Receptor
PDB id Resolution Class Description Source Keywords
2GWH 1.8 Å EC: 2.8.2.- HUMAN SULFOTRANFERASE SULT1C2 IN COMPLEX WITH PAP AND PENTACHLOROPHENOL HOMO SAPIENS SULFOTRANSFERASE SULFATE CONJUGATION PENTACHLOROPHENOL PAPESTICIDE STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTTRANSFERASE
Ref.: STRUCTURAL AND CHEMICAL PROFILING OF THE HUMAN CYTO SULFOTRANSFERASES. PLOS BIOL. V. 5 E97 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A3P A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
PCI A:402;
B:402;
B:501;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
266.337 C6 H Cl5 O c1(c(...
UNX A:1003;
A:1004;
A:1006;
B:1001;
B:1002;
B:1005;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data n/a n/a X n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GWH 1.8 Å EC: 2.8.2.- HUMAN SULFOTRANFERASE SULT1C2 IN COMPLEX WITH PAP AND PENTACHLOROPHENOL HOMO SAPIENS SULFOTRANSFERASE SULFATE CONJUGATION PENTACHLOROPHENOL PAPESTICIDE STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTTRANSFERASE
Ref.: STRUCTURAL AND CHEMICAL PROFILING OF THE HUMAN CYTO SULFOTRANSFERASES. PLOS BIOL. V. 5 E97 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2GWH - PCI C6 H Cl5 O c1(c(c(c(c....
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: A3P; Similar ligands found: 387
No: Ligand ECFP6 Tc MDL keys Tc
1 A3P 1 1
2 PAP 0.835616 0.985507
3 PPS 0.802632 0.871795
4 3AM 0.794118 0.956522
5 AMP 0.684932 0.971014
6 A 0.684932 0.971014
7 A2P 0.684211 0.985294
8 7D5 0.666667 0.902778
9 2AM 0.635135 0.942857
10 A A A 0.611111 0.90411
11 ATR 0.595238 0.971014
12 A2D 0.594937 0.943662
13 ABM 0.594937 0.916667
14 ADP 0.592593 0.971429
15 SRA 0.589744 0.917808
16 A A 0.586957 0.943662
17 RAB 0.585714 0.816901
18 XYA 0.585714 0.816901
19 ADN 0.585714 0.816901
20 AN2 0.585366 0.957747
21 A22 0.58427 0.957747
22 PUA 0.583333 0.883117
23 AMP MG 0.582278 0.890411
24 0WD 0.580952 0.894737
25 A12 0.580247 0.931507
26 AP2 0.580247 0.931507
27 BA3 0.580247 0.943662
28 ATP A A A 0.578947 0.929577
29 25A 0.577778 0.971429
30 AGS 0.576471 0.918919
31 SAP 0.576471 0.918919
32 B4P 0.573171 0.943662
33 AP5 0.573171 0.943662
34 ATP 0.571429 0.971429
35 OVE 0.56962 0.90411
36 7D3 0.567901 0.90411
37 2A5 0.564706 0.917808
38 AQP 0.564706 0.971429
39 APC 0.564706 0.931507
40 5FA 0.564706 0.971429
41 V3L 0.563218 0.971429
42 APU 0.563107 0.918919
43 PAX 0.5625 0.85
44 ETB 0.559633 0.809524
45 DCA 0.559633 0.8
46 CA0 0.559524 0.917808
47 AU1 0.559524 0.944444
48 ADX 0.559524 0.848101
49 M33 0.559524 0.930556
50 A2R 0.555556 0.957747
51 BEF ADP 0.552941 0.88
52 ACP 0.552941 0.944444
53 ADP BEF 0.552941 0.88
54 50T 0.552941 0.930556
55 COA 0.54955 0.8
56 0T1 0.54955 0.8
57 AR6 0.546512 0.943662
58 PRX 0.546512 0.891892
59 APR 0.546512 0.943662
60 TAT 0.545455 0.931507
61 ACQ 0.545455 0.944444
62 D5M 0.54321 0.902778
63 DA 0.54321 0.902778
64 7D4 0.541176 0.90411
65 ADP MG 0.541176 0.90411
66 RBY 0.54023 0.905405
67 AD9 0.54023 0.944444
68 ADV 0.54023 0.905405
69 ADQ 0.537634 0.917808
70 30N 0.535088 0.731183
71 AMX 0.535088 0.809524
72 CAO 0.535088 0.772727
73 COS 0.535088 0.781609
74 CMX 0.530435 0.8
75 SCO 0.530435 0.8
76 SON 0.529412 0.931507
77 GAP 0.52809 0.891892
78 ANP 0.52809 0.944444
79 7D7 0.527778 0.763889
80 5N5 0.527027 0.791667
81 OOB 0.526882 0.930556
82 NA7 0.526316 0.931507
83 FAM 0.525862 0.781609
84 ACO 0.525862 0.772727
85 FCX 0.525862 0.772727
86 ADP PO3 0.522727 0.942857
87 5AL 0.522222 0.930556
88 HAX 0.521368 0.781609
89 A4D 0.52 0.791667
90 5CD 0.52 0.802817
91 FYN 0.516949 0.8
92 3KK 0.516949 0.781609
93 ATP MG 0.516854 0.90411
94 ATF 0.516484 0.931507
95 00A 0.515789 0.881579
96 DLL 0.515789 0.930556
97 DTA 0.512821 0.783784
98 COK 0.512605 0.781609
99 OXK 0.512605 0.781609
100 CA6 0.512605 0.708333
101 MCD 0.512605 0.781609
102 SOP 0.512605 0.781609
103 SRP 0.51087 0.905405
104 VO4 ADP 0.51087 0.930556
105 ADP VO4 0.51087 0.930556
106 ADP BMA 0.510417 0.891892
107 25L 0.510204 0.957747
108 G A A A 0.509091 0.87013
109 CMC 0.508333 0.781609
110 NMX 0.508333 0.73913
111 CO6 0.508333 0.781609
112 1VU 0.508333 0.772727
113 MTA 0.506329 0.77027
114 A3G 0.506024 0.773333
115 PAJ 0.505263 0.858974
116 A U 0.504673 0.868421
117 CAJ 0.504132 0.781609
118 SCD 0.504132 0.8
119 2MC 0.504132 0.747253
120 ALF ADP 0.5 0.868421
121 A1S 0.5 0.781609
122 1HE 0.5 0.764045
123 PTJ 0.5 0.894737
124 3OD 0.5 0.917808
125 EP4 0.5 0.75
126 3HC 0.5 0.790698
127 FYA 0.5 0.90411
128 MLC 0.5 0.781609
129 BCO 0.5 0.781609
130 IVC 0.5 0.790698
131 MAP 0.5 0.918919
132 ADP ALF 0.5 0.868421
133 MCA 0.495935 0.772727
134 COO 0.495935 0.781609
135 YE1 0.495935 0.790698
136 CAA 0.495935 0.790698
137 U A C C 0.495575 0.857143
138 3UK 0.494845 0.917808
139 OAD 0.494845 0.917808
140 8QN 0.494737 0.930556
141 5SV 0.494737 0.846154
142 ANP MG 0.494624 0.893333
143 6RE 0.493976 0.75641
144 101 0.493976 0.902778
145 3DH 0.493827 0.77027
146 M2T 0.493671 0.730769
147 5AD 0.493151 0.742857
148 MC4 0.491935 0.73913
149 SCA 0.491935 0.781609
150 2CP 0.491935 0.772727
151 U A G G 0.491071 0.881579
152 WAQ 0.489796 0.881579
153 A1R 0.489583 0.881579
154 AMO 0.489583 0.905405
155 4AD 0.489583 0.893333
156 AOC 0.488095 0.819444
157 3CP 0.488 0.781609
158 COF 0.488 0.764045
159 COW 0.488 0.772727
160 IRC 0.488 0.790698
161 2KQ 0.488 0.764045
162 1GZ 0.488 0.772727
163 CA8 0.488 0.708333
164 BYC 0.488 0.781609
165 HGG 0.488 0.781609
166 Y3J 0.486842 0.722222
167 FA5 0.485149 0.905405
168 1ZZ 0.484848 0.8375
169 AHX 0.484536 0.87013
170 DAL AMP 0.484211 0.90411
171 BCA 0.484127 0.772727
172 FAQ 0.484127 0.781609
173 4CA 0.484127 0.772727
174 AV2 0.483871 0.916667
175 DAT 0.483146 0.90411
176 5X8 0.483146 0.76
177 5AS 0.482759 0.776471
178 APC G U 0.482456 0.857143
179 ANZ 0.480769 0.820513
180 3AD 0.480519 0.828571
181 HXC 0.480315 0.764045
182 GRA 0.480315 0.781609
183 3AT 0.478261 0.971429
184 A3S 0.477273 0.783784
185 TGC 0.476562 0.772727
186 9SN 0.475248 0.87013
187 LAD 0.474747 0.858974
188 PR8 0.474747 0.848101
189 CO8 0.472868 0.764045
190 CIC 0.472868 0.781609
191 2NE 0.472868 0.764045
192 CCQ 0.472868 0.747253
193 1CZ 0.472868 0.772727
194 S0N 0.472868 0.781609
195 A5D 0.472527 0.783784
196 DSH 0.470588 0.721519
197 YAP 0.470588 0.893333
198 BIS 0.47 0.906667
199 ME8 0.47 0.8375
200 TXA 0.47 0.905405
201 NB8 0.47 0.87013
202 MYA 0.469231 0.764045
203 5F9 0.469231 0.764045
204 DCC 0.469231 0.764045
205 4CO 0.469231 0.772727
206 ST9 0.469231 0.764045
207 UCC 0.469231 0.764045
208 MFK 0.469231 0.764045
209 0FQ 0.469231 0.781609
210 A3T 0.466667 0.794521
211 U A A U 0.466667 0.906667
212 0ET 0.465649 0.764045
213 01A 0.465649 0.747253
214 TM1 0.465347 0.792683
215 J7C 0.465116 0.766234
216 AS 0.465116 0.855263
217 IMO 0.465116 0.928571
218 PO4 PO4 A A A A PO4 0.464646 0.928571
219 ZAS 0.464286 0.763158
220 DTP 0.462366 0.90411
221 CS8 0.462121 0.755556
222 1CV 0.462121 0.781609
223 WCA 0.462121 0.764045
224 4UV 0.461538 0.893333
225 NJP 0.460177 0.918919
226 S4M 0.45977 0.662791
227 NHW 0.458647 0.764045
228 4KX 0.458647 0.755556
229 NHM 0.458647 0.764045
230 HDC 0.458647 0.764045
231 UOQ 0.458647 0.764045
232 LAQ 0.457944 0.8375
233 JB6 0.455446 0.881579
234 NDP 0.455357 0.894737
235 NPW 0.455357 0.860759
236 MRS 0.455224 0.764045
237 HFQ 0.455224 0.764045
238 MRR 0.455224 0.764045
239 UPA 0.454545 0.881579
240 MAO 0.454545 0.756098
241 GGZ 0.453608 0.822785
242 NEC 0.453488 0.72
243 AFH 0.45283 0.858974
244 4UU 0.45283 0.893333
245 NHQ 0.452555 0.790698
246 TYR AMP 0.451923 0.88
247 XAH 0.451923 0.8375
248 YNC 0.451852 0.772727
249 DAK 0.451852 0.755556
250 SAH 0.451613 0.74026
251 G5A 0.451613 0.776471
252 MYR AMP 0.45098 0.814815
253 2VA 0.450549 0.773333
254 SFG 0.450549 0.746667
255 4UW 0.449541 0.858974
256 8Z2 0.448529 0.755556
257 A3N 0.448276 0.76
258 A U C C 0.448 0.846154
259 V1N 0.447619 0.916667
260 AMP DBH 0.447619 0.866667
261 ACK 0.447059 0.885714
262 103 0.447059 0.861111
263 QQY 0.447059 0.837838
264 3NZ 0.445545 0.75641
265 TYM 0.445455 0.905405
266 A G U 0.445312 0.8375
267 A7D 0.444444 0.773333
268 XNP 0.443478 0.871795
269 G3A 0.443396 0.894737
270 GJV 0.443182 0.746835
271 NVA 2AD 0.44086 0.74026
272 SA8 0.44086 0.703704
273 48N 0.440367 0.87013
274 YLP 0.440367 0.817073
275 WMP 0.439655 0.864865
276 AR6 AR6 0.439252 0.916667
277 G5P 0.439252 0.894737
278 G3D 0.438776 0.905405
279 D3Y 0.438776 0.763158
280 TSB 0.438776 0.795181
281 TXP 0.438596 0.894737
282 ZZB 0.438596 0.792683
283 NZQ 0.438596 0.883117
284 A5A 0.4375 0.804878
285 NAX 0.436364 0.848101
286 UP5 0.436364 0.893333
287 DND 0.436364 0.905405
288 NAI 0.436364 0.881579
289 NXX 0.436364 0.905405
290 SAI 0.43617 0.730769
291 VRT 0.43617 0.74359
292 SO8 0.43617 0.763158
293 1HA 0.435714 0.764045
294 A6D 0.435644 0.719512
295 QQX 0.435294 0.826667
296 GTA 0.435185 0.860759
297 TAD 0.435185 0.858974
298 ODP 0.434783 0.883117
299 SMM 0.43299 0.682353
300 SSA 0.43299 0.776471
301 01K 0.432624 0.781609
302 OMR 0.432432 0.82716
303 DDS 0.431579 0.876712
304 139 0.429825 0.848101
305 COT 0.429577 0.781609
306 VMS 0.428571 0.785714
307 AP0 0.428571 0.87013
308 52H 0.428571 0.776471
309 4TC 0.428571 0.87013
310 CC5 0.428571 0.814286
311 54H 0.428571 0.785714
312 DZD 0.42735 0.858974
313 LPA AMP 0.427273 0.814815
314 AAT 0.427083 0.703704
315 EEM 0.427083 0.686747
316 7MD 0.425926 0.8375
317 3D1 0.425 0.77027
318 3L1 0.425 0.77027
319 53H 0.424242 0.776471
320 5CA 0.424242 0.776471
321 MHZ 0.423913 0.694118
322 CA3 0.423611 0.781609
323 TXD 0.423423 0.881579
324 6V0 0.423423 0.87013
325 DG1 0.422764 0.894737
326 TAP 0.422764 0.906667
327 1DG 0.422764 0.894737
328 38Y 0.422414 0.804878
329 IOT 0.421053 0.829268
330 U G A 0.419847 0.8375
331 TXE 0.419643 0.881579
332 S7M 0.418367 0.686747
333 AHZ 0.418182 0.814815
334 ARG AMP 0.418182 0.82716
335 P5A 0.417476 0.741573
336 T5A 0.417391 0.817073
337 SAM 0.416667 0.686747
338 YLC 0.415929 0.8375
339 7MC 0.415929 0.817073
340 YLB 0.415929 0.817073
341 CPA 0.415929 0.825
342 DSZ 0.415842 0.776471
343 NSS 0.415842 0.776471
344 LSS 0.415842 0.758621
345 AAM 0.41573 0.971014
346 NAP 0.414634 0.944444
347 CNA 0.413793 0.905405
348 RP1 0.413793 0.864865
349 SP1 0.413793 0.864865
350 A4P 0.412281 0.819277
351 NVA LMS 0.411765 0.758621
352 YSA 0.411215 0.776471
353 8BR 0.411111 0.905405
354 5J9 0.409524 0.728395
355 CA5 0.409396 0.747253
356 ITT 0.408602 0.915493
357 NA0 0.408 0.931507
358 LEU LMS 0.407767 0.758621
359 HMG 0.407407 0.75
360 LA8 ALF 3PG 0.40708 0.835443
361 ALF ADP 3PG 0.40708 0.835443
362 AF3 ADP 3PG 0.40708 0.835443
363 COD 0.40678 0.788235
364 NAD 0.40678 0.930556
365 93P 0.406667 0.772727
366 UCA 0.406667 0.764045
367 2BA 0.406593 0.942029
368 CMP 0.406593 0.927536
369 71V 0.406593 0.881579
370 6C6 0.40625 0.88
371 GEK 0.405941 0.734177
372 12D 0.405405 0.783133
373 ADJ 0.405172 0.82716
374 YLA 0.405172 0.817073
375 GSU 0.403846 0.776471
376 KAA 0.403846 0.75
377 BT5 0.403361 0.829268
378 3GP 0.402174 0.891892
379 6IA 0.402062 0.835443
380 0UM 0.401961 0.695122
381 AYB 0.401709 0.807229
382 M24 0.401639 0.848101
383 PLM COA 0.40146 0.733333
384 COA MYR 0.40146 0.733333
385 COA PLM 0.40146 0.733333
386 J7V 0.4 0.809524
387 A3D 0.4 0.917808
Ligand no: 2; Ligand: PCI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PCI 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GWH; Ligand: PCI; Similar sites found: 12
This union binding pocket(no: 1) in the query (biounit: 2gwh.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KF3 FRU 0.008209 0.42599 3.02013
2 1GUI BGC BGC BGC BGC BGC BGC 0.01335 0.40403 3.22581
3 1ZM1 BGC BGC BGC 0.01265 0.40307 3.3195
4 4KQW NAP 0.0353 0.40361 3.3557
5 3B6Z CO7 0.02781 0.40683 3.69128
6 2QO4 CHD 0.02226 0.40827 3.96825
7 1WUB OTP 0.04921 0.40249 4.49438
8 3VQ2 LP4 LP5 MYR DAO 0.02865 0.41498 7.63889
9 1PSC EBP 0.01046 0.40996 8.05369
10 5D48 L96 0.01895 0.40785 9.21053
11 1Y0G 8PP 0.0483 0.40292 10.4712
12 5HZ9 5M8 0.009742 0.40849 14.8148
Pocket No.: 2; Query (leader) PDB : 2GWH; Ligand: PCI; 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: 2gwh.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2GWH; Ligand: PCI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2gwh.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2GWH; Ligand: A3P; Similar sites found: 254
This union binding pocket(no: 4) in the query (biounit: 2gwh.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WIC GNP 0.002126 0.43735 1.49813
2 2X77 GDP 0.009985 0.40589 1.5873
3 3U6B GDP 0.001717 0.45201 1.67785
4 3U6K GDP 0.004463 0.42679 1.67785
5 2BVN GNP 0.004558 0.41359 1.67785
6 5KSZ GCP 0.002287 0.41112 1.67785
7 5JBQ GDP 0.001985 0.40256 1.67785
8 1D8T GDP 0.002203 0.4006 1.67785
9 3NKV GNP 0.006283 0.41429 1.71429
10 3BD9 A3P 0.000038 0.47881 1.78571
11 3X1Z GNP 0.008525 0.41122 1.79641
12 1K6M AGS 0.002569 0.42842 2.01342
13 2C9O ADP 0.002548 0.40971 2.01342
14 1ZCB GDP 0.008195 0.40906 2.01342
15 1I8T FAD 0.02526 0.40274 2.01342
16 2C77 GNP 0.008424 0.4019 2.01342
17 5J1J ANP 0.01014 0.40174 2.10526
18 5G41 AP5 0.01484 0.41747 2.24215
19 2GDJ ANP 0.01401 0.4029 2.27273
20 4MKG AP5 0.002539 0.44935 2.30415
21 4MKF AP5 0.003983 0.44112 2.30415
22 3FB4 AP5 0.003235 0.44435 2.31481
23 1GOJ ADP 0.000548 0.48723 2.34899
24 1AZT GSP 0.00271 0.43542 2.34899
25 3NHB ADP 0.005775 0.43398 2.34899
26 4ZG4 VO4 ADP 0.007136 0.40858 2.34899
27 1WF3 GNP 0.01129 0.40422 2.34899
28 3DKP ADP 0.001317 0.40988 2.44898
29 2PL3 ADP 0.0006046 0.41577 2.54237
30 5KSP GDP 0.001543 0.41243 2.63158
31 1Y3A GDP 0.003137 0.42455 2.68456
32 4LC1 GDP 0.005889 0.42101 2.68456
33 1SVK ALF GDP 0.006499 0.41939 2.68456
34 1BH2 GSP 0.006437 0.41821 2.68456
35 1NHX FTB 0.02615 0.40467 2.68456
36 1NHX PEP 0.02509 0.40467 2.68456
37 1S3G AP5 0.003884 0.44058 2.76498
38 1ZIN AP5 0.01506 0.41256 2.76498
39 4X8O AP5 0.01319 0.41995 2.80374
40 3BER AMP 0.006495 0.41897 2.81124
41 5WRJ A3P 0.000009885 0.53852 3.02013
42 5WRI A3P 0.000008722 0.53622 3.02013
43 1TAD GDP 0.005067 0.42298 3.02013
44 1TAD ALF 0.005067 0.42298 3.02013
45 1QF5 GDP 0.01511 0.42041 3.02013
46 4IDN GNP 0.007463 0.40601 3.02013
47 1JJ7 ADP 0.002726 0.45481 3.07692
48 4NON GDP 0.006407 0.41925 3.07692
49 1NF3 GNP 0.006477 0.41369 3.07692
50 1FP6 ADP 0.002865 0.4226 3.11419
51 4PPF FLC 0.001138 0.47586 3.3557
52 4J0Q GDP 0.001342 0.45728 3.3557
53 2QEN ADP 0.00224 0.42325 3.3557
54 1W5T ADP 0.002575 0.42061 3.3557
55 1GOT GDP 0.005531 0.4118 3.3557
56 3CV2 OXL 0.01666 0.41072 3.3557
57 1W5T ANP 0.005878 0.40882 3.3557
58 1S8F GDP 0.006991 0.41516 3.38983
59 4E03 ADP 0.001713 0.41061 3.39806
60 4KVG GTP 0.006471 0.41371 3.57143
61 3BFV ADP 0.0009991 0.41552 3.69004
62 2OBM ADP 0.001961 0.4612 3.69128
63 5VGR GDP 0.000666 0.44622 3.69128
64 4PJ3 ANP 0.0009855 0.43283 3.69128
65 4ITR GDP 0.003125 0.419 3.69128
66 2IS6 ADP 0.001216 0.41113 3.69128
67 2XTZ GSP 0.007758 0.41014 3.69128
68 3IO3 ADP 0.00802 0.401 3.69128
69 1D5C GDP 0.00155 0.43023 3.7037
70 2OFW ADX 0.01219 0.41594 3.84615
71 3Q9L ATP 0.008643 0.40883 3.84615
72 1VG8 GNP 0.007244 0.413 3.86473
73 3E5H GNP 0.005787 0.4159 3.93258
74 5TIV A3P 0.0002385 0.50168 3.95257
75 4WOP CTP 0.003239 0.42027 4
76 4AG5 ADP 0.0005745 0.48666 4.02685
77 2B8W ALF 5GP 0.001145 0.44591 4.02685
78 2FAH GDP 0.0006534 0.44051 4.02685
79 2ZR9 DTP 0.002896 0.43581 4.02685
80 2ZFI ADP 0.003718 0.4306 4.02685
81 4HSE ADP 0.003409 0.42776 4.02685
82 5IRR GSP 0.002618 0.4021 4.02685
83 2FFQ GSP 0.002806 0.4317 4.09357
84 1FNN ADP 0.001526 0.42431 4.36242
85 3VMF GTP 0.01014 0.40488 4.36242
86 3DZD ADP 0.004924 0.40306 4.36242
87 4P3Y GDP 0.001312 0.40338 4.3956
88 3KRR DQX 0.03715 0.40858 4.40678
89 2EFE GNH 0.003545 0.40943 4.41989
90 2PEZ GGZ 0.007009 0.42046 4.46927
91 2PEZ DAT 0.007009 0.42046 4.46927
92 4XVU ATP 0.001164 0.44377 4.51977
93 4XTR ATP 0.001276 0.442 4.51977
94 4XTR ADP 0.001046 0.43986 4.51977
95 2WOJ ADP ALF 0.0025 0.43398 4.51977
96 4LPS GDP 0.01126 0.40343 4.54545
97 1G3Q ADP 0.003736 0.4259 4.64135
98 2DPY ADP 0.003419 0.44259 4.69799
99 1SQ5 ADP 0.002105 0.43755 4.69799
100 2FNA ADP 0.000361 0.43532 4.69799
101 1G7S GDP 0.003605 0.42662 4.69799
102 2BIF ANP 0.009609 0.4153 4.69799
103 2BIF SIN 0.01512 0.4153 4.69799
104 3M1I GTP 0.01175 0.40344 4.69799
105 1Z6T ADP 0.007337 0.40075 4.69799
106 2XTN GTP 0.007264 0.40823 4.70085
107 1R2Q GNP 0.008412 0.41918 4.70588
108 4DSU GDP 0.004798 0.42113 4.7619
109 1G8S MET 0.006076 0.43338 4.78261
110 2WJG GDP 0.002837 0.43624 4.78723
111 1R4A GNP 0.007785 0.40851 4.84848
112 5L3S GNP 0.008194 0.40751 5.06757
113 4BQS ADP 0.003202 0.43372 5.11364
114 4YLG GDP 0.003183 0.4166 5.20231
115 5SZH GNP 0.007296 0.41286 5.22876
116 5KUT GDP 0.002868 0.40226 5.29101
117 2RGX AP5 0.01516 0.41432 5.33981
118 4P4T GDP 0.00175 0.42138 5.36913
119 4WZA ADP 0.0298 0.41218 5.36913
120 4WZA ACP 0.03675 0.40758 5.36913
121 1XP8 AGS 0.001508 0.40269 5.36913
122 3CX8 GSP 0.01239 0.40515 5.41872
123 2WJH GDP 0.003197 0.40022 5.42169
124 1KY3 GDP 0.006101 0.40009 5.49451
125 3N5C GDP 0.002154 0.44197 5.55556
126 1UJ2 ADP 0.01397 0.40001 5.55556
127 1NN5 ANP 0.01623 0.40228 5.5814
128 2ODE ALF GDP 0.004489 0.42539 5.67376
129 1M7G ADX 0.01798 0.40021 5.6872
130 1M7G AV2 0.01691 0.40021 5.6872
131 2NCD ADP 0.001138 0.47073 5.7047
132 3WY9 GDP 0.001735 0.4518 5.7047
133 1DAR GDP 0.001257 0.4101 5.7047
134 3WYA GDP 0.001682 0.40476 5.7047
135 1E96 GTP 0.004503 0.42082 5.72917
136 3SBD GNP 0.002904 0.42943 5.88235
137 5DIF GNP 0.009952 0.40672 5.90717
138 5UWT GNP 0.01052 0.40562 5.90717
139 5UWH GNP 0.01071 0.40526 5.90717
140 5DI9 GNP 0.01438 0.40083 5.90717
141 5UWI GNP 0.01343 0.4008 5.90717
142 5UWR GNP 0.01349 0.40071 5.90717
143 5UWP GNP 0.01489 0.40013 5.90717
144 1MH1 GNP 0.006884 0.41401 5.91398
145 2W58 ADP 0.001484 0.4724 5.94059
146 3RWO GDP 0.007155 0.41173 5.94595
147 1G4U GDP 0.004093 0.40559 5.97826
148 4R43 GDP 0.002117 0.44233 6.04027
149 5IRN ADP 0.004328 0.40578 6.04027
150 4PFO ADP 0.01078 0.40368 6.04027
151 3T5G GDP 0.003941 0.40328 6.07735
152 3PQC GDP 0.003927 0.42057 6.15385
153 1XTQ GDP 0.007585 0.40739 6.21469
154 5BQ5 ADP BEF 0.00858 0.40504 6.34921
155 3LRE ADP 0.0004475 0.49303 6.37584
156 4DKX GDP 0.004314 0.4275 6.48148
157 4HAT GNP 0.01401 0.40135 6.48148
158 3B7G ANP 0.0009466 0.45378 6.52174
159 1LFD GNP 0.006627 0.41324 6.58683
160 4HDO GNP 0.007161 0.41323 6.58683
161 4HDQ GNP 0.009901 0.40683 6.58683
162 1CLU DBG 0.01167 0.41979 6.62651
163 1IHU AF3 0.006907 0.4075 6.71141
164 1IHU ADP 0.007741 0.407 6.71141
165 1JJV ATP 0.0005019 0.40287 6.79612
166 4D0G GTP 0.007915 0.40487 6.85714
167 3A1S GDP 0.003577 0.42678 6.97674
168 2BME GNP 0.00662 0.41326 6.98925
169 5WDR GNP 0.005951 0.41688 7.01754
170 5M04 GDP 0.001219 0.40498 7.22222
171 1OIX GDP 0.006929 0.41236 7.32984
172 2A5J GDP 0.007032 0.409 7.32984
173 1ZJ6 G3D 0.002804 0.40248 7.48663
174 1LVG ADP 0.001156 0.40038 7.57576
175 1EK0 GNP 0.00329 0.42699 7.64706
176 3WYG GTP 0.01128 0.40566 7.69231
177 3B9Q MLI 0.0008131 0.48477 7.71812
178 2V7Q ATP 0.0007913 0.43122 7.71812
179 1W0J ADP 0.001091 0.43078 7.71812
180 1KK1 GNP 0.001164 0.40431 7.71812
181 3KUD GDP 0.006208 0.40777 7.83133
182 1WQ1 GDP 0.001534 0.40631 7.83133
183 1ZD9 GDP 0.0008876 0.43372 7.97872
184 1NJF AGS 0.004944 0.41397 8
185 1NJF ADP 0.006799 0.40416 8
186 5GOE GDP 0.002315 0.43105 8.05369
187 1YZQ GNP 0.003679 0.42637 8.23529
188 1GRN GDP 0.002289 0.42285 8.37438
189 3ZQ6 ADP ALF 0.005088 0.41997 8.38926
190 5UQW GDP 0.01044 0.40277 8.46561
191 3BC1 GNP 0.00409 0.42272 8.47458
192 3AB3 GDP 0.005216 0.41112 8.53659
193 1P7T PYR 0.01309 0.42164 8.72483
194 4ZNL BEF ADP 0.001495 0.41436 8.75912
195 1GXU 2HP 0.0005382 0.49895 8.79121
196 1OW3 GDP 0.002549 0.42081 8.80829
197 1ZC3 GNP 0.008765 0.40923 8.84956
198 3VX3 ADP 0.005059 0.4098 8.87097
199 1JWY GDP 0.001385 0.42707 9.0604
200 1H65 GDP 0.004561 0.41553 9.0604
201 2G77 GDP 0.002413 0.42184 9.09091
202 5HPY GDP 0.002794 0.41907 9.18919
203 3LXR GDP 0.006709 0.40993 9.18919
204 1KMQ GNP 0.006435 0.41059 9.23913
205 2C5L GTP 0.007023 0.41361 9.24856
206 2CBZ ATP 0.001144 0.47123 9.2827
207 1CXZ GSP 0.00624 0.40947 9.34066
208 4K81 GTP 0.01176 0.40483 9.35672
209 4ZKD GDP 0.004318 0.42321 9.39597
210 4XOI GTP 0.007079 0.41037 9.44444
211 5O2T GSP 0.005974 0.41681 9.46746
212 3DDC GNP 0.006406 0.41543 9.63855
213 2W2X GSP 0.006306 0.40747 9.67742
214 3RAB GNP 0.00414 0.42248 10.0592
215 1NVV GNP 0.006499 0.41514 10.0671
216 1NVU GTP 0.009299 0.40807 10.0671
217 1TU3 GNP 0.004586 0.42047 10.1266
218 1D2N ANP 0.002144 0.42819 10.2941
219 5HR5 ADP 0.001952 0.42586 10.4027
220 1NY5 ADP 0.00393 0.4126 10.4027
221 2QTV GNP 0.006683 0.4115 10.7383
222 1M2O GNP 0.007272 0.41141 10.7383
223 4LX0 BEF GDP 0.01154 0.4038 11.2994
224 5UFQ GNP 0.004515 0.42077 11.4754
225 4C4P GNP 0.01112 0.40453 11.5607
226 2HV8 GTP 0.009446 0.40627 11.6279
227 1JI0 ATP 0.007387 0.42566 11.6667
228 2D7C GTP 0.008541 0.40825 11.976
229 2VB6 ADP BEF 0.01071 0.40067 14.094
230 1B7T ADP 0.008883 0.40435 14.1026
231 3ZIA ADP 0.003338 0.41081 14.2857
232 1KK8 BEF ADP 0.005978 0.40464 14.2857
233 4KAX GTP 0.008826 0.40276 14.2857
234 4YDS ATP 0.00314 0.44446 14.4737
235 2CHG ANP 0.005363 0.40869 14.6018
236 3A4M ADP 0.0005697 0.41179 14.7651
237 5LB3 ADP 0.0008641 0.41007 14.7651
238 2IYL GDP 0.003845 0.4299 15.1408
239 1UAD GNP 0.007104 0.41187 15.1515
240 1VKJ A3P 0.000006747 0.53861 15.4362
241 3TNF GNP 0.002564 0.43503 15.5172
242 1KAO GDP 0.006472 0.40313 15.5689
243 2VOH CIT 0.0367 0.41032 15.9236
244 1ZRH A3P 0.00002351 0.51469 16.4234
245 1S9D GDP 0.004226 0.42339 17.2414
246 4GOX A3P 0.00003556 0.46792 17.4497
247 3B5J 12D 0.01877 0.40509 18.107
248 1T8U A3P 0.00001482 0.52354 18.3824
249 1T8U UAP SGN IDS SGN 0.00007791 0.52113 18.3824
250 4CVN ADP 0.001287 0.46403 19.8953
251 2UZI GTP 0.00513 0.41827 21.1538
252 4GBM A3P 0.00003402 0.46828 22.8188
253 5UWS GNP 0.01044 0.4072 36.3636
254 1X8J A3P 0.0000000001273 0.51204 47.3154
Pocket No.: 5; Query (leader) PDB : 2GWH; Ligand: A3P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2gwh.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback