Receptor
PDB id Resolution Class Description Source Keywords
5WRI 1.6 Å EC: 2.8.2.20 CRYSTAL STRUCTURE OF HUMAN TYROSYLPROTEIN SULFOTRANSFERASE-1 WITH PAP AND C4 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;
A:401;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
ZN B:403;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
ASP PHE GLU ASP TYR GLU PHE ASP D:1002;
E:1002;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.013;
Atoms found LESS than expected: % Diff = 0.091;
submit data
1059.01 n/a O=C([...
MG A:402;
B:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
GOL A:403;
Invalid;
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
5WRI 1.6 Å EC: 2.8.2.20 CRYSTAL STRUCTURE OF HUMAN TYROSYLPROTEIN SULFOTRANSFERASE-1 WITH PAP AND C4 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 5WRI - ASP PHE GLU ASP TYR GLU PHE ASP n/a n/a
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 5WRI - ASP PHE GLU ASP TYR GLU PHE ASP n/a n/a
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 5WRI - ASP PHE GLU ASP TYR GLU PHE ASP n/a n/a
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
Ligand no: 2; Ligand: ASP PHE GLU ASP TYR GLU PHE ASP; Similar ligands found: 125
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP PHE GLU ASP TYR GLU PHE ASP 1 1
2 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.66055 0.843137
3 THR ASN GLU PHE TYR PHE 0.652174 0.911111
4 ALA GLU THR PHE TYR VAL ASP GLY 0.615385 0.875
5 ASP ALA ASP GLU TYR LEU 0.606061 0.851064
6 ASP PHE GLU GLU ILE 0.595745 0.744681
7 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.587156 0.811321
8 GLU ASN GLN LYS GLU TYR PHE PHE 0.586538 0.857143
9 THR ASN GLU PHE TYR ALA 0.582524 0.857143
10 ASP PHE M3L THR ASP 0.567308 0.639344
11 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.565891 0.736842
12 SER HIS PHE ASN GLU TYR GLU 0.554622 0.754386
13 ASP SEP TYR GLU VAL LEU ASP LEU 0.545455 0.689655
14 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.537313 0.65625
15 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.532787 0.728814
16 THR ASN GLU TYR TYR VAL 0.530612 0.854167
17 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.522936 0.833333
18 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.521739 0.803922
19 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.520408 0.851064
20 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.518519 0.823529
21 THR TYR LYS PHE PHE GLU GLN 0.518519 0.823529
22 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.514852 0.744681
23 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.513043 0.716981
24 GLU VAL TYR GLU SER 0.509804 0.76
25 THR ASN GLU TYR LYS VAL 0.509434 0.784314
26 GLU ASN LEU TYR PHE GLN 0.504587 0.84
27 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.504132 0.606061
28 ASP ALA GLU PHE ARG HIS ASP SER 0.504132 0.606557
29 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.495868 0.792453
30 SER ASP TYR GLN ARG LEU 0.495413 0.701754
31 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.491667 0.736842
32 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.491525 0.823529
33 LEU GLU PHE GLN GLY 0.490385 0.653846
34 THR ASN GLU PHE ALA PHE 0.490196 0.782609
35 GLU GLU GLN GLU GLU TYR 0.488889 0.906977
36 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.48855 0.68254
37 GLU THR PHE TYR VAL ASP GLY 0.486957 0.807692
38 GLU GLN TYR LYS PHE TYR SER VAL 0.486957 0.763636
39 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.486486 0.693548
40 ASP ASP LEU TYR GLY 0.485149 0.764706
41 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.484127 0.777778
42 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.479339 0.716981
43 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.478992 0.792453
44 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.478632 0.689655
45 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.477941 0.704918
46 ASP GLU ASP LYS TRP ASP ASP PHE 0.477876 0.75
47 ASP PHE 0.47619 0.697674
48 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.474453 0.693548
49 TYR GLN PHE 0.474227 0.909091
50 GLU THR VAL ARG PHE GLN SER ASP 0.472441 0.644068
51 LEU ASP GLU PTR VAL ALA THR ARG 0.471698 0.722222
52 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.471014 0.68254
53 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.468254 0.706897
54 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.467742 0.84
55 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.46729 0.77551
56 ACE VAL PHE PHE ALA GLU ASP NH2 0.46729 0.782609
57 GLU LEU ASP LYS TYR ALA SER 0.465517 0.773585
58 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.465278 0.617647
59 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.462585 0.661538
60 LYS PHE LYS 0.462366 0.638298
61 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.461538 0.767857
62 ASP PHE SER ILE 0.46 0.653846
63 THR PRO ASP TYR PHE LEU 0.459459 0.763636
64 THR LYS ASN TYR LYS GLN PHE SER VAL 0.457627 0.781818
65 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.453704 0.679245
66 ACE ASP ALA ASP GLU FTY LEU NH2 0.452991 0.631579
67 ASP ASP MET GLY PHE GLY LEU PHE ASP 0.448598 0.686275
68 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.448598 0.686275
69 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.448276 0.678571
70 SER SER ARG LYS GLU TYR TYR ALA 0.446429 0.719298
71 VAL ASN ASP ILE PHE GLU ALA ILE 0.446281 0.705882
72 SER ILE ILE ASN PHE GLU LYS LEU 0.442623 0.649123
73 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.44186 0.694915
74 SER GLN TYR TYR TYR ASN SER LEU 0.441441 0.777778
75 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.441379 0.6
76 ASP ALA ASP GLU FTY LEU NH2 0.440367 0.614035
77 PHE ARG TYR LEU GLY 0.435897 0.706897
78 SER GLN ASN TYR 0.435644 0.8
79 SEP GLN GLU TYR NH2 0.433962 0.745455
80 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.433566 0.661538
81 ALA TRP LEU PHE GLU ALA 0.433333 0.679245
82 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.433333 0.727273
83 LYS TYR LYS 0.431579 0.808511
84 GLU ILE ILE ASN PHE GLU LYS LEU 0.430894 0.636364
85 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.429487 0.641791
86 TYR SER THR CYS TYR PHE ILE MET 0.427419 0.714286
87 TYR ALA GLY SEP TPO ASP GLU ASN 0.426471 0.634921
88 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.426471 0.610169
89 ALA GLU THR PHE 0.425743 0.765957
90 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.425197 0.732143
91 CYS THR GLU LEU LYS LEU SER ASP TYR 0.421875 0.745455
92 ASP ALA GLU PHE ARG HIS ASP 0.421488 0.606557
93 PHE LEU SER TYR LYS 0.421053 0.759259
94 BD5 0.42 0.75
95 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.419847 0.661017
96 MET PHE SER ILE ASP ASN ILE LEU ALA 0.418605 0.627119
97 TYR GLU TRP 0.418182 0.816327
98 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.417808 0.651515
99 ALA LEU ASP LEU PHE 0.416667 0.680851
100 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.415929 0.730769
101 GLY ASN TYR SER PHE TYR ALA LEU 0.415254 0.714286
102 ACE PHE ASP GLU MET GLU GLU CYS 0.414414 0.679245
103 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.412844 0.755102
104 ALA ALA TRP LEU PHE GLU ALA 0.412698 0.679245
105 ASP GLU LEU GLU ILE LYS ALA TYR 0.412698 0.769231
106 TI2 0.412371 0.8
107 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.412214 0.722222
108 ILE ASP TRP PHE GLU GLY LYS GLU 0.411765 0.644068
109 ILE ASP TRP PHE ASP GLY LYS GLU 0.411765 0.672414
110 ALA TYR ARG 0.411765 0.685185
111 PCA PHE ARG HIS ASP SER 0.410853 0.622951
112 ACE ILE TYR GLU SER LEU 0.410714 0.735849
113 LYS ALC LYS 0.410526 0.702128
114 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.409722 0.711864
115 PHE LEU ALA TYR LYS 0.408696 0.8
116 VAL GLN GLN GLU SER SER PHE VAL MET 0.408333 0.649123
117 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.407143 0.683333
118 ACE LEU PHE PHE GLK CF0 GLU 0.405405 0.72
119 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.404412 0.688525
120 ILE ASN PHE ASP PHE ASN THR ILE 0.403509 0.764706
121 GLU THR LEU GLU ASP SER VAL PHE 0.401961 0.666667
122 PHE LEU GLU LYS 0.401869 0.68
123 GLU LEU ASP 1OL VAL GLU PHE 0.401575 0.770833
124 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.4 0.62069
125 TYR ASP GLN ILE LEU 0.4 0.795918
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5WRI; Ligand: ASP PHE GLU ASP TYR GLU PHE ASP; Similar sites found: 2
This union binding pocket(no: 1) in the query (biounit: 5wri.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4FAI PBD 0.01183 0.42071 1.25
2 5HJQ I3P 0.02709 0.40527 6.5625
Pocket No.: 2; Query (leader) PDB : 5WRI; Ligand: A3P; Similar sites found: 251
This union binding pocket(no: 2) in the query (biounit: 5wri.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MKY GDP 0.0006207 0.47432 0.9375
2 2RCN GDP 0.001434 0.4566 1.25
3 2XT3 ADP 0.0009128 0.48434 1.5625
4 5IRN ADP 0.0004707 0.42465 1.5625
5 2ZJ5 ADP 0.01849 0.4135 1.5625
6 4AG9 COA 0.01136 0.41272 1.81818
7 4PPF FLC 0.0001221 0.54098 1.875
8 2FAH GDP 0.001268 0.44459 1.875
9 2JK0 ASP 0.015 0.41836 1.875
10 2I4I AMP 0.007726 0.40534 1.875
11 2ZR9 DTP 0.0008468 0.40221 1.875
12 1M7G AV2 0.003396 0.42434 1.89573
13 1M7G ADX 0.009866 0.40285 1.89573
14 1PUJ GNP 0.005136 0.41699 2.12766
15 2XTN GTP 0.003439 0.41205 2.13675
16 4LJ9 ACP 0.003468 0.4379 2.1875
17 3RC3 ANP 0.004999 0.4349 2.1875
18 2OM2 GDP 0.001351 0.43096 2.1875
19 5KDO GDP 0.00169 0.42682 2.1875
20 1GP2 GDP 0.0009952 0.42619 2.1875
21 1GOT GDP 0.001783 0.42217 2.1875
22 2B8W ALF 5GP 0.002183 0.42209 2.1875
23 1Y3A GDP 0.002954 0.40726 2.1875
24 4JLV ADP 0.01895 0.40584 2.23048
25 3GJ3 GDP 0.002231 0.44725 2.26244
26 3GJ0 GDP 0.00309 0.44035 2.26244
27 3GJ5 GDP 0.003452 0.43336 2.26244
28 3GJ8 GDP 0.004598 0.42743 2.26244
29 4DKX GDP 0.0008829 0.46687 2.31481
30 5L3V GDP 0.001095 0.45216 2.34114
31 3BER AMP 0.002252 0.44705 2.40964
32 2DPY ADP 0.0003971 0.49642 2.5
33 4KBF AMP 0.00072 0.47698 2.5
34 3EC1 GDP 0.001015 0.45865 2.5
35 1OIV GDP 0.0006698 0.44554 2.5
36 1D2E GDP 0.001498 0.44131 2.5
37 3DZD ADP 0.00384 0.42273 2.5
38 3EWA ANP 0.009424 0.4167 2.5
39 1OIX GDP 0.006612 0.40334 2.5
40 1WDT GTP 0.007399 0.40275 2.5
41 3BFV ADP 0.001892 0.45074 2.58303
42 1SQ5 ADP 0.0002914 0.48441 2.5974
43 1A4R GNH 0.00569 0.41125 2.6178
44 1A4R GDP 0.007479 0.40255 2.6178
45 2WIC GNP 0.0007804 0.46407 2.62172
46 4WOP CTP 0.00186 0.42505 2.66667
47 2C04 GCP 0.007028 0.40717 2.6936
48 4B47 GDP 0.0007213 0.47693 2.8125
49 3DJE FSA 0.01183 0.42071 2.8125
50 1BRW URA 0.01849 0.41239 2.8125
51 4HSE ADP 0.0009933 0.40247 2.8125
52 5HR5 ADP 0.001941 0.40598 2.82486
53 1JI0 ATP 0.00463 0.44168 2.91667
54 2CBZ ATP 0.00125 0.47788 2.95359
55 1YVD GNP 0.00724 0.40167 2.95858
56 3B9Q MLI 0.005047 0.43829 2.98013
57 2GWH A3P 0.000008722 0.53622 3.02013
58 5L3S G 0.01159 0.42631 3.04054
59 5HCN GCP 0.003797 0.43139 3.06513
60 3LRE ADP 0.0008997 0.48876 3.125
61 4AG5 ADP 0.001554 0.46794 3.125
62 3E70 GDP 0.0009675 0.45964 3.125
63 1DAR GDP 0.001674 0.45332 3.125
64 1D2N ANP 0.001826 0.42538 3.125
65 4D81 ADP 0.001756 0.43817 3.18021
66 3BOS CDP 0.00205 0.44904 3.30579
67 1FZQ GDP 0.001481 0.45592 3.31492
68 1Q20 PLO 0.00003148 0.43033 3.34448
69 1Q20 A3P 0.00003148 0.43033 3.34448
70 2PL3 ADP 0.002647 0.44871 3.38983
71 1JJV ATP 0.000633 0.4897 3.39806
72 3W5J GDP 0.0002301 0.51867 3.43137
73 5GOE GDP 0.0008586 0.45706 3.4375
74 1G7S GDP 0.002552 0.4396 3.4375
75 3T1O GDP 0.002663 0.43422 3.53535
76 3CPJ GDP 0.001571 0.40447 3.58744
77 2B6N ALA PRO THR 0.01084 0.42446 3.59712
78 1O3Y GTP 0.003247 0.4131 3.61446
79 1XX6 ADP 0.00346 0.45189 3.66492
80 5KSP GDP 0.0003796 0.47896 3.68421
81 5KSZ GCP 0.001204 0.45023 3.75
82 1V8K ANP 0.006064 0.42606 3.75
83 1ZCB GDP 0.003664 0.41423 3.75
84 2J5V PCA 0.0465 0.40674 3.75
85 4WZ6 ATP 0.006941 0.43568 3.7931
86 4R2I ANP 0.004387 0.44288 3.80952
87 2QZ4 ADP 0.00299 0.43188 3.81679
88 1S8F GDP 0.0008765 0.45664 3.9548
89 2CHG ANP 0.001684 0.40794 3.9823
90 1Z0A GDP 0.001045 0.4531 4.02299
91 4YLG GDP 0.002514 0.4023 4.04624
92 3U6B GDP 0.000697 0.47768 4.0625
93 5GJC ATP 0.009467 0.4166 4.0625
94 5MZN ADP 0.02093 0.4079 4.0625
95 2ZPT A3P 0.00005112 0.52923 4.0678
96 3QVV 3QV 0.0000118 0.43702 4.0678
97 3QVV A3P 0.00001284 0.4309 4.0678
98 4QM7 GTP 0.002513 0.44473 4.09357
99 3LXR GDP 0.002804 0.43318 4.16667
100 4NON GDP 0.004871 0.41202 4.23077
101 2X77 GDP 0.003923 0.43071 4.2328
102 4PC3 GDP 0.0005511 0.46102 4.25532
103 4LYA ATP 0.004972 0.42581 4.29338
104 5FTB ANP 0.001608 0.4444 4.375
105 2VF7 ADP 0.002469 0.44028 4.375
106 1KY3 GDP 0.002039 0.40085 4.3956
107 4HI0 GDP 0.00101 0.43633 4.52261
108 1NST A3P 0.00003531 0.50927 4.6875
109 2CJW GDP 0.001241 0.45966 4.6875
110 4LX0 BEF GDP 0.003482 0.41675 4.6875
111 3EZ2 ADP 0.0142 0.41215 4.6875
112 2Z5F A3P 0.000005653 0.51926 4.69799
113 5GVR LMR 0.000172 0.54554 4.70085
114 1J99 AND 0.0001082 0.41046 4.77816
115 2D7C GTP 0.005178 0.40785 4.79042
116 2PZE ATP 0.004757 0.44549 4.80349
117 1H65 GDP 0.001644 0.42364 4.81482
118 3P13 RIP 0.03488 0.4047 4.86111
119 3RWO GDP 0.005203 0.40777 4.86486
120 2EFE GNH 0.003468 0.40139 4.86891
121 2ZFI ADP 0.007145 0.42258 4.91803
122 2VVG ADP 0.001055 0.48421 5
123 1GOJ ADP 0.00146 0.47479 5
124 5VGR GDP 0.001408 0.43822 5
125 5LB3 ADP 0.006548 0.42902 5
126 1XKV ATP 0.004247 0.42479 5
127 1Z06 GNP 0.002069 0.42308 5
128 1X8J A3P 0.00001094 0.41029 5
129 4ZNL BEF ADP 0.001511 0.45043 5.10949
130 2HT6 GDP 0.00174 0.45783 5.17241
131 3H4S ADP 0.0008184 0.48753 5.18518
132 1F9V ADP 0.001516 0.47035 5.3125
133 4PFO ADP 0.006685 0.40314 5.3125
134 2J59 GTP 0.004806 0.40595 5.35714
135 2BME GNP 0.002523 0.42111 5.37634
136 3BFX A3P 0.00002021 0.51418 5.40541
137 5SZH GNP 0.006527 0.4051 5.41872
138 1Y63 ADP 0.00056 0.40186 5.43478
139 5E5U MLI 0.01271 0.43458 5.52764
140 1FP6 ADP 0.001036 0.41086 5.53633
141 2OBM ADP 0.00148 0.47541 5.625
142 4LC1 GDP 0.0011 0.46222 5.625
143 1YTM ATP 0.005455 0.40513 5.625
144 3B5J 12D 0.004576 0.44194 5.76132
145 3WUR O4B 0.01347 0.40954 5.84795
146 2A9K GDP 0.0005856 0.45513 5.88235
147 5MEX SZZ 0.00002053 0.52899 5.90062
148 5MEX PAP 0.000003485 0.5214 5.90062
149 4V0K GDP 0.006608 0.40489 5.91716
150 1YQT ADP 0.0005166 0.49548 5.9375
151 1U8Z GDP 0.002187 0.4203 5.95238
152 5N69 ADP 0.002099 0.43465 6.03015
153 1LVG ADP 0.000525 0.49021 6.06061
154 3SFV GDP 0.001549 0.41999 6.07735
155 2J0V GDP 0.003829 0.43121 6.13208
156 1ION ADP 0.00225 0.43762 6.17284
157 1D5C GDP 0.001797 0.43351 6.17284
158 1ZRH A3P 0.0002381 0.46304 6.20438
159 4IEE AGS 0.01137 0.417 6.25
160 4PJ3 ANP 0.006558 0.41216 6.25
161 3NKV GNP 0.00445 0.4056 6.28571
162 2BCG GDP 0.003686 0.41593 6.31068
163 1G3Q ADP 0.0007109 0.466 6.32911
164 2WJG GDP 0.0005037 0.47874 6.38298
165 2QN6 GDP 0.000992 0.47002 6.45161
166 1G3M A3P 0.00001833 0.41351 6.46258
167 1G3M PCQ 0.00001833 0.41351 6.46258
168 4PX9 ADP 0.00075 0.47609 6.50685
169 1JJ7 ADP 0.000993 0.48322 6.53846
170 4R43 GDP 0.0002734 0.49167 6.5625
171 4DCT GDP 0.001482 0.45083 6.5625
172 3ZFD ANP 0.01299 0.40217 6.5625
173 1AQU A3P 0.000002668 0.51788 6.73401
174 1VG0 GDP 0.002608 0.43037 6.76329
175 1TQ4 GDP 0.0003352 0.45672 6.875
176 1W0J ADP 0.002754 0.4293 6.875
177 2ZPA ADP 0.004678 0.41142 6.875
178 1NY5 ADP 0.007705 0.40539 6.875
179 2BEK ATP 0.01077 0.4081 7.00389
180 1TU3 GNP 0.005918 0.40539 7.01754
181 1R2Q GNP 0.008826 0.40861 7.05882
182 5G41 AP5 0.01531 0.40787 7.17489
183 3IO3 ADP 0.00139 0.40039 7.5
184 1VG9 GDP 0.001929 0.44539 7.56757
185 2FH5 GTP 0.002125 0.42258 7.56757
186 3Q9L ATP 0.01457 0.40353 7.69231
187 1T8U A3P 0.00002019 0.49717 7.72059
188 1T8U UAP SGN IDS SGN 0.02868 0.41627 7.72059
189 4HDQ GNP 0.007124 0.40347 7.78443
190 2G77 GDP 0.001273 0.41406 8.08081
191 5TAR GDP 0.001725 0.43853 8.10811
192 2NGR GDP 0.006814 0.41929 8.11966
193 2FNA ADP 0.00136 0.42708 8.4375
194 4BQS ADP 0.001778 0.45205 8.52273
195 4QOS ADP 0.004031 0.42585 8.67924
196 1Z0K GTP 0.003791 0.40278 8.69565
197 1SVI GDP 0.001457 0.46167 8.71795
198 1G7C 5GP 0.00854 0.41879 8.75
199 1R6B ADP 0.008285 0.41524 8.75
200 3TW1 AHN 0.02056 0.41084 8.86076
201 5JCZ GDP 0.002219 0.42552 9.0625
202 3VX3 ADP 0.0033 0.40201 9.27419
203 5BQ5 ADP BEF 0.001029 0.45341 9.52381
204 1B7T ADP 0.009766 0.40795 9.61539
205 3GJ7 GDP 0.002606 0.44395 10.2041
206 2FSH ANP 0.01851 0.40636 10.3125
207 4CVN ADP 0.0005331 0.48986 10.4712
208 3N5C GDP 0.001313 0.45846 10.4938
209 3T5G GDP 0.001231 0.44978 10.4972
210 2A5J GDP 0.0005685 0.46537 10.9948
211 5UQW GDP 0.00249 0.41968 11.1111
212 1HFE CYS 0.01086 0.42384 11.3821
213 3MGB PAP 0.000002662 0.5325 11.5987
214 5KUT GDP 0.0008924 0.40297 11.6402
215 3IIJ ADP 0.0001664 0.50217 11.6667
216 1Z0F GDP 0.0003917 0.4783 11.7318
217 4R98 GNH 0.0002804 0.40777 11.8081
218 4YDS ATP 0.001964 0.4608 11.8421
219 1JWY GDP 0.001531 0.4042 11.875
220 4D0G GTP 0.004391 0.40584 12
221 4J0Q GDP 0.0003744 0.40068 12.5
222 3CYI ATP 0.01552 0.41514 12.7273
223 5H67 ATP 0.003101 0.43557 12.766
224 5UFQ GNP 0.003411 0.41042 13.1148
225 1KAO GDP 0.002354 0.4283 13.1737
226 3BD9 A3P 0.00001849 0.46395 13.2143
227 1NRJ GTP 0.004851 0.40731 13.2911
228 1ZJ6 G3D 0.002241 0.44229 13.369
229 1ZD9 GDP 0.001159 0.43778 14.3617
230 1VKJ A3P 0.0002403 0.45326 14.386
231 1I4D GDP 0.0022 0.45273 15.1042
232 1E96 GTP 0.005802 0.40576 15.1042
233 1S9D GDP 0.002773 0.43788 15.2709
234 3TKL GTP 0.005027 0.4068 15.3558
235 1G4U GDP 0.001213 0.43691 15.7609
236 1HE1 GDP 0.003087 0.41567 16.4773
237 4YMU ATP 0.004578 0.43681 18.3333
238 1UPT GTP 0.005991 0.4034 18.3333
239 5XCO GDP 0.0004043 0.42758 19.0476
240 1YZG GDP 0.002107 0.44356 21.229
241 1NVU GTP 0.005521 0.40821 24.0964
242 5E95 GDP 0.0007365 0.45071 24.4048
243 1WQ1 GDP 0.003321 0.41269 24.6988
244 3DDC GNP 0.007121 0.40348 24.6988
245 3KUD GDP 0.004437 0.40165 25.9259
246 3WY9 GDP 0.0005444 0.48304 28.125
247 4GOX A3P 0.000000001272 0.68173 28.754
248 2QEN ADP 0.001221 0.41424 29.0625
249 5WDR GNP 0.004035 0.41402 29.8246
250 4GBM A3P 0.0000000008776 0.67004 31.875
251 2HCJ GDP 0.0007697 0.47553 32.4324
Pocket No.: 3; Query (leader) PDB : 5WRI; Ligand: A3P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5wri.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5WRI; Ligand: ASP PHE GLU ASP TYR GLU PHE ASP; Similar sites found: 1
This union binding pocket(no: 4) in the query (biounit: 5wri.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DS0 A2G GAL NAG FUC 0.02082 0.4055 10.3125
Feedback