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: 387
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 A2D 0.594937 0.943662
13 ABM 0.594937 0.916667
14 ADP 0.592593 0.971429
15 SRA 0.589744 0.917808
16 A A 0.586957 0.943662
17 RAB 0.585714 0.816901
18 XYA 0.585714 0.816901
19 ADN 0.585714 0.816901
20 AN2 0.585366 0.957747
21 A22 0.58427 0.957747
22 PUA 0.583333 0.883117
23 AMP MG 0.582278 0.890411
24 0WD 0.580952 0.894737
25 A12 0.580247 0.931507
26 AP2 0.580247 0.931507
27 BA3 0.580247 0.943662
28 ATP A A A 0.578947 0.929577
29 25A 0.577778 0.971429
30 AGS 0.576471 0.918919
31 SAP 0.576471 0.918919
32 B4P 0.573171 0.943662
33 AP5 0.573171 0.943662
34 ATP 0.571429 0.971429
35 OVE 0.56962 0.90411
36 7D3 0.567901 0.90411
37 2A5 0.564706 0.917808
38 AQP 0.564706 0.971429
39 APC 0.564706 0.931507
40 5FA 0.564706 0.971429
41 V3L 0.563218 0.971429
42 APU 0.563107 0.918919
43 PAX 0.5625 0.85
44 ETB 0.559633 0.809524
45 DCA 0.559633 0.8
46 CA0 0.559524 0.917808
47 AU1 0.559524 0.944444
48 ADX 0.559524 0.848101
49 M33 0.559524 0.930556
50 A2R 0.555556 0.957747
51 BEF ADP 0.552941 0.88
52 ACP 0.552941 0.944444
53 ADP BEF 0.552941 0.88
54 50T 0.552941 0.930556
55 COA 0.54955 0.8
56 0T1 0.54955 0.8
57 AR6 0.546512 0.943662
58 PRX 0.546512 0.891892
59 APR 0.546512 0.943662
60 TAT 0.545455 0.931507
61 ACQ 0.545455 0.944444
62 D5M 0.54321 0.902778
63 DA 0.54321 0.902778
64 7D4 0.541176 0.90411
65 ADP MG 0.541176 0.90411
66 RBY 0.54023 0.905405
67 AD9 0.54023 0.944444
68 ADV 0.54023 0.905405
69 ADQ 0.537634 0.917808
70 30N 0.535088 0.731183
71 AMX 0.535088 0.809524
72 CAO 0.535088 0.772727
73 COS 0.535088 0.781609
74 CMX 0.530435 0.8
75 SCO 0.530435 0.8
76 SON 0.529412 0.931507
77 GAP 0.52809 0.891892
78 ANP 0.52809 0.944444
79 7D7 0.527778 0.763889
80 5N5 0.527027 0.791667
81 OOB 0.526882 0.930556
82 NA7 0.526316 0.931507
83 FAM 0.525862 0.781609
84 ACO 0.525862 0.772727
85 FCX 0.525862 0.772727
86 ADP PO3 0.522727 0.942857
87 5AL 0.522222 0.930556
88 HAX 0.521368 0.781609
89 A4D 0.52 0.791667
90 5CD 0.52 0.802817
91 FYN 0.516949 0.8
92 3KK 0.516949 0.781609
93 ATP MG 0.516854 0.90411
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 COK 0.512605 0.781609
99 OXK 0.512605 0.781609
100 CA6 0.512605 0.708333
101 MCD 0.512605 0.781609
102 SOP 0.512605 0.781609
103 SRP 0.51087 0.905405
104 VO4 ADP 0.51087 0.930556
105 ADP VO4 0.51087 0.930556
106 ADP BMA 0.510417 0.891892
107 25L 0.510204 0.957747
108 G A A A 0.509091 0.87013
109 CMC 0.508333 0.781609
110 NMX 0.508333 0.73913
111 CO6 0.508333 0.781609
112 1VU 0.508333 0.772727
113 MTA 0.506329 0.77027
114 A3G 0.506024 0.773333
115 PAJ 0.505263 0.858974
116 A U 0.504673 0.868421
117 CAJ 0.504132 0.781609
118 SCD 0.504132 0.8
119 2MC 0.504132 0.747253
120 ALF ADP 0.5 0.868421
121 A1S 0.5 0.781609
122 1HE 0.5 0.764045
123 PTJ 0.5 0.894737
124 3OD 0.5 0.917808
125 EP4 0.5 0.75
126 3HC 0.5 0.790698
127 FYA 0.5 0.90411
128 MLC 0.5 0.781609
129 BCO 0.5 0.781609
130 IVC 0.5 0.790698
131 MAP 0.5 0.918919
132 ADP ALF 0.5 0.868421
133 MCA 0.495935 0.772727
134 COO 0.495935 0.781609
135 YE1 0.495935 0.790698
136 CAA 0.495935 0.790698
137 U A C C 0.495575 0.857143
138 3UK 0.494845 0.917808
139 OAD 0.494845 0.917808
140 8QN 0.494737 0.930556
141 5SV 0.494737 0.846154
142 ANP MG 0.494624 0.893333
143 6RE 0.493976 0.75641
144 101 0.493976 0.902778
145 3DH 0.493827 0.77027
146 M2T 0.493671 0.730769
147 5AD 0.493151 0.742857
148 MC4 0.491935 0.73913
149 SCA 0.491935 0.781609
150 2CP 0.491935 0.772727
151 U A G G 0.491071 0.881579
152 WAQ 0.489796 0.881579
153 A1R 0.489583 0.881579
154 AMO 0.489583 0.905405
155 4AD 0.489583 0.893333
156 AOC 0.488095 0.819444
157 3CP 0.488 0.781609
158 COF 0.488 0.764045
159 COW 0.488 0.772727
160 IRC 0.488 0.790698
161 2KQ 0.488 0.764045
162 1GZ 0.488 0.772727
163 CA8 0.488 0.708333
164 BYC 0.488 0.781609
165 HGG 0.488 0.781609
166 Y3J 0.486842 0.722222
167 FA5 0.485149 0.905405
168 1ZZ 0.484848 0.8375
169 AHX 0.484536 0.87013
170 DAL AMP 0.484211 0.90411
171 BCA 0.484127 0.772727
172 FAQ 0.484127 0.781609
173 4CA 0.484127 0.772727
174 AV2 0.483871 0.916667
175 DAT 0.483146 0.90411
176 5X8 0.483146 0.76
177 5AS 0.482759 0.776471
178 APC G U 0.482456 0.857143
179 ANZ 0.480769 0.820513
180 3AD 0.480519 0.828571
181 HXC 0.480315 0.764045
182 GRA 0.480315 0.781609
183 3AT 0.478261 0.971429
184 A3S 0.477273 0.783784
185 TGC 0.476562 0.772727
186 9SN 0.475248 0.87013
187 LAD 0.474747 0.858974
188 PR8 0.474747 0.848101
189 CO8 0.472868 0.764045
190 CIC 0.472868 0.781609
191 2NE 0.472868 0.764045
192 CCQ 0.472868 0.747253
193 1CZ 0.472868 0.772727
194 S0N 0.472868 0.781609
195 A5D 0.472527 0.783784
196 DSH 0.470588 0.721519
197 YAP 0.470588 0.893333
198 BIS 0.47 0.906667
199 ME8 0.47 0.8375
200 TXA 0.47 0.905405
201 NB8 0.47 0.87013
202 MYA 0.469231 0.764045
203 5F9 0.469231 0.764045
204 DCC 0.469231 0.764045
205 4CO 0.469231 0.772727
206 ST9 0.469231 0.764045
207 UCC 0.469231 0.764045
208 MFK 0.469231 0.764045
209 0FQ 0.469231 0.781609
210 A3T 0.466667 0.794521
211 U A A U 0.466667 0.906667
212 0ET 0.465649 0.764045
213 01A 0.465649 0.747253
214 TM1 0.465347 0.792683
215 J7C 0.465116 0.766234
216 AS 0.465116 0.855263
217 IMO 0.465116 0.928571
218 PO4 PO4 A A A A PO4 0.464646 0.928571
219 ZAS 0.464286 0.763158
220 DTP 0.462366 0.90411
221 CS8 0.462121 0.755556
222 1CV 0.462121 0.781609
223 WCA 0.462121 0.764045
224 4UV 0.461538 0.893333
225 NJP 0.460177 0.918919
226 S4M 0.45977 0.662791
227 NHW 0.458647 0.764045
228 4KX 0.458647 0.755556
229 NHM 0.458647 0.764045
230 HDC 0.458647 0.764045
231 UOQ 0.458647 0.764045
232 LAQ 0.457944 0.8375
233 JB6 0.455446 0.881579
234 NDP 0.455357 0.894737
235 NPW 0.455357 0.860759
236 MRS 0.455224 0.764045
237 HFQ 0.455224 0.764045
238 MRR 0.455224 0.764045
239 UPA 0.454545 0.881579
240 MAO 0.454545 0.756098
241 GGZ 0.453608 0.822785
242 NEC 0.453488 0.72
243 AFH 0.45283 0.858974
244 4UU 0.45283 0.893333
245 NHQ 0.452555 0.790698
246 TYR AMP 0.451923 0.88
247 XAH 0.451923 0.8375
248 YNC 0.451852 0.772727
249 DAK 0.451852 0.755556
250 SAH 0.451613 0.74026
251 G5A 0.451613 0.776471
252 MYR AMP 0.45098 0.814815
253 2VA 0.450549 0.773333
254 SFG 0.450549 0.746667
255 4UW 0.449541 0.858974
256 8Z2 0.448529 0.755556
257 A3N 0.448276 0.76
258 A U C C 0.448 0.846154
259 V1N 0.447619 0.916667
260 AMP DBH 0.447619 0.866667
261 ACK 0.447059 0.885714
262 103 0.447059 0.861111
263 QQY 0.447059 0.837838
264 3NZ 0.445545 0.75641
265 TYM 0.445455 0.905405
266 A G U 0.445312 0.8375
267 A7D 0.444444 0.773333
268 XNP 0.443478 0.871795
269 G3A 0.443396 0.894737
270 GJV 0.443182 0.746835
271 NVA 2AD 0.44086 0.74026
272 SA8 0.44086 0.703704
273 48N 0.440367 0.87013
274 YLP 0.440367 0.817073
275 WMP 0.439655 0.864865
276 AR6 AR6 0.439252 0.916667
277 G5P 0.439252 0.894737
278 G3D 0.438776 0.905405
279 D3Y 0.438776 0.763158
280 TSB 0.438776 0.795181
281 TXP 0.438596 0.894737
282 ZZB 0.438596 0.792683
283 NZQ 0.438596 0.883117
284 A5A 0.4375 0.804878
285 NAX 0.436364 0.848101
286 UP5 0.436364 0.893333
287 DND 0.436364 0.905405
288 NAI 0.436364 0.881579
289 NXX 0.436364 0.905405
290 SAI 0.43617 0.730769
291 VRT 0.43617 0.74359
292 SO8 0.43617 0.763158
293 1HA 0.435714 0.764045
294 A6D 0.435644 0.719512
295 QQX 0.435294 0.826667
296 GTA 0.435185 0.860759
297 TAD 0.435185 0.858974
298 ODP 0.434783 0.883117
299 SMM 0.43299 0.682353
300 SSA 0.43299 0.776471
301 01K 0.432624 0.781609
302 OMR 0.432432 0.82716
303 DDS 0.431579 0.876712
304 139 0.429825 0.848101
305 COT 0.429577 0.781609
306 VMS 0.428571 0.785714
307 AP0 0.428571 0.87013
308 52H 0.428571 0.776471
309 4TC 0.428571 0.87013
310 CC5 0.428571 0.814286
311 54H 0.428571 0.785714
312 DZD 0.42735 0.858974
313 LPA AMP 0.427273 0.814815
314 AAT 0.427083 0.703704
315 EEM 0.427083 0.686747
316 7MD 0.425926 0.8375
317 3D1 0.425 0.77027
318 3L1 0.425 0.77027
319 53H 0.424242 0.776471
320 5CA 0.424242 0.776471
321 MHZ 0.423913 0.694118
322 CA3 0.423611 0.781609
323 TXD 0.423423 0.881579
324 6V0 0.423423 0.87013
325 DG1 0.422764 0.894737
326 TAP 0.422764 0.906667
327 1DG 0.422764 0.894737
328 38Y 0.422414 0.804878
329 IOT 0.421053 0.829268
330 U G A 0.419847 0.8375
331 TXE 0.419643 0.881579
332 S7M 0.418367 0.686747
333 AHZ 0.418182 0.814815
334 ARG AMP 0.418182 0.82716
335 P5A 0.417476 0.741573
336 T5A 0.417391 0.817073
337 SAM 0.416667 0.686747
338 YLC 0.415929 0.8375
339 7MC 0.415929 0.817073
340 YLB 0.415929 0.817073
341 CPA 0.415929 0.825
342 DSZ 0.415842 0.776471
343 NSS 0.415842 0.776471
344 LSS 0.415842 0.758621
345 AAM 0.41573 0.971014
346 NAP 0.414634 0.944444
347 CNA 0.413793 0.905405
348 RP1 0.413793 0.864865
349 SP1 0.413793 0.864865
350 A4P 0.412281 0.819277
351 NVA LMS 0.411765 0.758621
352 YSA 0.411215 0.776471
353 8BR 0.411111 0.905405
354 5J9 0.409524 0.728395
355 CA5 0.409396 0.747253
356 ITT 0.408602 0.915493
357 NA0 0.408 0.931507
358 LEU LMS 0.407767 0.758621
359 HMG 0.407407 0.75
360 LA8 ALF 3PG 0.40708 0.835443
361 ALF ADP 3PG 0.40708 0.835443
362 AF3 ADP 3PG 0.40708 0.835443
363 COD 0.40678 0.788235
364 NAD 0.40678 0.930556
365 93P 0.406667 0.772727
366 UCA 0.406667 0.764045
367 2BA 0.406593 0.942029
368 CMP 0.406593 0.927536
369 71V 0.406593 0.881579
370 6C6 0.40625 0.88
371 GEK 0.405941 0.734177
372 12D 0.405405 0.783133
373 ADJ 0.405172 0.82716
374 YLA 0.405172 0.817073
375 GSU 0.403846 0.776471
376 KAA 0.403846 0.75
377 BT5 0.403361 0.829268
378 3GP 0.402174 0.891892
379 6IA 0.402062 0.835443
380 0UM 0.401961 0.695122
381 AYB 0.401709 0.807229
382 M24 0.401639 0.848101
383 PLM COA 0.40146 0.733333
384 COA MYR 0.40146 0.733333
385 COA PLM 0.40146 0.733333
386 J7V 0.4 0.809524
387 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: 320
This union binding pocket(no: 1) in the query (biounit: 5wrj.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1OYF MHN 0.02013 0.40731 None
2 1MKY GDP 0.0006155 0.47835 0.990099
3 3W9F I3P 0.01845 0.415 1.15385
4 2RCN GDP 0.001328 0.46191 1.32013
5 5IRN ADP 0.0005064 0.46658 1.65016
6 2ZJ5 ADP 0.01888 0.41638 1.65016
7 1M7G AV2 0.003394 0.41795 1.89573
8 1M7G ADX 0.007674 0.41751 1.89573
9 4PPF FLC 0.0006178 0.49759 1.9802
10 2ZR9 DTP 0.00076 0.47384 1.9802
11 3DC4 ADP 0.001767 0.46679 1.9802
12 2IS6 ADP 0.001381 0.46109 1.9802
13 1Q19 SSC 0.00432 0.45421 1.9802
14 2I4O ATP 0.009311 0.42024 1.9802
15 2I4I AMP 0.007347 0.40965 1.9802
16 2JK0 ASP 0.02053 0.40929 1.9802
17 5L3V GDP 0.001252 0.45316 2.00669
18 1PUJ GNP 0.004289 0.424 2.12766
19 2XTN GTP 0.004276 0.40658 2.13675
20 3GJ4 GDP 0.003164 0.44336 2.26244
21 3GJ5 GDP 0.002903 0.44047 2.26244
22 3GJ8 GDP 0.003368 0.43736 2.26244
23 3DEF GDP 0.00357 0.42766 2.29008
24 1SKQ GDP 0.0005643 0.48613 2.31023
25 4LJ9 ACP 0.003773 0.43959 2.31023
26 2OM2 GDP 0.001288 0.43554 2.31023
27 3RC3 ANP 0.006544 0.4324 2.31023
28 5KDO GDP 0.00194 0.42787 2.31023
29 1GP2 GDP 0.001679 0.42339 2.31023
30 1GOT GDP 0.002097 0.42283 2.31023
31 1Y3A GDP 0.003475 0.41031 2.31023
32 2B8W ALF 5GP 0.003144 0.40896 2.31023
33 4DKX GDP 0.0008909 0.47045 2.31481
34 3BER AMP 0.002449 0.44883 2.40964
35 5MVR ADP 0.006977 0.42642 2.46914
36 2W58 ADP 0.0008943 0.48993 2.47525
37 3PQC GDP 0.004256 0.4282 2.5641
38 3BFV ADP 0.001742 0.45612 2.58303
39 4JLV ADP 0.01526 0.41376 2.60223
40 1A4R GNH 0.00737 0.40958 2.6178
41 1A4R GDP 0.009067 0.40219 2.6178
42 2WIC GNP 0.0006867 0.47054 2.62172
43 2DPY ADP 0.000392 0.50066 2.64026
44 1SQ5 ADP 0.0002812 0.48916 2.64026
45 4KBF AMP 0.0006693 0.48239 2.64026
46 4AG5 ADP 0.001264 0.4769 2.64026
47 3EC1 GDP 0.001052 0.46165 2.64026
48 1D2E GDP 0.001575 0.44398 2.64026
49 1OIV GDP 0.0009644 0.43155 2.64026
50 3DZD ADP 0.00332 0.4291 2.64026
51 1W5T ADP 0.003301 0.42527 2.64026
52 3EWA ANP 0.008656 0.4218 2.64026
53 1OYY AGS 0.01122 0.41623 2.64026
54 3G1Z AMP 0.01536 0.40949 2.64026
55 1WDT GTP 0.006422 0.40879 2.64026
56 3T34 GDP 0.004103 0.40733 2.64026
57 4WOP CTP 0.001835 0.42891 2.66667
58 2C04 GCP 0.008831 0.40605 2.6936
59 3GJ3 GDP 0.001636 0.45746 2.71493
60 3GJ0 GDP 0.002775 0.44616 2.71493
61 1G6H ADP 0.0005256 0.50114 2.72374
62 5XQL C2E 0.002313 0.4181 2.74914
63 1VHT BA3 0.002499 0.43906 2.75229
64 4TTQ ATP 0.0009011 0.47021 2.7907
65 5HR5 ADP 0.00125 0.44421 2.82486
66 3KTA AP5 0.008628 0.41003 2.89017
67 1JI0 ATP 0.005115 0.44286 2.91667
68 2CBZ ATP 0.001258 0.483 2.95359
69 4B47 GDP 0.0006887 0.48177 2.9703
70 4HSE ADP 0.001443 0.45506 2.9703
71 5L3W GDP 0.002538 0.43874 2.9703
72 4PTN PYR 0.01815 0.41379 2.9703
73 1BRW URA 0.02532 0.40854 2.9703
74 2J5V PCA 0.04413 0.40775 2.9703
75 2GWH A3P 0.000009885 0.53852 3.02013
76 2GDJ ANP 0.006421 0.42821 3.0303
77 5L3S G 0.01616 0.42105 3.04054
78 3B7G ANP 0.001541 0.45368 3.04348
79 4RZ3 ADP 0.008256 0.40736 3.05085
80 5HCN GCP 0.003515 0.43647 3.06513
81 4D81 ADP 0.00212 0.43805 3.18021
82 3LXR GDP 0.00306 0.43493 3.24324
83 5HPY GDP 0.01174 0.40047 3.24324
84 3LRE ADP 0.0008221 0.49597 3.30033
85 1DAR GDP 0.001231 0.46354 3.30033
86 3E70 GDP 0.001177 0.4593 3.30033
87 1D2N ANP 0.001529 0.43233 3.30033
88 3BOS CDP 0.002018 0.45297 3.30579
89 1FZQ GDP 0.001358 0.46145 3.31492
90 1Q20 A3P 0.00005679 0.43037 3.34448
91 1Q20 PLO 0.00005679 0.43037 3.34448
92 2PL3 ADP 0.002016 0.45822 3.38983
93 1JJV ATP 0.0004405 0.50207 3.39806
94 3W5J GDP 0.0002183 0.52375 3.43137
95 1YRB GDP 0.003447 0.42835 3.43511
96 3A4M ADP 0.0005674 0.49234 3.46154
97 1BO4 COA 0.01359 0.41211 3.57143
98 2B6N ALA PRO THR 0.01008 0.42775 3.59712
99 1O3Y GTP 0.003337 0.41104 3.61446
100 1Z6T ADP 0.002875 0.42797 3.63036
101 4QDI ATP 0.01712 0.40332 3.63036
102 1XX6 ADP 0.002378 0.46397 3.66492
103 5KSP GDP 0.0005673 0.47453 3.68421
104 4WZ6 ATP 0.009584 0.43179 3.7931
105 4R2I ANP 0.007153 0.4353 3.80952
106 2QZ4 ADP 0.003653 0.43132 3.81679
107 1X1R GDP 0.002575 0.40189 3.93258
108 1S8F GDP 0.0008681 0.46061 3.9548
109 2AWN ADP 0.0003329 0.51632 3.9604
110 5GOE GDP 0.0007732 0.46297 3.9604
111 1OXV ANP 0.005913 0.43462 3.9604
112 1V8K ANP 0.005874 0.43011 3.9604
113 2CHG ANP 0.002792 0.42854 3.9823
114 4YLG GDP 0.002519 0.43055 4.04624
115 2ZPT A3P 0.0001087 0.50523 4.0678
116 3QVV 3QV 0.00002061 0.43881 4.0678
117 3QVV A3P 0.00002246 0.43261 4.0678
118 4QM7 GTP 0.002376 0.44948 4.09357
119 1U0J ADP 0.001719 0.46172 4.11985
120 4HI0 GDP 0.001031 0.43969 4.15094
121 4NON GDP 0.0005763 0.47975 4.23077
122 4R43 GDP 0.0002719 0.4958 4.29043
123 4J0Q GDP 0.0003711 0.49531 4.29043
124 3U6B GDP 0.0006354 0.48353 4.29043
125 1D8T GDP 0.0007044 0.47547 4.29043
126 5JBQ GDP 0.0007532 0.47404 4.29043
127 4G5G GDP 0.0007961 0.47285 4.29043
128 3U6K GDP 0.0009 0.47023 4.29043
129 4PC3 GDP 0.0005191 0.46609 4.29043
130 5KSZ GCP 0.001999 0.44361 4.29043
131 5GJC ATP 0.005499 0.43152 4.29043
132 2BVN GNP 0.0049 0.42134 4.29043
133 5MZN ADP 0.01553 0.41778 4.29043
134 4ZG4 VO4 ADP 0.006 0.40048 4.29043
135 4LYA ATP 0.004856 0.42972 4.29338
136 5DI3 GNP 0.006144 0.40311 4.32432
137 4E03 ADP 0.0036 0.43597 4.36893
138 3UIE ANP 0.01036 0.41001 4.5
139 2VF7 ADP 0.002364 0.44475 4.62046
140 2X77 GDP 0.003531 0.43638 4.62046
141 2CJW GDP 0.001209 0.46393 4.6875
142 2Z5F A3P 0.000006824 0.53345 4.69799
143 5GVR LMR 0.0002623 0.5332 4.70085
144 3Q85 GNP 0.00109 0.46614 4.73373
145 1J99 AND 0.0001592 0.41377 4.77816
146 1ZD9 GDP 0.001189 0.44101 4.78723
147 4PX9 ADP 0.0007022 0.48134 4.79452
148 2PZE ATP 0.004332 0.4514 4.80349
149 1H65 GDP 0.00193 0.42435 4.81482
150 3FIU POP 0.01858 0.41984 4.81928
151 2EFE GNH 0.002231 0.43703 4.86891
152 1YQT ADP 0.000588 0.49652 4.9505
153 3NHB ADP 0.003122 0.45764 4.9505
154 3EZ2 ADP 0.01241 0.41832 4.9505
155 4LX0 BEF GDP 0.004404 0.40618 4.9505
156 4GOJ GNP 0.007469 0.40264 5
157 4ZNL BEF ADP 0.00164 0.45238 5.10949
158 2HT6 GDP 0.001307 0.46774 5.17241
159 2VVG ADP 0.0009006 0.49336 5.28053
160 1GOJ ADP 0.001115 0.4875 5.28053
161 5LB3 ADP 0.004092 0.4427 5.28053
162 5I34 GDP 0.002866 0.44073 5.28053
163 5VGR GDP 0.001661 0.43867 5.28053
164 1XKV ATP 0.004786 0.4258 5.28053
165 1X8J A3P 0.0000196 0.41174 5.28053
166 2J59 GTP 0.00444 0.4059 5.35714
167 2BME GNP 0.003389 0.40928 5.37634
168 3BFX A3P 0.00002582 0.51406 5.40541
169 5E5U MLI 0.01434 0.44171 5.52764
170 1Z0F GDP 0.0004408 0.47979 5.58659
171 1F9V ADP 0.001242 0.47898 5.61056
172 2GK6 ADP 0.002387 0.46003 5.61056
173 4V03 ADP 0.005538 0.42282 5.61056
174 4XTR ADP 0.009375 0.40155 5.65217
175 2J0V GDP 0.003753 0.4351 5.66038
176 3REF GDP 0.005757 0.40431 5.6701
177 3CNL GNP 0.0004712 0.49008 5.72519
178 3WUR O4B 0.01284 0.41184 5.84795
179 2A9K GDP 0.0005395 0.46059 5.88235
180 5MEX PAP 0.000005243 0.54447 5.90062
181 5MEX SZZ 0.00004133 0.41699 5.90062
182 4V0K GDP 0.005907 0.41039 5.91716
183 3BD9 A3P 0.00001268 0.55377 5.94059
184 5TSH ADP 0.0001346 0.53052 5.94059
185 2OBM ADP 0.001217 0.48485 5.94059
186 4LC1 GDP 0.001037 0.46721 5.94059
187 5TSH ANP 0.001326 0.46196 5.94059
188 2ZFI ADP 0.006122 0.42923 5.94059
189 1YTM ATP 0.008153 0.401 5.94059
190 1U8Z GDP 0.002449 0.41661 5.95238
191 1LVG ADP 0.0004908 0.4956 6.06061
192 3SFV GDP 0.001703 0.40671 6.07735
193 4U00 ADP 0.0003649 0.51122 6.14754
194 1ION ADP 0.002076 0.44285 6.17284
195 1D5C GDP 0.001986 0.43518 6.17284
196 1ZRH A3P 0.0002147 0.46902 6.20438
197 3TK1 GDP 0.0002137 0.51429 6.27063
198 3NKV GNP 0.004141 0.41035 6.28571
199 2BCG GDP 0.004003 0.41783 6.31068
200 1G3Q ADP 0.000723 0.46947 6.32911
201 3FWY ADP 0.003762 0.42272 6.36943
202 2WJG GDP 0.0005972 0.47899 6.38298
203 2QN6 GDP 0.0009083 0.4757 6.45161
204 1G3M A3P 0.00003729 0.41413 6.46258
205 1G3M PCQ 0.00003729 0.41413 6.46258
206 1JJ7 ADP 0.0008638 0.49226 6.53846
207 1F6B GDP 0.004216 0.43267 6.56566
208 1AQU A3P 0.00000329 0.49556 6.73401
209 1VG0 GDP 0.002577 0.43416 6.76329
210 3MGB PAP 0.000001015 0.56905 6.93069
211 3ZFD ANP 0.01288 0.40555 6.93069
212 4DID GDP 0.004566 0.43101 7.23684
213 2XT3 ADP 0.0007155 0.4951 7.26073
214 1TQ4 GDP 0.0003339 0.46077 7.26073
215 2V7Q ATP 0.002866 0.43627 7.26073
216 1W0J ADP 0.003268 0.42942 7.26073
217 2V7Q ADP 0.008995 0.42098 7.26073
218 1NY5 ADP 0.007387 0.40954 7.26073
219 2ZPA ADP 0.006583 0.40832 7.26073
220 4D0G GTP 0.00479 0.40768 7.42857
221 1VG9 GDP 0.00173 0.45126 7.56757
222 2FH5 GTP 0.002288 0.4248 7.56757
223 5M04 GDP 0.0008703 0.47664 7.59076
224 3PCR GTP 0.00437 0.40619 7.59076
225 3Q9L ATP 0.01137 0.41191 7.69231
226 1T8U A3P 0.00001678 0.51664 7.72059
227 1KK1 GNP 0.00103 0.47296 7.92079
228 5CK5 GDP 0.003432 0.44656 7.92079
229 1Z06 GNP 0.002922 0.41024 7.93651
230 5UQW GDP 0.003489 0.40712 7.93651
231 5TB5 GDP 0.002076 0.44284 8.10811
232 5TAR GDP 0.001766 0.4417 8.10811
233 1FNN ADP 0.00495 0.41377 8.25082
234 1IN4 ADP 0.00562 0.41134 8.25082
235 2XAU ADP 0.01498 0.40246 8.25082
236 1Z2A GDP 0.004392 0.4061 8.33333
237 1VKJ A3P 0.0001934 0.47097 8.42105
238 4BQS ADP 0.00157 0.45834 8.52273
239 4QOS ADP 0.003014 0.43524 8.67924
240 1Z0K GTP 0.00532 0.40265 8.69565
241 1SVI GDP 0.00139 0.46637 8.71795
242 2FNA ADP 0.001298 0.43162 8.91089
243 5XDR ADP 0.01553 0.40537 8.91089
244 5H67 ATP 0.002801 0.44121 9.04255
245 3DOE GTP 0.005059 0.40355 9.09091
246 1T5C ADP 0.000177 0.53415 9.24092
247 3WYA GDP 0.0008175 0.47229 9.24092
248 1G7C 5GP 0.007602 0.42459 9.24092
249 3VX3 ADP 0.003901 0.41832 9.27419
250 1GRN GDP 0.007708 0.40871 9.35961
251 5BQ5 ADP BEF 0.001661 0.44739 9.52381
252 4IEE AGS 0.002503 0.45349 9.57096
253 5JCZ GDP 0.002165 0.42957 9.57096
254 1B7T ADP 0.01029 0.41015 9.61539
255 3A1S GDP 0.001428 0.45527 9.68992
256 1KK8 BEF ADP 0.008473 0.40685 10.0719
257 3GJ7 GDP 0.001863 0.45468 10.2041
258 4CVN ADP 0.0004268 0.49875 10.4712
259 3N5C GDP 0.001087 0.46619 10.4938
260 3T5G GDP 0.001196 0.45407 10.4972
261 1XTQ GDP 0.005231 0.40295 10.7345
262 2FSH ANP 0.01159 0.41982 10.8911
263 2X7I CIT 0.01325 0.41267 10.8911
264 2IYL GDP 0.0007173 0.47508 10.9155
265 5FG3 GDP 0.00104 0.47273 11.2211
266 1HFE CYS 0.02477 0.40878 11.3821
267 1XVB BBX 0.01977 0.40472 11.5512
268 4LPS GDP 0.003207 0.43838 11.5702
269 2D2F ADP 0.0008759 0.48422 11.6
270 3IIJ ADP 0.0001402 0.50996 11.6667
271 4R98 GNH 0.0003593 0.48985 11.8081
272 4YDS ATP 0.001995 0.46407 11.8421
273 5LTJ ADP 0.005261 0.42805 11.8812
274 4H1V GNP 0.002444 0.43114 12.1951
275 2CYC TYR 0.03473 0.40053 12.2112
276 1JWY GDP 0.001814 0.44116 12.5413
277 1JWY ADP 0.0133 0.40863 12.5413
278 3CYI ATP 0.01201 0.42389 12.7273
279 3HY2 ATP 0.01813 0.40995 12.7273
280 2W83 GTP 0.00402 0.40769 12.987
281 5UFQ GNP 0.003825 0.40037 13.1148
282 1KAO GDP 0.001996 0.43509 13.1737
283 1NRJ GTP 0.005164 0.40956 13.2911
284 1ZJ6 G3D 0.00182 0.45021 13.369
285 5BXQ GDP 0.002665 0.44225 13.3858
286 2A5J GDP 0.0004531 0.47386 13.6126
287 3DKP ADP 0.001285 0.46261 13.8776
288 5N49 8LW 0.03173 0.40153 14.0741
289 3AQ4 GDP 0.002334 0.44502 14.6739
290 1I4D GDP 0.00205 0.45786 15.1042
291 1S9D GDP 0.001921 0.44908 15.2709
292 1G4U GDP 0.001252 0.44002 15.7609
293 1HE1 GDP 0.003349 0.41766 16.4773
294 2NGR GDP 0.006524 0.42355 16.6667
295 1G16 GDP 0.005939 0.40373 17.0588
296 4YMU ATP 0.004159 0.44235 18.3333
297 5XCO GDP 0.000337 0.47469 19.0476
298 4DCT GDP 0.001326 0.45682 19.802
299 1YZG GDP 0.001717 0.45143 21.229
300 3ZIA ATP 0.002531 0.44333 21.7391
301 3ZIA ADP 0.001869 0.44056 21.7391
302 5E95 GDP 0.0005881 0.45891 24.4048
303 1WQ1 GDP 0.003623 0.40956 24.6988
304 5FTB ANP 0.000811 0.462 25
305 1G7S GDP 0.002184 0.4464 25
306 5FHD ADP ALF 0.006208 0.40611 25
307 3KUD GDP 0.00431 0.41294 25.9259
308 1QHH ATP 0.01915 0.40096 26.087
309 3WY9 GDP 0.0004921 0.48913 28.125
310 4GOX A3P 0.000000002975 0.66115 29.703
311 2QEN ADP 0.001307 0.40115 30.6931
312 3LQV ADE 0.01906 0.409 30.7692
313 2HCJ GDP 0.0007007 0.48139 32.4324
314 2G77 GDP 0.001327 0.44305 33.3333
315 4GBM A3P 0.000000001403 0.67464 34.3234
316 1J2J GTP 0.004971 0.40387 37.7778
317 1NST A3P 0.00002621 0.51952 41.6667
318 2FAH GDP 0.001476 0.44527 41.6667
319 4PJ3 ANP 0.004186 0.42448 41.6667
320 1UPT GTP 0.0043 0.40966 41.6667
321 3H4S ADP 0.00067 0.49734 50
322 2WHX ADP 0.0027 0.4601 50
323 1Z0A GDP 0.000924 0.45934 50
324 3B5J 12D 0.004457 0.44597 50
325 3T1O GDP 0.002581 0.4384 50
326 2XZ9 PYR 0.01171 0.42656 50
327 1R6B ADP 0.007185 0.42152 50
Pocket No.: 2; Query (leader) PDB : 5WRJ; Ligand: A3P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5wrj.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5WRJ; Ligand: A3P; Similar sites found: 13
This union binding pocket(no: 3) in the query (biounit: 5wrj.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2IL4 COA 0.0127 0.40072 None
2 5CQG 55C 0.02332 0.40584 1.65016
3 4AG9 COA 0.01809 0.40441 1.81818
4 2W2X GSP 0.007672 0.40051 3.24324
5 1ZCB GDP 0.004099 0.40897 3.9604
6 4ITR GDP 0.008944 0.40084 3.9604
7 2D7I UDP 0.01859 0.40005 4.62046
8 4XGU ADP 0.009891 0.40223 6.60066
9 5G41 AP5 0.01204 0.40983 7.17489
10 2A5F GTP 0.004157 0.40013 9.71429
11 4RM0 FUC NDG GAL 0.02553 0.40196 9.90099
12 1MFA GLA MMA ABE 0.03106 0.40168 10.8333
13 5JSQ 6MS 0.01785 0.4009 18.5185
14 4PFO ADP 0.004313 0.40805 50
Pocket No.: 4; Query (leader) PDB : 5WRJ; Ligand: A3P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5wrj.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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