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Receptor
PDB id Resolution Class Description Source Keywords
2Z5F 2.1 Å EC: 2.8.2.- HUMAN SULFOTRANSFERASE SULT1B1 IN COMPLEX WITH PAP HOMO SAPIENS SULT SULFOTRANSFERASE PAP STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC
Ref.: CRYSTAL STRUCTURES OF HUMAN SULFOTRANSFERASES SULT1B1 AND SULT1C1 COMPLEXED WITH THE COFACTOR PRODUCT ADENOSINE-3'-5'-DIPHOSPHATE (PAP) PROTEINS V. 64 1091 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A3P A:701;
A:702;
Valid;
Valid;
none;
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
2Z5F 2.1 Å EC: 2.8.2.- HUMAN SULFOTRANSFERASE SULT1B1 IN COMPLEX WITH PAP HOMO SAPIENS SULT SULFOTRANSFERASE PAP STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC
Ref.: CRYSTAL STRUCTURES OF HUMAN SULFOTRANSFERASES SULT1B1 AND SULT1C1 COMPLEXED WITH THE COFACTOR PRODUCT ADENOSINE-3'-5'-DIPHOSPHATE (PAP) PROTEINS V. 64 1091 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2Z5F - 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Z5F; Ligand: A3P; Similar sites found with APoc: 554
This union binding pocket(no: 1) in the query (biounit: 2z5f.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5H68 AGS None
2 4WOP CTP None
3 2Q2Y MKR 1.00671
4 2Q2Y ADP 1.00671
5 4DKX GDP 1.38889
6 1R0X ATP 1.3986
7 5LEF GTP 1.57068
8 1JI0 ATP 1.66667
9 2Y8E GNP 1.67598
10 3COB ADP 1.67785
11 3B9Q MLI 1.67785
12 3WY9 GDP 1.67785
13 3WYA GDP 1.67785
14 2C9O ADP 1.67785
15 6F5W KG1 1.67785
16 2VDY HCY 1.67785
17 4H1V GNP 1.67785
18 4BQS K2Q 1.70455
19 4BQS ADP 1.70455
20 2FFQ GSP 1.75439
21 1YZQ GNP 1.76471
22 3X1Z GNP 1.79641
23 2VVG ADP 2.01342
24 2OG2 MLI 2.01342
25 5FG3 GDP 2.01342
26 5H7K GDP 2.01342
27 5W7Q GDP 2.01342
28 5W76 GDP 2.01342
29 4LC1 GDP 2.01342
30 5FTB ANP 2.01342
31 5W75 GDP 2.01342
32 1CR1 TTP 2.02703
33 2CBZ ATP 2.1097
34 2X77 GDP 2.1164
35 1TL2 NDG 2.11864
36 1PUJ GNP 2.12766
37 1ZJ6 G3D 2.13904
38 1G8S MET 2.17391
39 1MR3 G3D 2.20994
40 1YZG GDP 2.23464
41 6BSX GDP 2.24719
42 6BSX E7S 2.24719
43 4QOS ADP 2.26415
44 3CNL GNP 2.29008
45 1F9V ADP 2.34899
46 2NCD ADP 2.34899
47 2FAH GDP 2.34899
48 3ZS9 ADP ALF 2.34899
49 2WOJ ADP ALF 2.34899
50 3TK1 GDP 2.34899
51 5KSZ GCP 2.34899
52 1YTM ATP 2.34899
53 5IRR GSP 2.34899
54 2BIF ANP 2.34899
55 2V5K OXM 2.34899
56 2BIF SIN 2.34899
57 1Q19 SSC 2.34899
58 2X7I CIT 2.34899
59 2O0J ADP 2.34899
60 4NE2 SH2 2.34899
61 4NE2 ADP 2.34899
62 1M7G AV2 2.36967
63 1M7G ADX 2.36967
64 1M7G ADP 2.36967
65 5ZBR ANP 2.4
66 3Q72 GNP 2.40964
67 5J1J ANP 2.45614
68 1ION ADP 2.46914
69 5GVR LMR 2.5641
70 4R98 GNH 2.58303
71 1BG2 ADP 2.68456
72 2Y65 ADP 2.68456
73 1RRC ADP 2.68456
74 5M04 GDP 2.68456
75 2FNA ADP 2.68456
76 6AU6 GDP 2.68456
77 1SVK ALF GDP 2.68456
78 1Y3A GDP 2.68456
79 1BH2 GSP 2.68456
80 4A4Z ANP 2.68456
81 2XTZ GSP 2.68456
82 1SVM ATP 2.68456
83 2OM2 GDP 2.68456
84 5L3R GCP 2.68456
85 2BME GNP 2.68817
86 4PX9 ADP 2.73973
87 1VHT BA3 2.75229
88 1UJ2 ADP 2.77778
89 1UJ2 C5P 2.77778
90 4R43 GDP 3.02013
91 1XMV ADP 3.02013
92 4YJ1 ADP 3.02013
93 1XKV ATP 3.02013
94 4ZKD GDP 3.02013
95 2QEN ADP 3.02013
96 1P9B GDP 3.02013
97 5EO8 TFU 3.02013
98 5GWE GWM 3.02013
99 4RZ3 ADP 3.05085
100 4B5W PYR 3.125
101 3B8I OXL 3.13589
102 1XX6 ADP 3.14136
103 5KSP GDP 3.15789
104 1AKY AP5 3.18182
105 3VX3 ADP 3.22581
106 3RWO GDP 3.24324
107 1Y63 ADP 3.26087
108 6A20 ADP 3.3557
109 4AG5 ADP 3.3557
110 3TBK ANP 3.3557
111 5YT0 GDP 3.3557
112 1F5N GNP 3.3557
113 1D2E GDP 3.3557
114 3NHB ADP 3.3557
115 5ZXD ATP 3.3557
116 1W5T ADP 3.3557
117 1WF3 GNP 3.3557
118 3HU3 AGS 3.3557
119 1W5T ANP 3.3557
120 1TQ4 GDP 3.3557
121 4ZVV GN0 3.3557
122 4ZVV NAD 3.3557
123 1Z6T ADP 3.3557
124 2IS6 ADP 3.3557
125 2WIC GNP 3.37079
126 1VG8 GNP 3.38164
127 5U32 GDP 3.38983
128 2RI1 GLP 3.40426
129 2XTN GTP 3.4188
130 1B0U ATP 3.43511
131 4WZ6 ATP 3.44828
132 2GJ8 ALF GDP 3.48837
133 3UIE ANP 3.5
134 4V03 ADP 3.50195
135 3IUY AMP 3.50877
136 1R2Q GNP 3.52941
137 1Z08 GNP 3.52941
138 3T1O GDP 3.53535
139 3BD9 A3P 3.57143
140 3MJH GTP 3.57143
141 4XVU ATP 3.68664
142 4XTR ATP 3.68664
143 4XTR ADP 3.68664
144 3U6B GDP 3.69128
145 5JBQ GDP 3.69128
146 2GKS ADP 3.69128
147 1D8T GDP 3.69128
148 4G5G GDP 3.69128
149 4IHQ ADP 3.69128
150 3U6K GDP 3.69128
151 2ZFI ADP 3.69128
152 3E70 GDP 3.69128
153 5AK0 8V1 3.69128
154 2BVN GNP 3.69128
155 3T34 GDP 3.69128
156 2CE7 ADP 3.69128
157 4PC3 GDP 3.69128
158 5KUT GDP 3.7037
159 3B5J 12D 3.7037
160 5MVR ADP 3.7037
161 4LPS GDP 3.71901
162 1VG1 GDP 3.78378
163 2FH5 GTP 3.78378
164 1HTW ADP 3.79747
165 1JJV ATP 3.8835
166 1DS6 GDP 3.88889
167 1Z0F GDP 3.91061
168 2PZE ATP 3.93013
169 3T5G GDP 3.94737
170 3NKV GNP 4
171 4D0G GTP 4
172 2ZR9 DTP 4.02685
173 4HSE ADP 4.02685
174 1OYY AGS 4.02685
175 2J5V PCA 4.02685
176 1ZCB GDP 4.02685
177 5LTJ ADP 4.02685
178 5IRN ADP 4.02685
179 1H65 GDP 4.07407
180 5WDR GNP 4.09357
181 4MKF AP5 4.14747
182 3FB4 AP5 4.16667
183 1Z2A GDP 4.16667
184 3TMK T5A 4.16667
185 2A5J GDP 4.18848
186 1O3Y GTP 4.21687
187 3MD0 GDP 4.22535
188 5BQ5 ADP BEF 4.2328
189 1T5C ADP 4.36242
190 4IEE AGS 4.36242
191 2QTV GNP 4.36242
192 1M2O GNP 4.36242
193 2C78 GNP 4.36242
194 2C77 GNP 4.36242
195 3QDK QDK 4.36242
196 4YDS ATP 4.38596
197 2D2F ADP 4.4
198 2W58 ADP 4.45545
199 3DKP ADP 4.4898
200 1U0J ADP 4.49438
201 5XKT GNP 4.5
202 5SZH GNP 4.57516
203 4NU0 AP5 4.60829
204 4YLG GDP 4.62428
205 4TTQ ATP 4.65116
206 5WRI A3P 4.69799
207 5WRJ A3P 4.69799
208 5TSH ADP 4.69799
209 6C90 ADP 4.69799
210 2GK6 ADP 4.69799
211 1MKY GDP 4.69799
212 5TSH ANP 4.69799
213 5Y6N ADP 4.69799
214 5BN3 ADP 4.69799
215 1VG9 GDP 4.69799
216 1QF5 RPL 4.69799
217 1QF5 GDP 4.69799
218 4P4T GDP 4.69799
219 5M7P ADP 4.69799
220 1X6V ADP 4.69799
221 5NCB JZ3 4.69799
222 4TQK NAG 4.69799
223 1EK0 GNP 4.70588
224 3Q85 GNP 4.73373
225 6G14 G4P 4.7619
226 4KVG GTP 4.7619
227 1GUA GNP 4.79042
228 3BFV ADP 4.79705
229 4J0Q GDP 4.84988
230 5G3Y ADP 4.86726
231 3N5C GDP 4.93827
232 3BOS CDP 4.95868
233 1JJ7 ADP 5
234 3Q9L ATP 5
235 1GOJ ADP 5.03356
236 3ITJ CIT 5.03356
237 5VGR GDP 5.03356
238 1OXV ANP 5.03356
239 3ZQ6 ADP ALF 5.03356
240 1G7S GDP 5.03356
241 4IDN GNP 5.03356
242 5I34 GDP 5.03356
243 1IWE IMP 5.03356
244 4ZG4 VO4 ADP 5.03356
245 2BO4 FLC 5.03356
246 2G77 GDP 5.05051
247 1G3Q ADP 5.06329
248 1SVI GDP 5.12821
249 5F90 GLA GAL 5.12821
250 5F90 GLA GAL BGC 5VQ 5.12821
251 1G6O ADP 5.15152
252 5XQL C2E 5.15464
253 1FP6 ADP 5.19031
254 2CJW GDP 5.20833
255 3LXR GDP 5.20833
256 3BER AMP 5.22088
257 5UIV ADP 5.28634
258 5OCG GNP 5.29101
259 1Z06 GNP 5.29101
260 2HF9 GSP 5.30973
261 1ZD9 GDP 5.31915
262 2B8W ALF 5GP 5.36913
263 5GOE GDP 5.36913
264 1R6B ADP 5.36913
265 5BYK OAQ 5.40541
266 5BYK A3P 5.40541
267 5TAR GDP 5.40541
268 2EFE GNH 5.52486
269 5TIV A3P 5.5336
270 3IIJ ADP 5.55556
271 5O74 GDP 5.58376
272 3E5H GNP 5.61798
273 3PQC GDP 5.64103
274 2W2X GSP 5.64516
275 4KFU ACP 5.66038
276 2GDJ ANP 5.68182
277 4GOX A3P 5.7047
278 1SKQ GDP 5.7047
279 5CK5 GDP 5.7047
280 1SQ5 ADP 5.7047
281 4DCT GDP 5.7047
282 4LYA ATP 5.7047
283 5HR5 ADP 5.7047
284 2FSH ANP 5.7047
285 3EC1 GDP 5.7047
286 4R2I ANP 5.71429
287 1E96 GTP 5.72917
288 2HT6 GDP 5.74713
289 4LHW GNP 5.74713
290 4NON GDP 5.76923
291 2C5L GTP 5.78035
292 6FA4 GNP 5.78035
293 5Z2M GTP 5.7971
294 4YMU ATP 5.83333
295 4ZNL BEF ADP 5.83942
296 1G16 GDP 5.88235
297 5O2T GSP 5.91716
298 1LFD GNP 5.98802
299 6D5H GNP 5.98802
300 6BVI GNP 5.98802
301 6D56 GNP 5.98802
302 6D5V GNP 5.98802
303 6D5E GNP 5.98802
304 6D5L GNP 5.98802
305 6BVL GNP 5.98802
306 6D59 GNP 5.98802
307 6BVJ GNP 5.98802
308 6BVM GNP 5.98802
309 6BVK GNP 5.98802
310 6D55 GNP 5.98802
311 6D5M GNP 5.98802
312 6D5J GNP 5.98802
313 6D5G GNP 5.98802
314 1ZIN AP5 5.99078
315 1WQ1 GDP 6.0241
316 1CLU DBG 6.0241
317 3DDC GNP 6.0241
318 1NVV GNP 6.0241
319 3KUD GDP 6.0241
320 2AWN ADP 6.04027
321 2WHX ADP 6.04027
322 2D7D ADP 6.04027
323 2RCN GDP 6.04027
324 2ZJ5 ADP 6.04027
325 1NHX FTB 6.04027
326 1NHX PEP 6.04027
327 2JLR ANP 6.04027
328 4FBL SPD 6.04982
329 4X8O AP5 6.07477
330 3B7G ANP 6.08696
331 4OI4 ATP 6.08696
332 2CHG ANP 6.19469
333 3A1S GDP 6.20155
334 4K81 GTP 6.20155
335 3P4X ADP 6.37584
336 4BAS GNP 6.53266
337 1F6B GDP 6.56566
338 1GXU 2HP 6.59341
339 1FZQ GDP 6.62983
340 4PPF FLC 6.71141
341 1DAR GDP 6.71141
342 1TAD GDP 6.71141
343 1TAD ALF 6.71141
344 5L3V GDP 6.71141
345 1OW3 GDP 6.73575
346 2PL3 ADP 6.77966
347 4E03 ADP 6.79612
348 4PYA 2X3 6.8323
349 3W5J GDP 6.86275
350 2QZ4 ADP 6.87023
351 1RYH GNP 6.89655
352 1YZN GNP 7.02703
353 2QG6 NMN 7.03518
354 3H4S ADP 7.04698
355 4FRZ ADP 7.04698
356 2OBM ADP 7.04698
357 1V8K ANP 7.04698
358 3VMF GTP 7.04698
359 4FCW ADP 7.04698
360 4JLV ADP 7.0632
361 1LVG ADP 7.07071
362 5LV1 78T 7.14286
363 4XOI GTP 7.22222
364 1NE7 AGP 7.26644
365 1I4D GDP 7.29167
366 1TX4 ALF GDP 7.34463
367 1S3G AP5 7.37327
368 2DPY ADP 7.38255
369 3DZD ADP 7.38255
370 4LJ9 ACP 7.38255
371 1NY5 ADP 7.38255
372 2XAU ADP 7.38255
373 5UQW GDP 7.40741
374 3EWA ANP 7.45342
375 2CDN ADP 7.46269
376 3SBD GNP 7.48663
377 5IRC GDP 7.52688
378 2J0V GDP 7.54717
379 1G4U GDP 7.6087
380 2UZI GTP 7.69231
381 4B47 GDP 7.71812
382 4WZA ADP 7.71812
383 4WZA ACP 7.71812
384 5XDR ADP 7.71812
385 3IO3 ADP 7.71812
386 3WYF GTP 7.76256
387 3M1I GTP 7.76256
388 2BEK ATP 7.7821
389 2PEZ DAT 7.82123
390 2PEZ GGZ 7.82123
391 4MKG AP5 7.8341
392 1HE1 GDP 7.95455
393 2KIN ADP 8
394 2X5D PLP 8.05369
395 5XG5 A2G 8.27586
396 1YVD GNP 8.28402
397 2CK3 ANP 8.38926
398 1W0J ADP 8.38926
399 4D0N GDP 8.38926
400 5K5Z ANP 8.38926
401 5L3W GDP 8.38926
402 3FWY ADP 8.38926
403 2CK3 ADP 8.38926
404 1W0J ADP BEF 8.38926
405 1Z0J GTP 8.47458
406 3AQ4 GDP 8.69565
407 1XEX ATP 8.72093
408 2ZTS ADP 8.76494
409 5WLB GNP 8.82353
410 4CVN ADP 8.90052
411 4U00 ADP 9.01639
412 4HI0 GDP 9.04523
413 4HDO GNP 9.0604
414 4HDQ GNP 9.0604
415 3VPD BUA 9.25267
416 3CX8 GSP 9.35961
417 1DAK ADP 9.375
418 1DAK DPU 9.375
419 3GDN FAD 9.39597
420 1D2N ANP 9.39597
421 3EZ2 ADP 9.39597
422 5WC2 ADP 9.39597
423 1IHU AF3 9.39597
424 1IHU ADP 9.39597
425 1FQK GDP 9.39597
426 1K6M AGS 9.39597
427 3RAB GNP 9.46746
428 2IYL GDP 9.50704
429 5E5U MLI 9.54774
430 1S8F GDP 9.60452
431 5H7J GCP 9.73154
432 3TNF GNP 9.73154
433 1RE0 GDP 9.7561
434 1S9D GDP 9.7561
435 1KMQ GNP 9.78261
436 3DC4 ADP 9.88372
437 1Z0K GTP 9.88372
438 1KY3 GDP 9.89011
439 3WYG GTP 9.89011
440 3ZFD ANP 10.0671
441 2WJG GDP 10.1064
442 2VWT PYR 10.1124
443 1Z0A GDP 10.3448
444 1VBH PEP 10.4027
445 6DEF GCP 10.4027
446 4P3Y GDP 10.4396
447 5N69 ADP 10.5528
448 2ODE ALF GDP 10.6383
449 2A9K GDP 10.6952
450 2WKQ GTP 10.7383
451 5HPY GDP 10.7759
452 3TKL GTP 10.8614
453 5UWR GNP 10.9705
454 5UWQ GNP 10.9705
455 5UWT GNP 10.9705
456 5UWH GNP 10.9705
457 5UWO GNP 10.9705
458 5UWP GNP 10.9705
459 5UWJ GNP 10.9705
460 5UWI GNP 10.9705
461 5DIF GNP 10.9705
462 5DI9 GNP 10.9705
463 6CIT GNP 10.9705
464 5DHF GNP 10.9705
465 2OFW ADX 11.0577
466 5MZN ADP 11.0738
467 5L3S GNP 11.0738
468 5H67 ATP 11.1702
469 3BC1 GNP 11.2821
470 4DID GDP 11.399
471 1UAD GNP 11.4286
472 4TL6 ANP 11.4625
473 5HCN GCP 11.4943
474 1GRN GDP 11.5183
475 2NGR GDP 11.5183
476 1OIX GDP 11.5183
477 4ITR GDP 11.5183
478 2WMO GTP 11.5789
479 1G6H ADP 11.6732
480 6B4K ANP 11.745
481 3GJ7 GDP 11.7647
482 3GJ4 GDP 11.7647
483 3GJ0 GDP 11.7647
484 3GJ8 GDP 11.7647
485 5UPK GNP 11.8919
486 1U8Z GDP 11.9048
487 4HAT GNP 12.037
488 3GJX GTP 12.037
489 5BXQ GDP 12.037
490 1IBR GNP 12.037
491 2WJH GDP 12.0482
492 2WJH FLC 12.0482
493 2XT3 ADP 12.0805
494 5J1S ATP 12.1951
495 5IFS ADP 12.2363
496 3LRE ADP 12.4161
497 4KBF AMP 12.4161
498 1KAO GDP 12.5749
499 1YRB GDP 12.5954
500 3AB3 GDP 12.6016
501 2RGX AP5 12.6214
502 5EXT ADP 12.6923
503 5NM7 GLY 12.782
504 2HV8 GTP 12.7907
505 1FNN ADP 12.8535
506 4QM7 GTP 12.8655
507 5LB3 ADP 13.0872
508 2D7C GTP 13.1737
509 1YQT ADP 13.4228
510 3CH5 GDP 13.4615
511 2HCJ GDP 13.5135
512 5OEC GDP 13.6612
513 4PJ3 ANP 13.7584
514 5U97 PIT 14.094
515 3KJI ADP 14.1732
516 1D5C GDP 14.1975
517 1FQJ GDP 14.2857
518 3LN9 FLC 14.3885
519 5YV5 ADP 14.4295
520 1XP8 AGS 14.7651
521 1WA5 GTP 14.7727
522 3A4M ADP 15
523 1KK1 GNP 15.1007
524 2V7Q ADP 15.1515
525 2V7Q ATP 15.1515
526 1RJ9 GCP 15.4362
527 1NJF AGS 15.6
528 6AIC AMP 15.8879
529 1NRJ GTP 16.055
530 6H5E ANP 16.1074
531 1VKJ A3P 16.1404
532 1ZRH A3P 17.5182
533 3QBT GNP 18.5714
534 1T8U UAP SGN IDS SGN 18.75
535 1T8U A3P 18.75
536 3ZIA ADP 19.0476
537 3ZIA ATP 19.0476
538 6CRK GDP 19.7183
539 1GP2 GDP 19.7183
540 1B7T ADP 19.8718
541 1KK8 BEF ADP 20.1299
542 1TU3 GNP 20.2532
543 2QN6 GDP 20.4301
544 3GJ5 GDP 20.5882
545 1CS4 GSP 20.7547
546 4GBM A3P 21.1409
547 3GJ3 GDP 21.2121
548 1NF3 GNP 26.5625
549 5UWW GNP 28.5714
550 5UWU GNP 30
551 1ZC3 GNP 31.8584
552 5KDO GDP 32.4324
553 1GOT GDP 36.9863
554 1X8J A3P 44.9664
Pocket No.: 2; Query (leader) PDB : 2Z5F; Ligand: A3P; Similar sites found with APoc: 17
This union binding pocket(no: 2) in the query (biounit: 2z5f.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5G48 1FL 3.02013
2 4D81 ADP 3.18021
3 5URY PAM 3.42466
4 3RC3 ANP 3.69128
5 3TTM PUT 3.69128
6 1G41 ADP 3.69128
7 3B6C SDN 3.84615
8 5G41 AP5 4.03587
9 5XC5 GTP 4.54545
10 1ZUI SKM 4.7619
11 5TB5 GDP 5.40541
12 2BCG GDP 6.31068
13 3CPJ GDP 8.96861
14 3DEF GDP 10.3053
15 3BZ3 YAM 10.8696
16 5JCZ GDP 12.2905
17 1NJF ADP 15.6
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