Receptor
PDB id Resolution Class Description Source Keywords
3BD9 2.3 Å EC: 2.8.2.23 HUMAN 3-O-SULFOTRANSFERASE ISOFORM 5 WITH BOUND PAP HOMO SAPIENS 3-O-SULFOTRANSFERASE HEPARAN SULFATE HEPARAN SULFATE BIOSYNTHESIS SUBSTRATE SPECIFICITY GLYCOPROTEIN GOLGI APPARATUS MEMBRANE SIGNAL-ANCHOR TRANSMEMBRANE
Ref.: ENGINEERING SULFOTRANSFERASES TO MODIFY HEPARAN SULFATE. NAT.CHEM.BIOL. V. 4 200 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A3P A:347;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BD9 2.3 Å EC: 2.8.2.23 HUMAN 3-O-SULFOTRANSFERASE ISOFORM 5 WITH BOUND PAP HOMO SAPIENS 3-O-SULFOTRANSFERASE HEPARAN SULFATE HEPARAN SULFATE BIOSYNTHESIS SUBSTRATE SPECIFICITY GLYCOPROTEIN GOLGI APPARATUS MEMBRANE SIGNAL-ANCHOR TRANSMEMBRANE
Ref.: ENGINEERING SULFOTRANSFERASES TO MODIFY HEPARAN SULFATE. NAT.CHEM.BIOL. V. 4 200 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3BD9 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3BD9 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1VKJ Kd = 14 uM A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 1ZRH - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1T8T - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1T8U - UAP SGN IDS SGN n/a n/a
4 3BD9 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
5 3UAN - NGY BDP SGN IDS SGN BDP n/a n/a
6 1VKJ Kd = 14 uM A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A3P; Similar ligands found: 434
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 45A 0.594937 0.916667
14 A2D 0.594937 0.943662
15 ADP 0.592593 0.971429
16 SRA 0.589744 0.917808
17 A A 0.586957 0.943662
18 9BG 0.586538 0.894737
19 RAB 0.585714 0.816901
20 ADN 0.585714 0.816901
21 XYA 0.585714 0.816901
22 AN2 0.585366 0.957747
23 A22 0.58427 0.957747
24 PUA 0.583333 0.883117
25 0WD 0.580952 0.894737
26 A12 0.580247 0.931507
27 AP2 0.580247 0.931507
28 BA3 0.580247 0.943662
29 ATP A 0.578947 0.929577
30 ATP A A A 0.578947 0.929577
31 25A 0.577778 0.971429
32 AGS 0.576471 0.918919
33 SAP 0.576471 0.918919
34 AP5 0.573171 0.943662
35 B4P 0.573171 0.943662
36 ATP 0.571429 0.971429
37 HEJ 0.571429 0.971429
38 OVE 0.56962 0.90411
39 7D3 0.567901 0.90411
40 AT4 0.566265 0.931507
41 5FA 0.564706 0.971429
42 APC 0.564706 0.931507
43 2A5 0.564706 0.917808
44 AQP 0.564706 0.971429
45 V3L 0.563218 0.971429
46 APU 0.563107 0.918919
47 PAX 0.5625 0.85
48 ETB 0.559633 0.809524
49 DCA 0.559633 0.8
50 M33 0.559524 0.930556
51 AU1 0.559524 0.944444
52 CA0 0.559524 0.917808
53 ADX 0.559524 0.848101
54 LQJ 0.556701 0.943662
55 A2R 0.555556 0.957747
56 HQG 0.555556 0.957747
57 KG4 0.552941 0.917808
58 ACP 0.552941 0.944444
59 50T 0.552941 0.930556
60 COA 0.54955 0.8
61 0T1 0.54955 0.8
62 ADP MG 0.547619 0.942857
63 AR6 0.546512 0.943662
64 PRX 0.546512 0.891892
65 APR 0.546512 0.943662
66 ACQ 0.545455 0.944444
67 T99 0.545455 0.931507
68 TAT 0.545455 0.931507
69 DA 0.54321 0.902778
70 D5M 0.54321 0.902778
71 7D4 0.541176 0.90411
72 ADV 0.54023 0.905405
73 RBY 0.54023 0.905405
74 AD9 0.54023 0.944444
75 ADQ 0.537634 0.917808
76 COS 0.535088 0.781609
77 30N 0.535088 0.731183
78 CAO 0.535088 0.772727
79 AMX 0.535088 0.809524
80 SCO 0.530435 0.8
81 CMX 0.530435 0.8
82 SON 0.529412 0.931507
83 GAP 0.52809 0.891892
84 ANP 0.52809 0.944444
85 7D7 0.527778 0.763889
86 6YZ 0.527473 0.944444
87 5N5 0.527027 0.791667
88 OOB 0.526882 0.930556
89 NA7 0.526316 0.931507
90 ACO 0.525862 0.772727
91 FCX 0.525862 0.772727
92 FAM 0.525862 0.781609
93 ADP PO3 0.522727 0.942857
94 ATP MG 0.522727 0.942857
95 APC MG 0.522727 0.916667
96 5AL 0.522222 0.930556
97 8LE 0.522222 0.893333
98 HAX 0.521368 0.781609
99 J4G 0.520833 0.918919
100 A4D 0.52 0.791667
101 5CD 0.52 0.802817
102 LMS 0.518519 0.825
103 FYN 0.516949 0.8
104 3KK 0.516949 0.781609
105 ATF 0.516484 0.931507
106 8LQ 0.516129 0.905405
107 DLL 0.515789 0.930556
108 00A 0.515789 0.881579
109 DTA 0.512821 0.783784
110 KGP 0.512605 0.708333
111 CA6 0.512605 0.708333
112 YZS 0.512605 0.708333
113 SOP 0.512605 0.781609
114 MCD 0.512605 0.781609
115 COK 0.512605 0.781609
116 OXK 0.512605 0.781609
117 8LH 0.51087 0.905405
118 ADP VO4 0.51087 0.930556
119 VO4 ADP 0.51087 0.930556
120 SRP 0.51087 0.905405
121 9ZA 0.510638 0.906667
122 9ZD 0.510638 0.906667
123 OZV 0.510638 0.943662
124 ADP BMA 0.510417 0.891892
125 25L 0.510204 0.957747
126 G A A A 0.509091 0.87013
127 A C A C 0.508929 0.846154
128 CMC 0.508333 0.781609
129 CO6 0.508333 0.781609
130 NMX 0.508333 0.73913
131 1VU 0.508333 0.772727
132 MTA 0.506329 0.77027
133 A3G 0.506024 0.773333
134 PAJ 0.505263 0.858974
135 A U 0.504673 0.868421
136 CAJ 0.504132 0.781609
137 2MC 0.504132 0.747253
138 SCD 0.504132 0.8
139 IVC 0.5 0.790698
140 1HE 0.5 0.764045
141 BCO 0.5 0.781609
142 3HC 0.5 0.790698
143 FYA 0.5 0.90411
144 KGJ 0.5 0.731183
145 MLC 0.5 0.781609
146 3OD 0.5 0.917808
147 A1S 0.5 0.781609
148 EP4 0.5 0.75
149 PTJ 0.5 0.894737
150 ALF ADP 0.5 0.868421
151 ADP ALF 0.5 0.868421
152 MAP 0.5 0.918919
153 MCA 0.495935 0.772727
154 YE1 0.495935 0.790698
155 COO 0.495935 0.781609
156 LCV 0.495935 0.701031
157 CAA 0.495935 0.790698
158 SO5 0.495935 0.701031
159 U A C C 0.495575 0.857143
160 A G 0.495495 0.881579
161 OAD 0.494845 0.917808
162 3UK 0.494845 0.917808
163 9X8 0.494845 0.893333
164 5SV 0.494737 0.846154
165 8QN 0.494737 0.930556
166 6RE 0.493976 0.75641
167 101 0.493976 0.902778
168 3DH 0.493827 0.77027
169 M2T 0.493671 0.730769
170 5AD 0.493151 0.742857
171 YXS 0.491935 0.708333
172 MC4 0.491935 0.73913
173 SCA 0.491935 0.781609
174 2CP 0.491935 0.772727
175 YXR 0.491935 0.708333
176 U A G G 0.491071 0.881579
177 WAQ 0.489796 0.881579
178 B5V 0.489796 0.905405
179 A1R 0.489583 0.881579
180 AMO 0.489583 0.905405
181 4AD 0.489583 0.893333
182 A3R 0.489583 0.881579
183 AOC 0.488095 0.819444
184 IRC 0.488 0.790698
185 HGG 0.488 0.781609
186 CA8 0.488 0.708333
187 COW 0.488 0.772727
188 COF 0.488 0.764045
189 KFV 0.488 0.715789
190 BYC 0.488 0.781609
191 1GZ 0.488 0.772727
192 KGA 0.488 0.723404
193 2KQ 0.488 0.764045
194 3CP 0.488 0.781609
195 Y3J 0.486842 0.722222
196 FA5 0.485149 0.905405
197 B5Y 0.485149 0.893333
198 1ZZ 0.484848 0.8375
199 AHX 0.484536 0.87013
200 DAL AMP 0.484211 0.90411
201 4CA 0.484127 0.772727
202 FAQ 0.484127 0.781609
203 BCA 0.484127 0.772727
204 AV2 0.483871 0.916667
205 DAT 0.483146 0.90411
206 5X8 0.483146 0.76
207 5AS 0.482759 0.776471
208 APC G U 0.482456 0.857143
209 ANZ 0.480769 0.820513
210 3AD 0.480519 0.828571
211 HXC 0.480315 0.764045
212 GRA 0.480315 0.781609
213 3AT 0.478261 0.971429
214 A3S 0.477273 0.783784
215 TGC 0.476562 0.772727
216 9SN 0.475248 0.87013
217 PR8 0.474747 0.848101
218 LAD 0.474747 0.858974
219 CIC 0.472868 0.781609
220 2NE 0.472868 0.764045
221 N9V 0.472868 0.772727
222 S0N 0.472868 0.781609
223 CCQ 0.472868 0.747253
224 1CZ 0.472868 0.772727
225 CO8 0.472868 0.764045
226 A5D 0.472527 0.783784
227 B5M 0.470588 0.893333
228 DSH 0.470588 0.721519
229 YAP 0.470588 0.893333
230 ME8 0.47 0.8375
231 NB8 0.47 0.87013
232 BIS 0.47 0.906667
233 TXA 0.47 0.905405
234 0FQ 0.469231 0.781609
235 DCC 0.469231 0.764045
236 4CO 0.469231 0.772727
237 MYA 0.469231 0.764045
238 MFK 0.469231 0.764045
239 ST9 0.469231 0.764045
240 5F9 0.469231 0.764045
241 UCC 0.469231 0.764045
242 A3T 0.466667 0.794521
243 U A A U 0.466667 0.906667
244 COA FLC 0.466102 0.767442
245 01A 0.465649 0.747253
246 0ET 0.465649 0.764045
247 TM1 0.465347 0.792683
248 IMO 0.465116 0.928571
249 J7C 0.465116 0.766234
250 AS 0.465116 0.855263
251 PO4 PO4 A A A A PO4 0.464646 0.928571
252 ZAS 0.464286 0.763158
253 DTP 0.462366 0.90411
254 DQV 0.462264 0.930556
255 1CV 0.462121 0.781609
256 WCA 0.462121 0.764045
257 CS8 0.462121 0.755556
258 4UV 0.461538 0.893333
259 NJP 0.460177 0.918919
260 S4M 0.45977 0.662791
261 NHM 0.458647 0.764045
262 HDC 0.458647 0.764045
263 NHW 0.458647 0.764045
264 UOQ 0.458647 0.764045
265 4KX 0.458647 0.755556
266 LAQ 0.457944 0.8375
267 JB6 0.455446 0.881579
268 NDP 0.455357 0.894737
269 NPW 0.455357 0.860759
270 MRS 0.455224 0.764045
271 MRR 0.455224 0.764045
272 HFQ 0.455224 0.764045
273 UPA 0.454545 0.881579
274 MAO 0.454545 0.756098
275 GGZ 0.453608 0.822785
276 NEC 0.453488 0.72
277 AFH 0.45283 0.858974
278 4UU 0.45283 0.893333
279 NHQ 0.452555 0.790698
280 XAH 0.451923 0.8375
281 J5H 0.451852 0.781609
282 DAK 0.451852 0.755556
283 YNC 0.451852 0.772727
284 G5A 0.451613 0.776471
285 SAH 0.451613 0.74026
286 MYR AMP 0.45098 0.814815
287 2VA 0.450549 0.773333
288 SFG 0.450549 0.746667
289 H1Q 0.450549 0.902778
290 4UW 0.449541 0.858974
291 8Z2 0.448529 0.755556
292 A3N 0.448276 0.76
293 A U C C 0.448 0.846154
294 AMP DBH 0.447619 0.866667
295 TYR AMP 0.447619 0.868421
296 V1N 0.447619 0.916667
297 QQY 0.447059 0.837838
298 ACK 0.447059 0.885714
299 103 0.447059 0.861111
300 3NZ 0.445545 0.75641
301 TYM 0.445455 0.905405
302 A G U 0.445312 0.8375
303 A7D 0.444444 0.773333
304 XNP 0.443478 0.871795
305 G3A 0.443396 0.894737
306 GJV 0.443182 0.746835
307 6MZ 0.443182 0.929577
308 9K8 0.441176 0.711111
309 NVA 2AD 0.44086 0.734177
310 SA8 0.44086 0.703704
311 48N 0.440367 0.87013
312 YLP 0.440367 0.817073
313 WMP 0.439655 0.864865
314 G5P 0.439252 0.894737
315 AR6 AR6 0.439252 0.916667
316 GA7 0.439252 0.88
317 G3D 0.438776 0.905405
318 TSB 0.438776 0.795181
319 D3Y 0.438776 0.763158
320 TXP 0.438596 0.894737
321 ZZB 0.438596 0.792683
322 NZQ 0.438596 0.883117
323 A5A 0.4375 0.804878
324 N5O 0.436782 0.736842
325 NAI 0.436364 0.881579
326 UP5 0.436364 0.893333
327 NAX 0.436364 0.848101
328 DND 0.436364 0.905405
329 NXX 0.436364 0.905405
330 SAI 0.43617 0.730769
331 VRT 0.43617 0.74359
332 SO8 0.43617 0.763158
333 1HA 0.435714 0.764045
334 A6D 0.435644 0.719512
335 QQX 0.435294 0.826667
336 TAD 0.435185 0.858974
337 GTA 0.435185 0.860759
338 ODP 0.434783 0.883117
339 SSA 0.43299 0.776471
340 SMM 0.43299 0.682353
341 01K 0.432624 0.781609
342 OMR 0.432432 0.82716
343 DDS 0.431579 0.876712
344 139 0.429825 0.848101
345 F8G 0.429577 0.731183
346 COT 0.429577 0.781609
347 AP0 0.428571 0.87013
348 CC5 0.428571 0.814286
349 A G U U 0.428571 0.8375
350 52H 0.428571 0.776471
351 VMS 0.428571 0.785714
352 54H 0.428571 0.785714
353 4TC 0.428571 0.87013
354 DZD 0.42735 0.858974
355 LPA AMP 0.427273 0.814815
356 EEM 0.427083 0.686747
357 AAT 0.427083 0.703704
358 N5A 0.426966 0.710526
359 7MD 0.425926 0.8375
360 ARG AMP 0.425926 0.82716
361 3D1 0.425 0.77027
362 3L1 0.425 0.77027
363 5CA 0.424242 0.776471
364 8X1 0.424242 0.75
365 53H 0.424242 0.776471
366 MHZ 0.423913 0.694118
367 CA3 0.423611 0.781609
368 6V0 0.423423 0.87013
369 TXD 0.423423 0.881579
370 1DG 0.422764 0.894737
371 DG1 0.422764 0.894737
372 TAP 0.422764 0.906667
373 38Y 0.422414 0.804878
374 IOT 0.421053 0.829268
375 U A 0.420168 0.906667
376 TXE 0.419643 0.881579
377 S7M 0.418367 0.686747
378 AHZ 0.418182 0.814815
379 P5A 0.417476 0.741573
380 T5A 0.417391 0.817073
381 SAM 0.416667 0.686747
382 7MC 0.415929 0.817073
383 F0P 0.415929 0.725
384 CPA 0.415929 0.825
385 YLC 0.415929 0.8375
386 YLB 0.415929 0.817073
387 NSS 0.415842 0.776471
388 LSS 0.415842 0.758621
389 DSZ 0.415842 0.776471
390 AAM 0.41573 0.971014
391 8PZ 0.415094 0.776471
392 NAP 0.414634 0.944444
393 KOY 0.414414 0.8
394 OZP 0.414414 0.725
395 CNA 0.413793 0.905405
396 SP1 0.413793 0.864865
397 RP1 0.413793 0.864865
398 A4P 0.412281 0.819277
399 NVA LMS 0.411765 0.75
400 YSA 0.411215 0.776471
401 8BR 0.411111 0.905405
402 F2R 0.410256 0.839506
403 5J9 0.409524 0.728395
404 CA5 0.409396 0.747253
405 ITT 0.408602 0.915493
406 NA0 0.408 0.931507
407 LEU LMS 0.407767 0.75
408 HMG 0.407407 0.75
409 AF3 ADP 3PG 0.40708 0.835443
410 NAD 0.40678 0.930556
411 COD 0.40678 0.788235
412 UCA 0.406667 0.764045
413 93P 0.406667 0.772727
414 CMP 0.406593 0.927536
415 2BA 0.406593 0.942029
416 71V 0.406593 0.881579
417 6C6 0.40625 0.88
418 GEK 0.405941 0.734177
419 12D 0.405405 0.783133
420 YLA 0.405172 0.817073
421 ADJ 0.405172 0.82716
422 KAA 0.403846 0.75
423 GSU 0.403846 0.776471
424 BT5 0.403361 0.829268
425 3GP 0.402174 0.891892
426 6IA 0.402062 0.835443
427 0UM 0.401961 0.695122
428 AYB 0.401709 0.807229
429 M24 0.401639 0.848101
430 COA PLM 0.40146 0.733333
431 PLM COA 0.40146 0.733333
432 80F 0.4 0.817073
433 J7V 0.4 0.809524
434 A3D 0.4 0.917808
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BD9; Ligand: A3P; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3bd9.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1NST A3P 46.0714
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