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Receptor
PDB id Resolution Class Description Source Keywords
1AQU 1.6 Å EC: 2.8.2.4 ESTROGEN SULFOTRANSFERASE WITH BOUND INACTIVE COFACTOR PAP AND 17-BETA ESTRADIOL MUS MUSCULUS TRANSFERASE PAP SULFOTRANSFERASE SULFONATION ESTROGEN 17-BETA ESTRADIOL STEROID-BINDING
Ref.: CRYSTAL STRUCTURE OF ESTROGEN SULPHOTRANSFERASE. NAT.STRUCT.BIOL. V. 4 904 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A3P A:301;
B:302;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
EST A:304;
B:303;
Valid;
Valid;
none;
none;
submit data
272.382 C18 H24 O2 C[C@]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AQU 1.6 Å EC: 2.8.2.4 ESTROGEN SULFOTRANSFERASE WITH BOUND INACTIVE COFACTOR PAP AND 17-BETA ESTRADIOL MUS MUSCULUS TRANSFERASE PAP SULFOTRANSFERASE SULFONATION ESTROGEN 17-BETA ESTRADIOL STEROID-BINDING
Ref.: CRYSTAL STRUCTURE OF ESTROGEN SULPHOTRANSFERASE. NAT.STRUCT.BIOL. V. 4 904 1997
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1AQU - EST C18 H24 O2 C[C@]12CC[....
2 1AQY - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1BO6 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (28)
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 2ZYU - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
19 2ZYV - NPO C6 H5 N O3 c1cc(ccc1[....
20 2ZYT - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
21 2ZVP - NPO C6 H5 N O3 c1cc(ccc1[....
22 2ZVQ - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
23 2ZYW - NPO C6 H5 N O3 c1cc(ccc1[....
24 2ZPT - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
25 2Z5F - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
26 1AQU - EST C18 H24 O2 C[C@]12CC[....
27 1AQY - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
28 1BO6 - 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: EST; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 EST 1 1
2 ECS 0.626866 0.916667
3 ESL 0.614286 0.916667
4 ESZ 0.597222 0.837838
5 ESM 0.597222 0.868421
6 6WV 0.582278 0.738095
7 6WW 0.582278 0.608696
8 J3Z 0.56338 0.882353
9 HE7 0.547619 0.846154
10 3WF 0.546667 0.942857
11 6WM 0.518072 0.885714
12 7FQ 0.505882 0.794872
13 E2B 0.467391 0.688889
14 7EE 0.465909 0.75
15 6WN 0.45977 0.763158
16 7FR 0.454545 0.622222
17 EED 0.451219 0.785714
18 EZT 0.412371 0.825
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1AQU; Ligand: A3P; Similar sites found with APoc: 544
This union binding pocket(no: 1) in the query (biounit: 1aqu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4R98 GNH None
2 2PL3 ADP None
3 2ZFZ ARG None
4 2F9L GDP None
5 1G8S MET 0.869565
6 2PZE ATP 0.873362
7 4LC1 GDP 1.0101
8 3TY3 GGG 1.0101
9 2BO4 FLC 1.0101
10 2CBZ ATP 1.26582
11 5KJW 53C 1.3468
12 1SKQ GDP 1.3468
13 1VHT BA3 1.37615
14 1JJV ATP 1.45631
15 3W5J GDP 1.47059
16 2QZ4 ADP 1.52672
17 4TL6 ANP 1.58103
18 2X77 GDP 1.5873
19 2ZFI ADP 1.6835
20 5WDR GNP 1.75439
21 1G16 GDP 1.76471
22 3BER AMP 2.00803
23 5YT0 GDP 2.0202
24 2GKS ADP 2.0202
25 1TAD ALF 2.0202
26 1TAD GDP 2.0202
27 1G6O ADP 2.0202
28 2RCN GDP 2.0202
29 4ZKD GDP 2.0202
30 4ZG4 VO4 ADP 2.0202
31 1ZRH A3P 2.18978
32 2WIC GNP 2.24719
33 2GDJ ANP 2.27273
34 1JJ7 ADP 2.30769
35 1BG2 ADP 2.3569
36 3LRE ADP 2.3569
37 1RRC ADP 2.3569
38 1W5T ADP 2.3569
39 1W5T ANP 2.3569
40 2J5V PCA 2.3569
41 4IDN GNP 2.3569
42 2IS6 ADP 2.3569
43 4WCX ALA 2.3569
44 4KBF AMP 2.3569
45 2WKQ GTP 2.3569
46 2BIF SIN 2.3569
47 2BIF ANP 2.3569
48 6G14 G4P 2.38095
49 2OFW ADX 2.40385
50 4WZ6 ATP 2.41379
51 1R0X ATP 2.44755
52 1VKJ A3P 2.45614
53 5J1J ANP 2.45614
54 4U00 ADP 2.45902
55 3BOS CDP 2.47934
56 4LPS GDP 2.47934
57 5GVR LMR 2.5641
58 1H65 GDP 2.59259
59 3B7G ANP 2.6087
60 4QOS ADP 2.64151
61 4PPF FLC 2.6936
62 5M04 GDP 2.6936
63 5H7J GCP 2.6936
64 6AU6 GDP 2.6936
65 5W75 GDP 2.6936
66 3MD0 GDP 2.6936
67 5MZN ADP 2.6936
68 1K6M AGS 2.6936
69 1Q19 SSC 2.6936
70 1IHU AF3 2.6936
71 1XKV ATP 2.6936
72 5H7K GDP 2.6936
73 1IHU ADP 2.6936
74 5IRN ADP 2.6936
75 3WYA GDP 2.6936
76 3DZD ADP 2.6936
77 1MKY GDP 2.6936
78 3WY9 GDP 2.6936
79 1G7S GDP 2.6936
80 3TBK ANP 2.7027
81 5XQL C2E 2.74914
82 4MKG AP5 2.76498
83 2PEZ DAT 2.7933
84 1TL2 NDG 2.9661
85 3UIE ANP 3
86 4AG5 ADP 3.0303
87 3NHB ADP 3.0303
88 5IRR GSP 3.0303
89 3DC4 ADP 3.0303
90 5ZXD ATP 3.0303
91 5LB3 ADP 3.0303
92 1R6B ADP 3.0303
93 5AK0 8V1 3.0303
94 4H1V GNP 3.0303
95 3Q9L ATP 3.07692
96 2O0J ADP 3.11688
97 1DAK ADP 3.125
98 1DAK DPU 3.125
99 1NRJ GTP 3.16456
100 3GJ3 GDP 3.16742
101 3GJ0 GDP 3.16742
102 3GJ4 GDP 3.16742
103 3GJ5 GDP 3.16742
104 5BQ5 ADP BEF 3.1746
105 1PUJ GNP 3.19149
106 1ZIN AP5 3.22581
107 3CH5 GDP 3.24074
108 4X8O AP5 3.27103
109 1ION ADP 3.29218
110 4FRZ ADP 3.367
111 2Y65 ADP 3.367
112 3ZS9 ADP ALF 3.367
113 2WOJ ADP ALF 3.367
114 5FG3 GDP 3.367
115 2C9O ADP 3.367
116 4PJ3 ANP 3.367
117 1V8K ANP 3.367
118 1QPB PYM 3.367
119 1TQ4 GDP 3.367
120 4J0Q GDP 3.367
121 1D2E GDP 3.367
122 1Z6T ADP 3.367
123 2C6Q NDP 3.367
124 1U0J ADP 3.37079
125 3B8I OXL 3.48432
126 5UIV ADP 3.52423
127 3T1O GDP 3.53535
128 5OEC GDP 3.5533
129 5G41 AP5 3.58744
130 1SVI GDP 3.58974
131 1NJF AGS 3.6
132 1NJF ADP 3.6
133 4NU0 AP5 3.68664
134 2AWN ADP 3.7037
135 3BD9 A3P 3.7037
136 4B47 GDP 3.7037
137 6B4K ANP 3.7037
138 3N5C GDP 3.7037
139 5OCG GNP 3.7037
140 2FSH ANP 3.7037
141 5UQW GDP 3.7037
142 5H68 AGS 3.7037
143 5MVR ADP 3.7037
144 4RZ3 ADP 3.72881
145 5TB5 GDP 3.78378
146 5TAR GDP 3.78378
147 1FP6 ADP 3.80623
148 2XTN GTP 3.84615
149 1FZQ GDP 3.8674
150 3T5G GDP 3.8674
151 3A1S GDP 3.87597
152 4XVU ATP 3.91304
153 4XTR ATP 3.91304
154 4XTR ADP 3.91304
155 6BSX GDP 3.93258
156 6BSX E7S 3.93258
157 5W7Q GDP 4.02145
158 2XT3 ADP 4.0404
159 2NCD ADP 4.0404
160 2DPY ADP 4.0404
161 1Y3A GDP 4.0404
162 4DCT GDP 4.0404
163 1SVK ALF GDP 4.0404
164 1BH2 GSP 4.0404
165 1YTM ATP 4.0404
166 2Q2Y ADP 4.0404
167 4NCN GTP 4.0404
168 2Q2Y MKR 4.0404
169 6FA4 GNP 4.04624
170 3DKP ADP 4.08163
171 1AKY AP5 4.09091
172 5URY PAM 4.10959
173 2VWT PYR 4.11985
174 4DKX GDP 4.16667
175 3FB4 AP5 4.16667
176 1Z2A GDP 4.16667
177 1U8Z GDP 4.16667
178 1YRB GDP 4.19847
179 4NON GDP 4.23077
180 2RI1 GLP 4.25532
181 1M7G ADX 4.2654
182 1M7G AV2 4.2654
183 3B6C SDN 4.2735
184 1ZJ6 G3D 4.27807
185 2BME GNP 4.30108
186 1YZN GNP 4.32432
187 3GJ8 GDP 4.34783
188 4E03 ADP 4.36893
189 3COB ADP 4.3771
190 1GOJ ADP 4.3771
191 2D7D ADP 4.3771
192 4WZA ADP 4.3771
193 1YQT ADP 4.3771
194 4WZA ACP 4.3771
195 1SQ5 ADP 4.3771
196 5YV5 ADP 4.3771
197 2BCG GDP 4.3771
198 3AB3 GDP 4.3771
199 4LJ9 ACP 4.3771
200 5BN3 ADP 4.3771
201 1ZCB GDP 4.3771
202 3CPJ GDP 4.3771
203 4FCW ADP 4.3771
204 3EZ2 ADP 4.3771
205 2D2F ADP 4.4
206 1ZC3 GNP 4.42478
207 2CDN ADP 4.47761
208 5NM7 GLY 4.51128
209 3B5J 12D 4.52675
210 1G3Q ADP 4.64135
211 4TTQ ATP 4.65116
212 5U32 GDP 4.66102
213 5LEF GTP 4.71204
214 1XP8 AGS 4.7138
215 4IHQ ADP 4.7138
216 3T34 GDP 4.7138
217 4TQK NAG 4.7138
218 2QEN ADP 4.7138
219 6F5W KG1 4.7138
220 1CLU DBG 4.81928
221 1VG1 GDP 4.86486
222 3RWO GDP 4.86486
223 1VG9 GDP 4.86486
224 3CX8 GSP 4.92611
225 2A9K GDP 4.93274
226 3CNL GNP 4.96183
227 3IIJ ADP 5
228 5BYK A3P 5.01931
229 5BYK OAQ 5.01931
230 2Y8E GNP 5.02793
231 4GOX A3P 5.05051
232 2VVG ADP 5.05051
233 4LYA ATP 5.05051
234 5KSZ GCP 5.05051
235 5W76 GDP 5.05051
236 3FWY ADP 5.05051
237 4R43 GDP 5.05051
238 5N17 8FK 5.07246
239 5Z2M GTP 5.11364
240 2GJ8 ALF GDP 5.23256
241 2FFQ GSP 5.26316
242 1YZQ GNP 5.29412
243 2CHG ANP 5.30973
244 3SBD GNP 5.34759
245 5LV1 78T 5.35714
246 2OG2 MLI 5.38721
247 3B9Q MLI 5.38721
248 1VBH PEP 5.38721
249 1KK1 GNP 5.38721
250 4WZ8 3W7 5.38721
251 3AQ4 GDP 5.43478
252 3HP8 SUC 5.45455
253 1S3G AP5 5.52995
254 1F6B GDP 5.55556
255 2V5K OXM 5.57491
256 1Z0F GDP 5.58659
257 6AIC AMP 5.60748
258 3PQC GDP 5.64103
259 4KFU ACP 5.66038
260 1HTW ADP 5.6962
261 4R2I ANP 5.71429
262 1RJ9 GCP 5.72391
263 1WF3 GNP 5.72391
264 2ZR9 DTP 5.72391
265 2ZJ5 ADP 5.72391
266 1OXV ANP 5.72391
267 1F9V ADP 5.72391
268 6DEF GCP 5.72391
269 5XDR ADP 5.72391
270 5G3Y ADP 5.75221
271 1XX6 ADP 5.75916
272 6C90 ADP 5.76923
273 2B8W ALF 5GP 5.79268
274 1VG8 GNP 5.7971
275 1VG0 GDP 5.7971
276 5KUT GDP 5.82011
277 1ZD9 GDP 5.85106
278 2WJG GDP 5.85106
279 5TIV A3P 5.92885
280 2IYL GDP 5.98592
281 1KAO GDP 5.98802
282 2FNA ADP 6.06061
283 5CK5 GDP 6.06061
284 5I34 GDP 6.06061
285 5GOE GDP 6.06061
286 4YJ1 ADP 6.06061
287 3EC1 GDP 6.06061
288 1NY5 ADP 6.06061
289 5EXT ADP 6.15385
290 4PYA 2X3 6.21118
291 2CJW GDP 6.25
292 1OIX GDP 6.28272
293 1XEX ATP 6.39535
294 1DAR GDP 6.39731
295 2WHX ADP 6.39731
296 1FNN ADP 6.39731
297 4HSE ADP 6.39731
298 3EWA ANP 6.39731
299 1EK0 GNP 6.47059
300 1R2Q GNP 6.47059
301 4PX9 ADP 6.50685
302 3Q85 GNP 6.50888
303 3MJH GTP 6.54762
304 4YDS ATP 6.57895
305 2WJH GDP 6.62651
306 2WJH FLC 6.62651
307 5O74 GDP 6.66667
308 4WOP CTP 6.66667
309 5JCZ GDP 6.70391
310 5WRJ A3P 6.73401
311 5WRI A3P 6.73401
312 1F5N GNP 6.73401
313 1WA5 GTP 6.73401
314 3E5H GNP 6.74157
315 1X1R GDP 6.74157
316 4LX0 BEF GDP 6.77966
317 3NKV GNP 6.85714
318 2HT6 GDP 6.89655
319 2W58 ADP 6.93069
320 4C4P GNP 6.93642
321 2HV8 GTP 6.97674
322 2KIN ADP 7
323 4QM7 GTP 7.01754
324 3IUY AMP 7.01754
325 1W0J ADP 7.07071
326 5HR5 ADP 7.07071
327 4WBD CIT 7.07071
328 1M2O GNP 7.07071
329 4RD0 GDP 7.07071
330 3WXM GTP 7.07071
331 2D7C GTP 7.18563
332 1B0U ATP 7.25191
333 4YMU ATP 7.27273
334 1RE0 GDP 7.31707
335 1S9D GDP 7.31707
336 4P4T GDP 7.40741
337 1QF5 RPL 7.40741
338 1QF5 GDP 7.40741
339 3GJX GTP 7.40741
340 3IO3 ADP 7.40741
341 1CS4 GSP 7.55556
342 5UPK GNP 7.56757
343 1NST A3P 7.74411
344 6A20 ADP 7.74411
345 5VGR GDP 7.74411
346 5U97 PIT 7.74411
347 2XTZ GSP 7.74411
348 5ZBR ANP 7.74411
349 2I4I AMP 7.74411
350 4V03 ADP 7.7821
351 2BEK ATP 7.7821
352 4TMZ GSP 7.82609
353 3Q72 GNP 7.83133
354 4MKF AP5 7.8341
355 5KSP GDP 7.89474
356 2ZTS ADP 7.96813
357 5XKT GNP 8
358 5HCN GCP 8.04598
359 2HCJ GDP 8.08081
360 3U6K GDP 8.08081
361 4D0N GDP 8.08081
362 2BVN GNP 8.08081
363 4P3Y GDP 8.08081
364 3U6B GDP 8.08081
365 5JBQ GDP 8.08081
366 1D8T GDP 8.08081
367 4G5G GDP 8.08081
368 4PC3 GDP 8.08081
369 3GJ7 GDP 8.16327
370 2EFE GNH 8.2397
371 3RAB GNP 8.28402
372 5E5U MLI 8.33333
373 4ZNL BEF ADP 8.39416
374 3TTM PUT 8.41751
375 5M7P ADP 8.41751
376 5IFS ADP 8.43882
377 6CRK GDP 8.4507
378 3VX3 ADP 8.46774
379 3LN9 FLC 8.63309
380 1OYY AGS 8.75421
381 1KY3 GDP 8.79121
382 1I4D GDP 8.85417
383 2FH5 GTP 8.8785
384 2J0V GDP 8.96226
385 3GDN FAD 9.09091
386 4BQS ADP 9.09091
387 5L3V GDP 9.09091
388 1UAD GNP 9.09091
389 2C78 GNP 9.09091
390 2C77 GNP 9.09091
391 5K5Z ANP 9.09091
392 1MH1 GNP 9.13978
393 1G4U GDP 9.23913
394 3TMK T5A 9.25926
395 3ZQ6 ADP ALF 9.42761
396 3VMF GTP 9.42761
397 5L3R GCP 9.42761
398 4NE2 SH2 9.42761
399 3KJI ADP 9.44882
400 1LVG ADP 9.59596
401 1S8F GDP 9.60452
402 1HE1 GDP 9.65909
403 1P9B HDA 9.76431
404 1P9B GDP 9.76431
405 1Y63 ADP 9.78261
406 5L3S GNP 9.7973
407 2CK3 ANP 10
408 2V7Q ADP 10
409 2V7Q ATP 10
410 1JI0 ATP 10
411 3ZFD ANP 10.101
412 2RGX AP5 10.1942
413 1NF3 GNP 10.2564
414 4DID GDP 10.3627
415 4YLG GDP 10.4046
416 1DS6 GDP 10.4167
417 1GRN GDP 10.4712
418 2NGR GDP 10.4712
419 2G77 GDP 10.6061
420 3DEF GDP 10.687
421 1XMV ADP 10.7744
422 2A5J GDP 10.9948
423 4A4Z ANP 11.1111
424 1Z06 GNP 11.1111
425 3A4M ADP 11.1538
426 3TKL GTP 11.236
427 4KVG GTP 11.3095
428 1E96 GTP 11.33
429 3X1Z GNP 11.3772
430 4HDO GNP 11.3772
431 1GUA GNP 11.3772
432 4HDQ GNP 11.3772
433 1D2N ANP 11.3971
434 5L3W GDP 11.4379
435 2OBM ADP 11.4478
436 5TSH ADP 11.7845
437 5TSH ANP 11.7845
438 1GP2 GDP 11.7845
439 2CE7 ADP 11.7845
440 3BFV ADP 11.8081
441 3TK1 GDP 12.1212
442 4JLV ADP 12.2677
443 1YZG GDP 12.2905
444 2HF9 GSP 12.3894
445 3E70 GDP 12.4579
446 5FTB ANP 12.4579
447 1IBR GNP 12.4579
448 4BAS GNP 12.5628
449 5BXQ GDP 12.5984
450 3TNF GNP 12.6437
451 4LHW GNP 12.6437
452 3QBT GNP 12.6437
453 1Z0A GDP 12.6437
454 2FAH GDP 12.7946
455 4HI0 GDP 13.0653
456 3WYG GTP 13.1313
457 5DI9 GNP 13.1313
458 5UWH GNP 13.1313
459 5UWJ GNP 13.1313
460 3M1I GTP 13.1313
461 5UWR GNP 13.1313
462 5UWQ GNP 13.1313
463 5UWO GNP 13.1313
464 5UWS GNP 13.1313
465 5UWU GNP 13.1313
466 4HAT GNP 13.1313
467 3WYF GTP 13.1313
468 5UWI GNP 13.1313
469 5DIF GNP 13.1313
470 6CIT GNP 13.1313
471 5DHF GNP 13.1313
472 1OW3 GDP 13.4715
473 2ODE ALF GDP 13.4752
474 5IRC GDP 13.9785
475 5HPY GDP 14.0541
476 3LXR GDP 14.0541
477 3H4S ADP 14.0741
478 1KMQ GNP 14.1304
479 4XOI GTP 14.4444
480 2C5L GTP 14.4509
481 4IEE AGS 14.4781
482 3ITJ CIT 14.4781
483 4K81 GTP 14.6199
484 1TX4 ALF GDP 14.6893
485 1FQJ GDP 14.966
486 1FQK GDP 14.966
487 1LFD GNP 14.9701
488 6D5V GNP 14.9701
489 6D5E GNP 14.9701
490 6D5H GNP 14.9701
491 6BVM GNP 14.9701
492 6BVL GNP 14.9701
493 6BVK GNP 14.9701
494 6D56 GNP 14.9701
495 6D5L GNP 14.9701
496 6D5M GNP 14.9701
497 6D59 GNP 14.9701
498 6BVJ GNP 14.9701
499 6BVI GNP 14.9701
500 6D55 GNP 14.9701
501 6D5J GNP 14.9701
502 6D5G GNP 14.9701
503 1WQ1 GDP 15.0602
504 2UZI GTP 15.0602
505 3KUD GDP 15.0602
506 3DDC GNP 15.0602
507 1NVV GNP 15.0602
508 1D5C GDP 15.4321
509 1Z0K GTP 15.942
510 1IWE IMP 16.1616
511 1GXU 2HP 16.4835
512 2GK6 ADP 16.4983
513 4CVN ADP 16.7539
514 1T5C ADP 16.835
515 2W2X GSP 16.9355
516 3BC1 GNP 16.9492
517 1G6H ADP 17.1206
518 2QN6 GDP 17.2043
519 5H67 ATP 17.5
520 1KK8 BEF ADP 17.5325
521 3VPD BUA 17.7936
522 5SZH GNP 18.2266
523 1Z0J GTP 18.2353
524 1YVD GNP 18.3432
525 4GBM A3P 18.8552
526 5O2T GSP 19.2513
527 3N29 GOL 19.5286
528 4D0G GTP 20.2899
529 3ZIA ATP 20.6349
530 3ZIA ADP 20.6349
531 4ITR GDP 21.8855
532 1T8U UAP SGN IDS SGN 22.4265
533 1T8U A3P 22.4265
534 1GOT GDP 24.6575
535 5WLB GNP 26.4706
536 5UWP GNP 31.5789
537 3MGB PAP 32.6599
538 2OM2 GDP 33.3333
539 5UWT GNP 34.7826
540 5UWW GNP 38.0952
541 1TU3 GNP 40.5063
542 5MEX SZZ 44.1077
543 5MEX PAP 44.1077
544 2QTV GNP 44.898
Pocket No.: 2; Query (leader) PDB : 1AQU; Ligand: EST; Similar sites found with APoc: 11
This union binding pocket(no: 2) in the query (biounit: 1aqu.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4V24 GYR 2.3569
2 5GZK BGC 2.6936
3 5E58 CPZ 3.367
4 3WIR BGC 3.7037
5 5Y4K AKR 4.4226
6 1OI6 TMP 4.87805
7 4L4V 1VY 6.12245
8 1UH4 GLC GLC GLC 6.73401
9 5Y02 MXN 7.47664
10 4JX1 CAH 14.1593
11 3EM0 CHD 16.6667
Pocket No.: 3; Query (leader) PDB : 1AQU; Ligand: EST; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 1aqu.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5AAN XOC 3.74332
2 1QFT HSM 5.14286
3 1OC2 NAD 5.72391
4 1OC2 TDX 5.72391
5 4JX1 CAM 14.1593
6 1O69 X04 14.4781
Pocket No.: 4; Query (leader) PDB : 1AQU; Ligand: A3P; Similar sites found with APoc: 18
This union binding pocket(no: 4) in the query (biounit: 1aqu.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4EYG VNL 1.6835
2 4ITM ATP 3.0303
3 3QDK QDK 4.0404
4 1KC7 PPR 4.7138
5 4QOM PYG 5.05051
6 5NCB JZ3 5.72391
7 3RC3 ANP 5.72391
8 1AOE NDP 5.72917
9 1AOE GW3 5.72917
10 1LVK MNT BEF 6.39731
11 1Z08 GNP 6.47059
12 5N69 ADP 8.08081
13 3GDN HBX 9.09091
14 4YC7 GNP 11.0497
15 5KK4 44E 14.5833
16 2XZ9 PYR 17.1717
17 1B7T ADP 17.3077
18 4PFO ADP 23.569
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