Receptor
PDB id Resolution Class Description Source Keywords
1HY3 1.8 Å EC: 2.8.2.4 CRYSTAL STRUCTURE OF HUMAN ESTROGEN SULFOTRANSFERASE V269E MUTANT IN THE PRESENCE OF PAPS HOMO SAPIENS ESTROGEN SULFOTRANSFERASE PAPS HUMAN
Ref.: CRYSTAL STRUCTURE OF THE HUMAN ESTROGEN SULFOTRANSFERASE-PAPS COMPLEX: EVIDENCE FOR CATALYTIC ROLE OF SER137 IN THE SULFURYL TRANSFER REACTION. J.BIOL.CHEM. V. 277 17928 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PPS A:602;
B:502;
 Valid;
Valid;
 none;
none;
 submit data
507.264 C10 H15 N5 O13 P2 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1G3M 1.7 Å EC: 2.8.2.4 CRYSTAL STRUCTURE OF HUMAN ESTROGEN SULFOTRANSFERASE IN COMPLEX WITH IN-ACTIVE COFACTOR PAP AND 3,5,3',5'- T ETRACHLORO-BIPHENYL-4,4'-DIOL HOMO SAPIENS ESTROGEN SULFOTRANSFERASE PCB HUMAN
Ref.: CRYSTALLOGRAPHIC ANALYSIS OF A HYDROXYLATED POLYCHLORINATED BIPHENYL (OH-PCB) BOUND TO THE CATALYTIC ESTROGEN BINDING SITE OF HUMAN ESTROGEN SULFOTRANSFERASE. ENVIRON.HEALTH PERSPECT. V. 111 884 2003
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4JVM ic50 = 33 nM XDI C15 H12 Br4 O2 CC(C)(c1cc....
2 1G3M ic50 ~ 0.15 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
3 1HY3 - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
4 4JVL - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
5 4JVN ic50 = 23 nM YUG C12 H6 Br4 O2 c1cc(c(cc1....
70% Homology Family (27)
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 4JVM ic50 = 33 nM XDI C15 H12 Br4 O2 CC(C)(c1cc....
12 1G3M ic50 ~ 0.15 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
13 1HY3 - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
14 4JVL - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
15 4JVN ic50 = 23 nM YUG C12 H6 Br4 O2 c1cc(c(cc1....
16 2GWH - PCI C6 H Cl5 O c1(c(c(c(c....
17 2ZYU - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
18 2ZYV - NPO C6 H5 N O3 c1cc(ccc1[....
19 2ZYT - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
20 2ZVP - NPO C6 H5 N O3 c1cc(ccc1[....
21 2ZVQ - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
22 2ZYW - NPO C6 H5 N O3 c1cc(ccc1[....
23 2ZPT - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
24 2Z5F - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
25 1AQU - EST C18 H24 O2 C[C@]12CC[....
26 1AQY - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
27 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: PPS; Similar ligands found: 339
No: Ligand ECFP6 Tc MDL keys Tc
1 PPS 1 1
2 PAP 0.810127 0.884615
3 A3P 0.802632 0.871795
4 ADX 0.707317 0.974684
5 3AM 0.701299 0.835443
6 0WD 0.590909 0.811765
7 GGZ 0.578947 0.949367
8 A2P 0.574713 0.858974
9 A 0.571429 0.848101
10 AMP 0.571429 0.848101
11 ATR 0.571429 0.871795
12 A2D 0.569767 0.85
13 ADP 0.568182 0.873418
14 2AM 0.566265 0.848101
15 PUA 0.565217 0.802326
16 A22 0.5625 0.8625
17 AN2 0.561798 0.8625
18 APU 0.559633 0.809524
19 BA3 0.556818 0.85
20 DCA 0.556522 0.734043
21 ETB 0.556522 0.741935
22 A A A 0.555556 0.795181
23 SAP 0.554348 0.9
24 AGS 0.554348 0.9
25 7D5 0.554217 0.792683
26 AP5 0.550562 0.85
27 B4P 0.550562 0.85
28 50T 0.549451 0.839506
29 ATP 0.549451 0.873418
30 COA 0.547009 0.752688
31 0T1 0.547009 0.734043
32 7D3 0.545455 0.817073
33 5FA 0.543478 0.873418
34 2A5 0.543478 0.829268
35 AQP 0.543478 0.873418
36 M33 0.538462 0.839506
37 CA0 0.538462 0.829268
38 ACO 0.53719 0.729167
39 A2R 0.536082 0.8625
40 A A 0.534653 0.82716
41 ABM 0.534091 0.804878
42 30N 0.533333 0.819149
43 CAO 0.533333 0.765957
44 COS 0.533333 0.755319
45 AMX 0.533333 0.741935
46 ACP 0.532609 0.851852
47 1VU 0.532258 0.729167
48 CMX 0.528926 0.734043
49 SCO 0.528926 0.734043
50 ATP A A A 0.528846 0.814815
51 SRA 0.528736 0.875
52 3KK 0.528455 0.736842
53 PRX 0.526882 0.785714
54 AR6 0.526882 0.85
55 APR 0.526882 0.85
56 ANP 0.526316 0.851852
57 ACQ 0.526316 0.851852
58 25A 0.525253 0.85
59 FAM 0.52459 0.71875
60 FCX 0.52459 0.71134
61 OXK 0.524194 0.736842
62 CA6 0.524194 0.77551
63 AMP MG 0.522727 0.783133
64 AP2 0.522222 0.841463
65 A12 0.522222 0.841463
66 7D4 0.521739 0.817073
67 AU1 0.521739 0.851852
68 AD9 0.521277 0.851852
69 HAX 0.520325 0.71875
70 ADQ 0.52 0.829268
71 CO6 0.52 0.736842
72 COO 0.519685 0.736842
73 RAB 0.518987 0.7375
74 XYA 0.518987 0.7375
75 ADN 0.518987 0.7375
76 FYN 0.516129 0.752688
77 2MC 0.515873 0.707071
78 SOP 0.512 0.736842
79 MCD 0.512 0.71875
80 COK 0.512 0.755319
81 3HC 0.511811 0.744681
82 MLC 0.511811 0.736842
83 1HE 0.511811 0.721649
84 BCO 0.511811 0.736842
85 IVC 0.511811 0.744681
86 OVE 0.511364 0.8625
87 APC 0.510638 0.841463
88 TAT 0.510417 0.8875
89 SRP 0.510204 0.797619
90 OOB 0.51 0.817073
91 NA7 0.509804 0.841463
92 PAX 0.508197 0.755556
93 NMX 0.507937 0.683168
94 CMC 0.507937 0.736842
95 CAA 0.507812 0.744681
96 MCA 0.507812 0.729167
97 5AL 0.505155 0.817073
98 SCD 0.503937 0.734043
99 CAJ 0.503937 0.71875
100 SCA 0.503876 0.736842
101 MC4 0.503876 0.7
102 3OD 0.5 0.829268
103 ADP BEF 0.5 0.776471
104 BEF ADP 0.5 0.776471
105 A1S 0.5 0.736842
106 COW 0.5 0.729167
107 ATF 0.5 0.841463
108 BYC 0.5 0.736842
109 00A 0.5 0.77907
110 DLL 0.5 0.817073
111 1GZ 0.5 0.729167
112 CA8 0.5 0.77551
113 HGG 0.5 0.736842
114 IRC 0.5 0.744681
115 BCA 0.496183 0.729167
116 FAQ 0.496183 0.736842
117 YE1 0.496124 0.726316
118 25L 0.495238 0.8625
119 GRA 0.492424 0.736842
120 HXC 0.492424 0.721649
121 2CP 0.492308 0.729167
122 AMO 0.490196 0.819277
123 PAJ 0.490196 0.781609
124 ADV 0.489583 0.819277
125 RBY 0.489583 0.819277
126 ADP MG 0.489362 0.795181
127 TGC 0.488722 0.729167
128 2KQ 0.48855 0.721649
129 COF 0.48855 0.721649
130 3CP 0.48855 0.736842
131 FA5 0.485981 0.797619
132 FYA 0.485714 0.795181
133 MAP 0.485149 0.831325
134 CCQ 0.485075 0.707071
135 1CZ 0.485075 0.747368
136 2NE 0.485075 0.721649
137 CO8 0.485075 0.721649
138 CIC 0.485075 0.736842
139 4CA 0.484848 0.729167
140 DAT 0.484211 0.817073
141 DCC 0.481481 0.721649
142 UCC 0.481481 0.721649
143 MYA 0.481481 0.721649
144 ST9 0.481481 0.721649
145 MFK 0.481481 0.721649
146 5F9 0.481481 0.721649
147 3UK 0.480769 0.807229
148 OAD 0.480769 0.829268
149 8QN 0.480392 0.817073
150 5SV 0.480392 0.75
151 GAP 0.479592 0.785714
152 V3L 0.479592 0.85
153 SON 0.478723 0.819277
154 LAD 0.47619 0.761364
155 WAQ 0.47619 0.77907
156 A1R 0.475728 0.8
157 4AD 0.475728 0.809524
158 DAK 0.47482 0.714286
159 YNC 0.47482 0.729167
160 1CV 0.474453 0.736842
161 WCA 0.474453 0.721649
162 CS8 0.474453 0.714286
163 ADP PO3 0.474227 0.825
164 S0N 0.474074 0.71875
165 D5M 0.472527 0.792683
166 DA 0.472527 0.792683
167 YAP 0.472222 0.788235
168 NB8 0.471698 0.790698
169 ME8 0.471698 0.764045
170 1ZZ 0.471698 0.744444
171 PTJ 0.471698 0.790698
172 AHX 0.471154 0.790698
173 4KX 0.471014 0.714286
174 HDC 0.471014 0.721649
175 G A A A 0.470588 0.770115
176 0FQ 0.470588 0.736842
177 4CO 0.470588 0.729167
178 AV2 0.47 0.82716
179 5N5 0.46988 0.716049
180 ATP MG 0.469388 0.795181
181 7D7 0.469136 0.670732
182 MRS 0.467626 0.721649
183 HFQ 0.467626 0.721649
184 MRR 0.467626 0.721649
185 0ET 0.467153 0.721649
186 01A 0.467153 0.707071
187 ADP BMA 0.466667 0.807229
188 A U 0.465517 0.767442
189 ANP MG 0.465347 0.788235
190 ADP VO4 0.465347 0.817073
191 VO4 ADP 0.465347 0.817073
192 DTP 0.464646 0.817073
193 A4D 0.464286 0.7375
194 5CD 0.464286 0.703704
195 9SN 0.462963 0.770115
196 PR8 0.462264 0.752809
197 NJP 0.462185 0.831325
198 101 0.461538 0.792683
199 8Z2 0.460993 0.714286
200 NHW 0.460432 0.721649
201 NHM 0.460432 0.721649
202 UOQ 0.460432 0.721649
203 DTA 0.45977 0.731707
204 U A C C 0.459016 0.758621
205 APC G U 0.459016 0.758621
206 BIS 0.457944 0.821429
207 TXA 0.457944 0.819277
208 NDP 0.457627 0.811765
209 A3G 0.456522 0.702381
210 ADP ALF 0.455446 0.767442
211 ALF ADP 0.455446 0.767442
212 MTA 0.454545 0.698795
213 U A G G 0.454545 0.77907
214 5X8 0.453608 0.690476
215 5AS 0.452632 0.872093
216 4UV 0.45045 0.788235
217 3AT 0.45 0.873418
218 EP4 0.448276 0.662791
219 1HA 0.448276 0.721649
220 TYM 0.448276 0.797619
221 LAQ 0.447368 0.784091
222 6RE 0.445652 0.670455
223 NPW 0.445378 0.784091
224 3DH 0.444444 0.698795
225 UPA 0.444444 0.8
226 NHQ 0.444444 0.744681
227 YLP 0.443478 0.728261
228 M2T 0.443182 0.686047
229 4UU 0.442478 0.788235
230 AFH 0.442478 0.781609
231 DAL AMP 0.442308 0.795181
232 G3D 0.442308 0.819277
233 XAH 0.441441 0.744444
234 AOC 0.44086 0.719512
235 NAI 0.439655 0.8
236 4UW 0.439655 0.761364
237 5AD 0.439024 0.65
238 GTA 0.438596 0.784091
239 J7C 0.43617 0.678161
240 AS 0.43617 0.819277
241 01K 0.435374 0.736842
242 Y3J 0.435294 0.634146
243 ZAS 0.434783 0.674419
244 U A A U 0.434109 0.8
245 G3A 0.433628 0.811765
246 139 0.433333 0.772727
247 A3S 0.43299 0.710843
248 COT 0.432432 0.736842
249 AP0 0.432203 0.790698
250 YLC 0.432203 0.744444
251 CPA 0.432203 0.733333
252 48N 0.431034 0.790698
253 A5D 0.43 0.731707
254 G5P 0.429825 0.811765
255 TXP 0.429752 0.811765
256 NZQ 0.429752 0.802326
257 UCA 0.428571 0.721649
258 6V0 0.42735 0.790698
259 NXX 0.42735 0.819277
260 UP5 0.42735 0.809524
261 DND 0.42735 0.819277
262 NAX 0.42735 0.772727
263 TM1 0.427273 0.706522
264 CA3 0.426667 0.736842
265 1DG 0.426357 0.811765
266 DG1 0.426357 0.811765
267 ODP 0.42623 0.802326
268 PO4 PO4 A A A A PO4 0.425926 0.8125
269 SO8 0.425743 0.694118
270 G5A 0.425743 0.872093
271 VRT 0.425743 0.678161
272 SAH 0.425743 0.674419
273 DSH 0.425532 0.659091
274 IOT 0.425 0.73913
275 V1N 0.424779 0.804878
276 SFG 0.424242 0.658824
277 A3T 0.424242 0.719512
278 2VA 0.424242 0.702381
279 OMR 0.423729 0.755556
280 XNP 0.422764 0.793103
281 12D 0.422414 0.717391
282 DDS 0.421569 0.792683
283 T5A 0.421488 0.747253
284 YLB 0.420168 0.728261
285 4TC 0.420168 0.790698
286 103 0.419355 0.756098
287 JB6 0.418182 0.821429
288 A U C C 0.41791 0.75
289 ANZ 0.417391 0.727273
290 M24 0.417323 0.752809
291 S4M 0.416667 0.62766
292 GJV 0.416667 0.662921
293 A G U 0.416058 0.744444
294 TYR AMP 0.415929 0.776471
295 SA8 0.415842 0.626374
296 TAP 0.415385 0.843373
297 128 0.415254 0.709677
298 TXD 0.415254 0.8
299 TSB 0.415094 0.915663
300 MYR AMP 0.414414 0.725275
301 3AD 0.413793 0.725
302 TAD 0.413793 0.802326
303 A5A 0.413462 0.903614
304 CA5 0.412903 0.707071
305 MAO 0.412371 0.673913
306 AMP DBH 0.412281 0.785714
307 SAI 0.411765 0.647727
308 TXE 0.411765 0.8
309 NEC 0.410526 0.654762
310 93P 0.410256 0.729167
311 YLA 0.409836 0.728261
312 SSA 0.409524 0.894118
313 3NZ 0.409091 0.689655
314 NAP 0.407692 0.829268
315 CNA 0.406504 0.819277
316 ZZB 0.406504 0.706522
317 AYB 0.406504 0.72043
318 A3N 0.40625 0.690476
319 52H 0.40566 0.872093
320 VMS 0.40566 0.882353
321 54H 0.40566 0.882353
322 AR6 AR6 0.405172 0.804878
323 A4P 0.404959 0.75
324 J7V 0.40458 0.741935
325 QQY 0.404255 0.780488
326 ACK 0.404255 0.775
327 A7D 0.40404 0.702381
328 EEM 0.403846 0.612903
329 AAT 0.403846 0.644444
330 NVA 2AD 0.401961 0.674419
331 53H 0.401869 0.872093
332 D3Y 0.401869 0.694118
333 5CA 0.401869 0.894118
334 EAD 0.401515 0.772727
335 NA0 0.401515 0.819277
336 ITT 0.4 0.825
337 NAD 0.4 0.817073
338 COD 0.4 0.741935
339 A6D 0.4 0.677778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1G3M; Ligand: PCQ; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1g3m.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1G3M; Ligand: A3P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1g3m.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1G3M; Ligand: PCQ; Similar sites found: 183
This union binding pocket(no: 3) in the query (biounit: 1g3m.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3Q9L ATP 0.02409 0.41162 0.769231
2 1VHT BA3 0.004579 0.44394 1.37615
3 3B5J 12D 0.01428 0.43572 1.64609
4 1V8K ANP 0.01733 0.42272 1.70068
5 1Z2A GDP 0.01475 0.40026 1.78571
6 5VGR GDP 0.002804 0.44621 2.04082
7 2GDJ ANP 0.01185 0.43129 2.27273
8 4DKX GDP 0.006068 0.44635 2.31481
9 2ZFI ADP 0.01626 0.42416 2.38095
10 1P9B HDA 0.03993 0.41252 2.38095
11 1K6M AGS 0.009163 0.40936 2.38095
12 1P9B GDP 0.01947 0.40625 2.38095
13 5IRR GSP 0.01295 0.40554 2.38095
14 2V5K OXM 0.04201 0.40858 2.43902
15 2PL3 ADP 0.0009581 0.49341 2.54237
16 2XTN GTP 0.01154 0.40496 2.5641
17 3B7G ANP 0.002158 0.46468 2.6087
18 3JUC PCA 0.0297 0.42011 2.61438
19 1ZD9 GDP 0.002755 0.44273 2.65957
20 3GJ0 GDP 0.01999 0.41949 2.71493
21 1UF5 CDT 0.01636 0.42402 2.72109
22 1G6O ADP 0.01449 0.41916 2.72109
23 2EFE GNH 0.0178 0.41132 2.76243
24 2CBZ ATP 0.002027 0.4883 2.95359
25 1H65 GDP 0.01336 0.40493 2.96296
26 2DPY ADP 0.011 0.4419 3.06122
27 1G7S GDP 0.008557 0.43445 3.06122
28 4P4T GDP 0.01286 0.41163 3.06122
29 1TQ4 GDP 0.01421 0.40661 3.06122
30 4NON GDP 0.01062 0.43377 3.07692
31 5E95 GDP 0.01871 0.40707 3.09278
32 3A1S GDP 0.0126 0.42592 3.10078
33 4WZ6 ATP 0.01332 0.44002 3.10345
34 1SKQ GDP 0.005114 0.45493 3.40136
35 2BCG GDP 0.00697 0.42402 3.40136
36 1D2E GDP 0.0108 0.42188 3.40136
37 3NHB ADP 0.02787 0.42188 3.40136
38 2WOJ ADP ALF 0.009105 0.40142 3.40136
39 3ZS9 ADP ALF 0.009729 0.40022 3.40136
40 1G6H ADP 0.005167 0.46525 3.50195
41 3MD0 GDP 0.006867 0.44815 3.66197
42 2AWN ADP 0.002424 0.48496 3.7415
43 4AG5 ADP 0.002149 0.48362 3.7415
44 5GOE GDP 0.005123 0.44153 3.7415
45 4R43 GDP 0.008755 0.43811 3.7415
46 4DCT GDP 0.01241 0.42627 3.7415
47 4HSE ADP 0.01377 0.42397 3.7415
48 1K12 FUC 0.03393 0.41663 3.79747
49 1FP6 ADP 0.008103 0.42792 3.80623
50 1N71 COA 0.01975 0.40005 3.88889
51 4YDS ATP 0.006025 0.45612 3.94737
52 3BER AMP 0.002327 0.46787 4.01606
53 1D2N ANP 0.007426 0.41947 4.04412
54 5TAR GDP 0.01382 0.41668 4.05405
55 4LC1 GDP 0.009381 0.43656 4.08163
56 1SQ5 ADP 0.009007 0.43332 4.08163
57 5XDR ADP 0.03614 0.4026 4.08163
58 1Z6T ADP 0.02355 0.4023 4.08163
59 3NV6 CAM 0.04718 0.40147 4.08163
60 2WIC GNP 0.002198 0.46428 4.11985
61 1BO4 COA 0.02342 0.4159 4.16667
62 1G3Q ADP 0.004729 0.44747 4.21941
63 2X77 GDP 0.02976 0.40692 4.2328
64 3GJ8 GDP 0.02267 0.41296 4.34783
65 3KTA AP5 0.02121 0.40761 4.3956
66 3LRE ADP 0.002011 0.48524 4.42177
67 1OYY AGS 0.01146 0.43206 4.42177
68 3EZ2 ADP 0.02557 0.41776 4.42177
69 2CHG ANP 0.02091 0.40476 4.42478
70 1GT6 OLA 0.03919 0.40079 4.46097
71 1S8F GDP 0.02303 0.40915 4.51977
72 2NCD ADP 0.0022 0.48307 4.7619
73 1GOJ ADP 0.0023 0.48071 4.7619
74 1KC7 PPR 0.006232 0.45941 4.7619
75 3TK1 GDP 0.01026 0.44355 4.7619
76 1JWY GDP 0.00415 0.44199 4.7619
77 1FNN ADP 0.003984 0.4353 4.7619
78 1W5T ADP 0.006213 0.42984 4.7619
79 1JWY ADP 0.01146 0.42802 4.7619
80 1W5T ANP 0.008964 0.41575 4.7619
81 3AQ4 GDP 0.01556 0.42128 4.8913
82 3W5J GDP 0.0006793 0.51398 4.90196
83 1YRB GDP 0.01165 0.42028 4.96183
84 3DC4 ADP 0.01859 0.42947 5.10204
85 2C9O ADP 0.005196 0.42654 5.10204
86 2CJW GDP 0.01417 0.42726 5.20833
87 1G8S MET 0.02598 0.42413 5.21739
88 5BQ5 ADP BEF 0.01457 0.41905 5.29101
89 3DEF GDP 0.01872 0.41025 5.34351
90 1U8Z GDP 0.01639 0.40094 5.35714
91 4LYA ATP 0.02224 0.41338 5.44218
92 2A5J GDP 0.01382 0.42018 5.75916
93 2X7I CIT 0.02925 0.41086 5.78231
94 1WQ1 GDP 0.009905 0.40788 5.78231
95 3U6B GDP 0.003151 0.46607 5.83756
96 4G5G GDP 0.005483 0.44863 5.83756
97 3U6K GDP 0.006503 0.4448 5.83756
98 2BVN GNP 0.008589 0.4267 5.85242
99 2W58 ADP 0.004132 0.47498 5.94059
100 1G4U GDP 0.005191 0.42996 5.97826
101 2IYL GDP 0.01307 0.42908 5.98592
102 2QG6 NMN 0.0042 0.41267 6.03015
103 2ZR9 DTP 0.0006287 0.49721 6.12245
104 2FNA ADP 0.001329 0.44972 6.12245
105 2WHX ADP 0.008809 0.4492 6.12245
106 3GJ7 GDP 0.0161 0.42439 6.12245
107 3MBI HSX 0.03315 0.41171 6.27178
108 4PPF FLC 0.00161 0.49042 6.46258
109 5WRJ A3P 0.00003729 0.41413 6.46258
110 5WRI A3P 0.00001833 0.41351 6.46258
111 3N5C GDP 0.005532 0.44843 6.79012
112 1D5C GDP 0.004652 0.43579 6.79012
113 4LPS GDP 0.01055 0.42984 7.02479
114 1B7T ADP 0.0296 0.4037 7.05128
115 4GBM A3P 0.00003824 0.51354 7.14286
116 1XP8 AGS 0.001936 0.47726 7.14286
117 2OBM ADP 0.004275 0.46998 7.14286
118 1KK8 BEF ADP 0.02296 0.40282 7.14286
119 3PQC GDP 0.01809 0.41437 7.17949
120 4AG9 COA 0.04641 0.40031 7.27273
121 1S9D GDP 0.01865 0.41727 7.38916
122 2OG2 MLI 0.001698 0.49969 7.48299
123 3B9Q MLI 0.002927 0.48247 7.48299
124 3WYA GDP 0.005174 0.44994 7.48299
125 3UIE ANP 0.01161 0.42393 7.5
126 2QZ4 ADP 0.02283 0.40934 7.63359
127 2CK3 ADP 0.0104 0.40694 7.72059
128 1Z0F GDP 0.005367 0.44469 7.82123
129 4J0Q GDP 0.003296 0.46503 7.82313
130 4YS0 ADP 0.02219 0.40353 7.82313
131 2WJG GDP 0.006086 0.44629 7.97872
132 3VX3 ADP 0.01363 0.41046 8.06452
133 1F6B GDP 0.02233 0.4133 8.08081
134 2XT3 ADP 0.001439 0.49483 8.16327
135 4B47 GDP 0.007424 0.44635 8.16327
136 5JCZ GDP 0.01942 0.40327 8.16327
137 2WPW ACO 0.02614 0.40318 8.16327
138 4HI0 GDP 0.01211 0.40977 8.26772
139 5TIV A3P 0.001356 0.41135 8.3004
140 2HF9 GSP 0.01126 0.41757 8.40708
141 3BD9 A3P 0.0001887 0.51805 8.57143
142 4QOS ADP 0.01961 0.41263 9.0566
143 5FTB ANP 0.008647 0.43028 9.52381
144 3DZD ADP 0.008044 0.42808 9.52381
145 1I7E IBS 0.04107 0.41239 9.81132
146 3LXR GDP 0.03249 0.40167 10.4167
147 1QHH ATP 0.0131 0.42507 10.4348
148 2G77 GDP 0.01413 0.41289 10.6061
149 4A4Z ANP 0.004465 0.45324 10.8844
150 1I4D GDP 0.01891 0.42476 10.9375
151 3BFV ADP 0.004628 0.45244 11.0701
152 3WBG 2AN 0.0252 0.40396 11.1111
153 1ZJ6 G3D 0.006192 0.44155 11.2299
154 1INN MET 0.04849 0.40408 11.4458
155 4CVN ADP 0.001163 0.49487 11.5183
156 1JI0 ATP 0.02002 0.4277 11.6667
157 2QN6 GDP 0.005585 0.4529 11.828
158 4OI4 ATP 0.01185 0.40445 11.9048
159 4BQS ADP 0.007441 0.44177 11.9318
160 1HE1 GDP 0.009326 0.41496 11.9318
161 1JJ7 ADP 0.004361 0.47072 12.3077
162 4DID GDP 0.01857 0.41737 12.4352
163 4IEE AGS 0.02564 0.4177 13.2653
164 1Y63 ADP 0.005613 0.44811 13.587
165 4GOX A3P 0.00004076 0.51233 14.2857
166 3KUD GDP 0.01533 0.4051 14.8148
167 1GXU 2HP 0.001682 0.47574 15.3846
168 1GRN GDP 0.008655 0.423 15.7068
169 1T8U UAP SGN IDS SGN 0.00039 0.42702 15.8088
170 1T8U A3P 0.00003533 0.40231 15.8088
171 5KSP GDP 0.004849 0.44692 16.3158
172 2V7Q ATP 0.002807 0.45443 16.6667
173 2V7Q ADP 0.01223 0.43059 16.6667
174 1FQJ GDP 0.01416 0.40379 17.0068
175 2GK6 ADP 0.009388 0.44564 17.3469
176 3CNL GNP 0.0008797 0.49537 17.5573
177 3KO0 TFP 0.02258 0.43101 21.7822
178 3GJ4 GDP 0.02077 0.41862 24.2424
179 3WY9 GDP 0.004653 0.4571 25
180 2OM2 GDP 0.01472 0.40591 30.5556
181 3MGB PAP 0.000000005123 0.50076 31.6327
182 5MEX SZZ 0.00000000006626 0.65652 42.8571
183 5MEX PAP 0.00000000002366 0.54936 42.8571
Pocket No.: 4; Query (leader) PDB : 1G3M; Ligand: A3P; Similar sites found: 87
This union binding pocket(no: 4) in the query (biounit: 1g3m.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3Q9L ATP 0.02409 0.41162 0.769231
2 3B5J 12D 0.01428 0.43572 1.64609
3 1V8K ANP 0.01733 0.42272 1.70068
4 1Z2A GDP 0.01475 0.40026 1.78571
5 5VGR GDP 0.002804 0.44621 2.04082
6 4DKX GDP 0.006068 0.44635 2.31481
7 5IRR GSP 0.01295 0.40554 2.38095
8 2PL3 ADP 0.0009581 0.49341 2.54237
9 3GJ0 GDP 0.01999 0.41949 2.71493
10 2CBZ ATP 0.002027 0.4883 2.95359
11 1H65 GDP 0.01336 0.40493 2.96296
12 2DPY ADP 0.011 0.4419 3.06122
13 1G7S GDP 0.008557 0.43445 3.06122
14 5E95 GDP 0.01871 0.40707 3.09278
15 4WZ6 ATP 0.01332 0.44002 3.10345
16 2BCG GDP 0.00697 0.42402 3.40136
17 1D2E GDP 0.0108 0.42188 3.40136
18 2WOJ ADP ALF 0.009105 0.40142 3.40136
19 4AG5 ADP 0.002149 0.48362 3.7415
20 5GOE GDP 0.005123 0.44153 3.7415
21 4R43 GDP 0.008755 0.43811 3.7415
22 4DCT GDP 0.01241 0.42627 3.7415
23 1K12 FUC 0.03393 0.41663 3.79747
24 1N71 COA 0.01975 0.40005 3.88889
25 4YDS ATP 0.006025 0.45612 3.94737
26 1D2N ANP 0.007426 0.41947 4.04412
27 5TAR GDP 0.01382 0.41668 4.05405
28 1SQ5 ADP 0.008707 0.43406 4.08163
29 5XDR ADP 0.03614 0.4026 4.08163
30 3NV6 CAM 0.04718 0.40147 4.08163
31 1G3Q ADP 0.004729 0.44747 4.21941
32 2X77 GDP 0.02976 0.40692 4.2328
33 3LRE ADP 0.002011 0.48524 4.42177
34 1OYY AGS 0.01146 0.43206 4.42177
35 3EZ2 ADP 0.02557 0.41776 4.42177
36 1GT6 OLA 0.03919 0.40079 4.46097
37 1S8F GDP 0.02303 0.40915 4.51977
38 3W5J GDP 0.0006793 0.51398 4.90196
39 2CJW GDP 0.01417 0.42726 5.20833
40 5BQ5 ADP BEF 0.01457 0.41905 5.29101
41 4LYA ATP 0.02224 0.41338 5.44218
42 2A5J GDP 0.01382 0.42018 5.75916
43 3U6B GDP 0.003151 0.46607 5.83756
44 1G4U GDP 0.005191 0.42996 5.97826
45 2QG6 NMN 0.0042 0.41267 6.03015
46 3GJ7 GDP 0.0161 0.42439 6.12245
47 4PPF FLC 0.00161 0.49042 6.46258
48 5WRJ A3P 0.00003729 0.41413 6.46258
49 5WRI A3P 0.00001833 0.41351 6.46258
50 1D5C GDP 0.004652 0.43579 6.79012
51 1B7T ADP 0.0296 0.4037 7.05128
52 4GBM A3P 0.00003824 0.51354 7.14286
53 2OBM ADP 0.004275 0.46998 7.14286
54 1KK8 BEF ADP 0.02296 0.40282 7.14286
55 4AG9 COA 0.04641 0.40031 7.27273
56 1S9D GDP 0.01865 0.41727 7.38916
57 2QZ4 ADP 0.02283 0.40934 7.63359
58 1Z0F GDP 0.005367 0.44469 7.82123
59 4YS0 ADP 0.02219 0.40353 7.82313
60 2XT3 ADP 0.001439 0.49483 8.16327
61 4B47 GDP 0.007424 0.44635 8.16327
62 5JCZ GDP 0.01942 0.40327 8.16327
63 5TIV A3P 0.001356 0.41135 8.3004
64 4QOS ADP 0.01961 0.41263 9.0566
65 5FTB ANP 0.008647 0.43028 9.52381
66 3DZD ADP 0.008044 0.42808 9.52381
67 1QHH ATP 0.0131 0.42507 10.4348
68 4A4Z ANP 0.004465 0.45324 10.8844
69 1I4D GDP 0.01891 0.42476 10.9375
70 3BFV ADP 0.004628 0.45244 11.0701
71 3WBG 2AN 0.0252 0.40396 11.1111
72 1ZJ6 G3D 0.006192 0.44155 11.2299
73 1INN MET 0.04849 0.40408 11.4458
74 4CVN ADP 0.001163 0.49487 11.5183
75 1JI0 ATP 0.02002 0.4277 11.6667
76 2QN6 GDP 0.005585 0.4529 11.828
77 1HE1 GDP 0.009326 0.41496 11.9318
78 1JJ7 ADP 0.004361 0.47072 12.3077
79 4IEE AGS 0.02564 0.4177 13.2653
80 4GOX A3P 0.00004076 0.40857 14.2857
81 1T8U A3P 0.00003533 0.40231 15.8088
82 5KSP GDP 0.004849 0.44692 16.3158
83 3WY9 GDP 0.004653 0.4571 25
84 2OM2 GDP 0.01472 0.40591 30.5556
85 3MGB PAP 0.000000005123 0.50076 31.6327
86 5MEX SZZ 0.00000000006626 0.65652 42.8571
87 5MEX PAP 0.00000000002366 0.54936 42.8571
Feedback