275 3SFV GDP 6.07735
276 4U00 ADP 6.14754
277 1ION ADP 6.17284
278 1D5C GDP 6.17284
279 1ZRH A3P 6.20438
280 3TK1 GDP 6.27063
281 2GKS ADP 6.27063
282 5UI2 SUC 6.27063
283 3NKV GNP 6.28571
284 2BCG GDP 6.31068
285 1G3Q ADP 6.32911
286 1O5O U5P 6.33484
287 3FWY ADP 6.36943
288 2WJG GDP 6.38298
289 2QN6 GDP 6.45161
290 1G3M PCQ 6.46258
291 1G3M A3P 6.46258
292 1JJ7 ADP 6.53846
293 1F6B GDP 6.56566
294 5O74 GDP 6.59898
295 4XGU ADP 6.60066
296 1AQU A3P 6.73401
297 1VG0 GDP 6.76329
298 5LV1 78T 6.78571
299 3MGB PAP 6.93069
300 3ZFD ANP 6.93069
301 1TU3 GNP 7.01754
302 4KFU ACP 7.07547
303 6C74 PC 7.20721
304 2WJH GDP 7.22892
305 2WJH FLC 7.22892
306 4DID GDP 7.23684
307 1BG2 ADP 7.26073
308 2XT3 ADP 7.26073
309 2V7Q ATP 7.26073
310 1TQ4 GDP 7.26073
311 1W0J ADP 7.26073
312 2CK3 ANP 7.26073
313 2V7Q ADP 7.26073
314 1NY5 ADP 7.26073
315 2ZPA ADP 7.26073
316 4D0G GTP 7.42857
317 5G3Y ADP 7.52212
318 1VG1 GDP 7.56757
319 1VG9 GDP 7.56757
320 2FH5 GTP 7.56757
321 5M04 GDP 7.59076
322 6F5W KG1 7.59076
323 3PCR GTP 7.59076
324 3Q9L ATP 7.69231
325 1T8U A3P 7.72059
326 1T8U UAP SGN IDS SGN 7.72059
327 5BYK OAQ 7.72201
328 5BYK A3P 7.72201
329 1DS6 GDP 7.77778
330 3MD0 GDP 7.92079
331 1KK1 GNP 7.92079
332 5CK5 GDP 7.92079
333 3IO3 ADP 7.92079
334 1Z06 GNP 7.93651
335 5UQW GDP 7.93651
336 5TB5 GDP 8.10811
337 5TAR GDP 8.10811
338 1FNN ADP 8.25082
339 1IN4 ADP 8.25082
340 2XAU ADP 8.25082
341 1Z2A GDP 8.33333
342 1VKJ A3P 8.42105
343 4BQS ADP 8.52273
344 4P4T GDP 8.58086
345 4QOS ADP 8.67924
346 1Z0K GTP 8.69565
347 1SVI GDP 8.71795
348 2FNA ADP 8.91089
349 5XDR ADP 8.91089
350 5WLB GNP 9.03614
351 5H67 ATP 9.04255
352 3DOE GTP 9.09091
353 5OEC GDP 9.13706
354 6G14 G4P 9.18367
355 1T5C ADP 9.24092
356 3WYA GDP 9.24092
357 1G7C 5GP 9.24092
358 3VX3 ADP 9.27419
359 1GRN GDP 9.35961
360 5BQ5 ADP BEF 9.52381
361 4IEE AGS 9.57096
362 5JCZ GDP 9.57096
363 1B7T ADP 9.61539
364 3A1S GDP 9.68992
365 5U32 GDP 9.74576
366 1G41 ADP 9.90099
367 1KK8 BEF ADP 10.0719
368 1RJ9 GCP 10.1974
369 3GJ7 GDP 10.2041
370 3COB ADP 10.231
371 5BN3 ADP 10.231
372 2CDN ADP 10.4478
373 4CVN ADP 10.4712
374 3N5C GDP 10.4938
375 3T5G GDP 10.4972
376 2KIN ADP 10.5042
377 6BSX GDP 10.6742
378 6BSX E7S 10.6742
379 2FSH ANP 10.8911
380 2X7I CIT 10.8911
381 2IYL GDP 10.9155
382 1GXU 2HP 10.989
383 6GMN F4E 11.1111
384 5YT0 GDP 11.2211
385 5FG3 GDP 11.2211
386 1HFE CYS 11.3821
387 1XVB BBX 11.5512
388 4LPS GDP 11.5702
389 2D2F ADP 11.6
390 5KUT GDP 11.6402
391 3IIJ ADP 11.6667
392 4R98 GNH 11.8081
393 4YDS ATP 11.8421
394 5LTJ ADP 11.8812
395 4H1V GNP 12.1951
396 2CYC TYR 12.2112
397 3CYI ATP 12.7273
398 3HY2 ATP 12.7273
399 5H7J GCP 12.8713
400 5H7K GDP 12.8713
401 2W83 GTP 12.987
402 5XKT GNP 13
403 4NTO 1PW 13.0435
404 1KAO GDP 13.1737
405 1NRJ GTP 13.2911
406 1ZJ6 G3D 13.369
407 5BXQ GDP 13.3858
408 2A5J GDP 13.6126
409 3DKP ADP 13.8776
410 5N49 8LW 14.0741
411 1RYH GNP 14.2857
412 1MR3 G3D 14.3646
413 3AQ4 GDP 14.6739
414 1I4D GDP 15.1042
415 3P4X ADP 15.2542
416 1S9D GDP 15.2709
417 1G4U GDP 15.7609
418 1OW3 GDP 16.1157
419 4TL6 ANP 16.2055
420 1HE1 GDP 16.4773
421 2NGR GDP 16.6667
422 1FUT 2GP 16.9811
423 1G16 GDP 17.0588
424 1XP8 AGS 18.1518
425 4YMU ATP 18.3333
426 2O0J ADP 18.4818
427 6C90 ADP 19.2308
428 4DCT GDP 19.802
429 5TIV A3P 20.9486
430 1YZG GDP 21.229
431 3ZIA ATP 21.7391
432 3ZIA ADP 21.7391
433 4ZDJ UTP 23.4323
434 5E95 GDP 24.4048
435 1CLU DBG 24.6988
436 1WQ1 GDP 24.6988
437 1G7S GDP 25
438 5FHD ADP ALF 25
439 5FTB ANP 25
440 3KUD GDP 25.9259
441 1QHH ATP 26.087
442 5O2T GSP 26.2032
443 3WY9 GDP 28.125
444 4GOX A3P 29.703
445 5WDR GNP 29.8246
446 2QEN ADP 30.6931
447 3LQV ADE 30.7692
448 2HCJ GDP 32.4324
449 2G77 GDP 33.3333
450 4GBM A3P 34.3234
451 1J2J GTP 37.7778
452 2Y65 ADP 40
453 1NST A3P 41.6667
454 2FAH GDP 41.6667
455 4D0N GDP 41.6667
456 4PJ3 ANP 41.6667
457 1UPT GTP 41.6667
458 4KVG GTP 41.6667
459 1R4A GNP 41.6667
460 3H4S ADP 50
461 2XZ9 PYR 50
462 2WHX ADP 50
463 1Z0A GDP 50
464 3B5J 12D 50
465 3T1O GDP 50
466 5IFS ADP 50
467 1R6B ADP 50
468 4K81 GTP 50
469 4PFO ADP 50
470 2VB6 ADP BEF 50
Pocket No.: 2; Query (leader) PDB : 5WRJ; Ligand: A3P; Similar sites found with APoc: 19
This union binding pocket(no: 2) in the query (biounit: 5wrj.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 4AG9 COA 1.81818
2 1KC7 PPR 2.31023
3 2HF9 GSP 2.65487
4 3AI8 HNQ 3.125
5 3QBT GNP 3.57143
6 1ZCB GDP 3.9604
7 2F9L GDP 4.0201
8 4L9Z OXL 4.62046
9 3P13 RIP 4.86111
10 3TMK T5A 5.55556
11 2W5Z SAH 5.72917
12 5MDH MAK 5.94059
13 5IGL BMF 6.45161
14 5G41 AP5 7.17489
15 4HDO GNP 7.78443
16 2A5F GTP 9.71429
17 4KAX GTP 10.0592
18 2BMB PMM 10.5611
19 6FAA ADP 18.1518
20 5OFI 9TQ 50
Pocket No.: 3; Query (leader) PDB : 5WRJ; Ligand: A3P; Similar sites found with APoc: 29
This union binding pocket(no: 3) in the query (biounit: 5wrj.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2IL4 COA None
2 5CQG 55C 1.65016
3 5XH2 NPO 2.29008
4 2GJ8 ALF GDP 2.32558
5 2YOH WMJ 2.38095
6 1VBH PEP 2.64026
7 2W2X GSP 3.24324
8 5CX6 CDP 3.63036
9 6BGC BGC 3.9604
10 4ITR GDP 3.9604
11 2FVK DUC 4.29043
12 2D7I UDP 4.62046
13 2HV8 GTP 4.65116
14 2D7C GTP 4.79042
15 3B6C SDN 5.12821
16 4X8O AP5 5.60748
17 1VAY AZA 5.92335
18 3MJH GTP 6.54762
19 1R2Q GNP 7.05882
20 1WA5 GTP 7.38636
21 4C4P GNP 7.47664
22 1F5N GNP 7.59076
23 3X1Z GNP 7.78443
24 2QG6 NMN 8.0402
25 2D7D ADP 9.57096
26 4RM0 FUC NDG GAL 9.90099
27 1MFA GLA MMA ABE 10.8333
28 2UZI GTP 24.6988
29 1M2O GNP 41.6667
Pocket No.: 4; Query (leader) PDB : 5WRJ; Ligand: A3P; Similar sites found with APoc: 14
This union binding pocket(no: 4) in the query (biounit: 5wrj.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 6MFL OPV 1.32013
2 5H68 AGS 2.31023
3 2OUA AES 2.65957
4 1V6A TRE 3.30033
5 4MJ0 SIA SIA GAL 3.63636
6 1M32 PLP 4.9505
7 5C8W PCG 5.59441
8 5W3Y ACO 5.61056
9 3LN9 FLC 7.19424
10 1WF3 GNP 10.6312
11 4P86 5GP 15.847
12 2C5L GTP 23.6994
13 1GUA GNP 24.6914
14 2QTV GNP 41.6667
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