Receptor
PDB id Resolution Class Description Source Keywords
3HU3 2.2 Å EC: 3.-.-.- STRUCTURE OF P97 N-D1 R155H MUTANT IN COMPLEX WITH ATPGS HOMO SAPIENS P97 VCP TRANSPORT PROTEIN
Ref.: A NOVEL ATP-DEPENDENT CONFORMATION IN P97 N-D1 FRAG REVEALED BY CRYSTAL STRUCTURES OF DISEASE-RELATED M EMBO J. V. 29 2217 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AGS A:800;
B:800;
Valid;
Valid;
none;
none;
Kd = 0.13 uM
523.247 C10 H16 N5 O12 P3 S c1nc(...
MG A:801;
B:801;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HU3 2.2 Å EC: 3.-.-.- STRUCTURE OF P97 N-D1 R155H MUTANT IN COMPLEX WITH ATPGS HOMO SAPIENS P97 VCP TRANSPORT PROTEIN
Ref.: A NOVEL ATP-DEPENDENT CONFORMATION IN P97 N-D1 FRAG REVEALED BY CRYSTAL STRUCTURES OF DISEASE-RELATED M EMBO J. V. 29 2217 2010
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 4KO8 - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
2 3HU3 Kd = 0.13 uM AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
3 5DYG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 4KO8 - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
2 3HU3 Kd = 0.13 uM AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
3 5DYG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 4KO8 - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
2 3HU3 Kd = 0.13 uM AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
3 5DYG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AGS; Similar ligands found: 407
No: Ligand ECFP6 Tc MDL keys Tc
1 AGS 1 1
2 SAP 1 1
3 BA3 0.887324 0.92
4 B4P 0.875 0.92
5 AP5 0.875 0.92
6 A2D 0.859155 0.92
7 ATP 0.84 0.945946
8 AQP 0.828947 0.945946
9 5FA 0.828947 0.945946
10 AN2 0.813333 0.933333
11 ADP 0.8 0.945946
12 APR 0.782051 0.92
13 AR6 0.782051 0.92
14 M33 0.779221 0.907895
15 AD9 0.772152 0.921053
16 ACP 0.769231 0.921053
17 SRA 0.756757 0.972973
18 A22 0.75 0.933333
19 50T 0.746835 0.907895
20 AMP 0.743243 0.918919
21 A 0.743243 0.918919
22 ADX 0.734177 0.9
23 CA0 0.734177 0.896104
24 ADQ 0.732558 0.896104
25 ACQ 0.731707 0.921053
26 ANP 0.731707 0.921053
27 25L 0.730337 0.933333
28 PRX 0.716049 0.848101
29 OAD 0.715909 0.896104
30 ATF 0.714286 0.909091
31 ABM 0.714286 0.87013
32 AMP MG 0.701299 0.846154
33 A12 0.696203 0.909091
34 AP2 0.696203 0.909091
35 A1R 0.693182 0.8625
36 TAT 0.690476 0.986486
37 5AL 0.682353 0.883117
38 25A 0.681818 0.92
39 3OD 0.681319 0.896104
40 APC 0.674699 0.909091
41 AU1 0.670732 0.921053
42 ADP MG 0.670732 0.858974
43 SRP 0.666667 0.860759
44 BEF ADP 0.662651 0.8375
45 ADP BEF 0.662651 0.8375
46 G3A 0.65625 0.875
47 4AD 0.655556 0.873418
48 AFH 0.649485 0.841463
49 G5P 0.649485 0.875
50 00A 0.648352 0.839506
51 ADV 0.647059 0.884615
52 ADP PO3 0.647059 0.893333
53 RBY 0.647059 0.884615
54 BIS 0.645161 0.886076
55 OOB 0.644444 0.883117
56 5SV 0.644444 0.807229
57 8QN 0.644444 0.883117
58 GTA 0.642857 0.843373
59 ATP MG 0.639535 0.858974
60 PAJ 0.637363 0.841463
61 AMO 0.637363 0.884615
62 ITT 0.630952 0.893333
63 AHX 0.630435 0.851852
64 DLL 0.630435 0.883117
65 VO4 ADP 0.629214 0.883117
66 ADP VO4 0.629214 0.883117
67 NB8 0.62766 0.851852
68 UP5 0.623762 0.873418
69 3UK 0.623656 0.871795
70 SON 0.619048 0.884615
71 ALF ADP 0.617977 0.82716
72 ADP ALF 0.617977 0.82716
73 OMR 0.617647 0.811765
74 LAD 0.617021 0.819277
75 WAQ 0.617021 0.839506
76 PR8 0.617021 0.809524
77 MAP 0.615385 0.897436
78 GAP 0.613636 0.848101
79 7D4 0.611765 0.858974
80 ANP MG 0.611111 0.85
81 FYA 0.610526 0.858974
82 1ZZ 0.610526 0.8
83 ME8 0.610526 0.821429
84 TXA 0.610526 0.884615
85 PTJ 0.610526 0.851852
86 ATR 0.609195 0.918919
87 PAP 0.609195 0.932432
88 NAX 0.607843 0.831325
89 6V0 0.607843 0.851852
90 NAI 0.607843 0.8625
91 ADP BMA 0.606383 0.871795
92 A4P 0.605769 0.804598
93 A2R 0.604396 0.933333
94 XYA 0.60274 0.8
95 ADN 0.60274 0.8
96 RAB 0.60274 0.8
97 48N 0.598039 0.851852
98 9SN 0.597938 0.829268
99 139 0.59434 0.831325
100 T5A 0.59434 0.802326
101 NXX 0.592233 0.884615
102 DND 0.592233 0.884615
103 TXD 0.592233 0.8625
104 YAP 0.591837 0.85
105 FA5 0.591837 0.860759
106 TXE 0.586538 0.8625
107 XAH 0.585859 0.8
108 A A 0.583333 0.894737
109 AP0 0.580952 0.851852
110 DAL AMP 0.580645 0.858974
111 4UV 0.58 0.85
112 2A5 0.579545 0.871795
113 AOC 0.578313 0.779221
114 COD 0.577982 0.795455
115 A3P 0.576471 0.918919
116 ATP A A A 0.575758 0.881579
117 CNA 0.574074 0.884615
118 LAQ 0.572816 0.865854
119 5AS 0.569767 0.804598
120 4UU 0.568627 0.85
121 YLP 0.567308 0.781609
122 UPA 0.566038 0.8625
123 4TC 0.566038 0.851852
124 YLB 0.566038 0.781609
125 5N5 0.565789 0.776316
126 ADJ 0.564815 0.811765
127 7D3 0.564706 0.858974
128 3AM 0.560976 0.88
129 A4D 0.558442 0.8
130 5CD 0.558442 0.763158
131 A2P 0.55814 0.905405
132 NA7 0.556701 0.909091
133 PPS 0.554348 0.9
134 G5A 0.549451 0.804598
135 GSP 0.547368 0.924051
136 4UW 0.54717 0.819277
137 JB6 0.545455 0.910256
138 3AT 0.543478 0.92
139 TYM 0.542056 0.860759
140 MYR AMP 0.54 0.77907
141 AR6 AR6 0.538462 0.87013
142 EP4 0.5375 0.716049
143 YLC 0.537037 0.8
144 7D5 0.536585 0.833333
145 NAD 0.535714 0.883117
146 M2T 0.530864 0.719512
147 DTA 0.530864 0.792208
148 3DH 0.53012 0.75641
149 2AM 0.53012 0.893333
150 AHZ 0.528302 0.821429
151 IOT 0.527273 0.793103
152 DTP 0.526882 0.858974
153 A3D 0.526316 0.871795
154 SSA 0.526316 0.825581
155 MTA 0.52439 0.75641
156 TYR AMP 0.524272 0.8375
157 YLA 0.522523 0.781609
158 BTX 0.522124 0.845238
159 6AD 0.521277 0.911392
160 AMP DBH 0.519231 0.848101
161 TAD 0.518868 0.8875
162 AYB 0.517857 0.772727
163 BT5 0.517544 0.835294
164 A5A 0.515789 0.833333
165 TSB 0.515464 0.845238
166 6RE 0.511628 0.722892
167 OVE 0.511628 0.933333
168 7DT 0.51087 0.932432
169 V3L 0.510638 0.92
170 AVV 0.510204 0.851852
171 7MD 0.509434 0.821429
172 LPA AMP 0.509259 0.843373
173 0WD 0.508772 0.875
174 NAE 0.508475 0.85
175 VMS 0.505155 0.813953
176 54H 0.505155 0.813953
177 52H 0.505155 0.804598
178 NSS 0.50505 0.825581
179 NAQ 0.504202 0.829268
180 EAD 0.504132 0.831325
181 FB0 0.504 0.769231
182 ZAS 0.5 0.728395
183 ARG AMP 0.5 0.790698
184 53H 0.5 0.804598
185 IMO 0.5 0.88
186 RGT 0.5 0.909091
187 AF3 ADP 3PG 0.5 0.797619
188 ARU 0.5 0.819277
189 ALF ADP 3PG 0.5 0.797619
190 LA8 ALF 3PG 0.5 0.797619
191 J7C 0.5 0.731707
192 5CA 0.5 0.825581
193 AV2 0.5 0.87013
194 NJP 0.5 0.897436
195 ZID 0.5 0.871795
196 A3N 0.5 0.746835
197 M24 0.5 0.809524
198 NPW 0.495575 0.843373
199 NDP 0.495575 0.875
200 DDS 0.494737 0.833333
201 S4M 0.494382 0.655556
202 6FA 0.492188 0.802326
203 DZD 0.491379 0.841463
204 NZQ 0.491228 0.864198
205 P5A 0.490196 0.769231
206 DSZ 0.49 0.825581
207 LSS 0.49 0.786517
208 MAO 0.488889 0.724138
209 DSH 0.488636 0.710843
210 P1H 0.488 0.811765
211 N0B 0.487603 0.781609
212 YLY 0.487395 0.772727
213 ODP 0.486957 0.864198
214 NVA LMS 0.485149 0.786517
215 FAS 0.484615 0.811765
216 SFD 0.484615 0.776596
217 FAD 0.484615 0.811765
218 FDA 0.484375 0.795455
219 5X8 0.483871 0.746835
220 DAT 0.483871 0.858974
221 NAJ PZO 0.483051 0.807229
222 G A A A 0.482759 0.829268
223 7MC 0.482143 0.802326
224 62F 0.481203 0.821429
225 PO4 PO4 A A A A PO4 0.480392 0.855263
226 LEU LMS 0.480392 0.786517
227 TXP 0.478261 0.875
228 7DD 0.478261 0.932432
229 GJV 0.477778 0.714286
230 NDE 0.47619 0.884615
231 GSU 0.475728 0.804598
232 KAA 0.475728 0.777778
233 5AD 0.474359 0.706667
234 NAD IBO 0.474138 0.82716
235 A3G 0.47191 0.759494
236 XNP 0.470085 0.831325
237 4TA 0.470085 0.770115
238 6C6 0.46875 0.8375
239 GP3 0.46875 0.875
240 NDC 0.46875 0.829268
241 7D7 0.468354 0.705128
242 SFG 0.468085 0.7125
243 YSA 0.46729 0.804598
244 FAY 0.466667 0.821429
245 DCA 0.466667 0.786517
246 ETB 0.466667 0.795455
247 U A G G 0.466102 0.839506
248 A A A 0.466019 0.858974
249 128 0.464286 0.741573
250 RFL 0.463235 0.784091
251 PUA 0.46281 0.841463
252 A7D 0.462366 0.759494
253 FNK 0.459259 0.769231
254 COA 0.459016 0.806818
255 0T1 0.459016 0.786517
256 7C5 0.458716 0.777778
257 A5D 0.458333 0.792208
258 SA8 0.458333 0.674419
259 MHZ 0.457447 0.666667
260 71V 0.456522 0.910256
261 NEC 0.455556 0.708861
262 GGZ 0.455446 0.851852
263 NAJ PYZ 0.455285 0.809524
264 SAI 0.453608 0.698795
265 SAH 0.453608 0.728395
266 Y3J 0.451219 0.688312
267 GEK 0.45098 0.722892
268 AS 0.450549 0.884615
269 4YB 0.45045 0.786517
270 SMM 0.45 0.674157
271 GTP 0.45 0.873418
272 SAM 0.44898 0.678161
273 6IA 0.44898 0.797619
274 TAP 0.448 0.935065
275 CAO 0.448 0.8
276 COS 0.448 0.808989
277 30N 0.448 0.776596
278 AMX 0.448 0.795455
279 AAT 0.444444 0.714286
280 CMX 0.444444 0.786517
281 SCO 0.444444 0.786517
282 EEM 0.444444 0.659091
283 P5F 0.443662 0.786517
284 PGS 0.442105 0.910256
285 FCX 0.440945 0.76087
286 ACO 0.440945 0.8
287 FAM 0.440945 0.769231
288 2SA 0.44 0.884615
289 AMP NAD 0.44 0.8375
290 NAP 0.44 0.896104
291 A U 0.439655 0.82716
292 APU 0.439655 0.85
293 D5M 0.43956 0.833333
294 DA 0.43956 0.833333
295 HAX 0.4375 0.769231
296 1DG 0.436508 0.875
297 Z5A 0.436508 0.744444
298 DG1 0.436508 0.875
299 V1N 0.436364 0.87013
300 S7M 0.435644 0.678161
301 2MC 0.435115 0.774194
302 WSA 0.434783 0.813953
303 AAM 0.434783 0.918919
304 649 0.434783 0.769231
305 3KK 0.434109 0.808989
306 FYN 0.434109 0.806818
307 NMN AMP PO4 0.433333 0.82716
308 NA0 0.433071 0.884615
309 C2R 0.431818 0.857143
310 AMZ 0.431818 0.868421
311 A3S 0.431579 0.769231
312 COK 0.430769 0.808989
313 OXK 0.430769 0.808989
314 SOP 0.430769 0.788889
315 MCD 0.430769 0.769231
316 CA6 0.430769 0.752577
317 GNH 0.43 0.8625
318 101 0.428571 0.833333
319 62X 0.428571 0.637363
320 N6P 0.428571 0.866667
321 F2N 0.427586 0.777778
322 NMX 0.427481 0.729167
323 CMC 0.427481 0.788889
324 1VU 0.427481 0.8
325 CO6 0.427481 0.808989
326 GDD 0.427273 0.841463
327 GKE 0.427273 0.841463
328 GDC 0.427273 0.841463
329 SCA 0.425373 0.808989
330 FA9 0.424658 0.823529
331 A6D 0.424528 0.729412
332 K15 0.424528 0.651685
333 SCD 0.424242 0.786517
334 CAJ 0.424242 0.769231
335 AIR 0.423529 0.853333
336 6K6 0.423077 0.881579
337 A3T 0.42268 0.779221
338 NIA 0.422222 0.783133
339 NHD 0.421488 0.858974
340 12D 0.421053 0.75
341 IVC 0.421053 0.818182
342 A1S 0.421053 0.788889
343 BCO 0.421053 0.808989
344 1HE 0.421053 0.791209
345 3HC 0.421053 0.818182
346 MLC 0.421053 0.808989
347 1CZ 0.42029 0.820225
348 GDP 0.42 0.873418
349 0UM 0.419048 0.666667
350 COO 0.41791 0.808989
351 YE1 0.41791 0.777778
352 MCA 0.41791 0.8
353 CAA 0.41791 0.818182
354 G1R 0.417476 0.8625
355 GCP 0.417476 0.851852
356 NAD CJ3 0.417266 0.837209
357 SXZ 0.416667 0.697674
358 MC4 0.414815 0.765957
359 2CP 0.414815 0.78022
360 PLP AAD 0.414634 0.728261
361 NVA 2AD 0.414141 0.707317
362 ZDA 0.414141 0.820513
363 NAD BBN 0.413043 0.802326
364 KB1 0.412844 0.666667
365 HGG 0.411765 0.808989
366 CA8 0.411765 0.770833
367 COF 0.411765 0.771739
368 BYC 0.411765 0.808989
369 COW 0.411765 0.8
370 U G A 0.411765 0.8
371 MGP 0.411765 0.841463
372 2KQ 0.411765 0.791209
373 3AD 0.411765 0.763158
374 3CP 0.411765 0.788889
375 IRC 0.411765 0.818182
376 1GZ 0.411765 0.8
377 N01 0.41129 0.858974
378 S8M 0.409524 0.743902
379 FAQ 0.408759 0.808989
380 4CA 0.408759 0.78022
381 BCA 0.408759 0.8
382 7RP 0.408602 0.878378
383 2VA 0.408163 0.759494
384 6G0 0.407767 0.841463
385 CO7 0.407407 0.808989
386 26A 0.406977 0.725
387 QQX 0.406593 0.857143
388 GRA 0.405797 0.808989
389 HXC 0.405797 0.791209
390 7RA 0.404255 0.906667
391 FAI 0.404255 0.868421
392 GPG 0.40367 0.864198
393 TGC 0.402878 0.8
394 RP1 0.402174 0.894737
395 QQY 0.402174 0.844156
396 SP1 0.402174 0.894737
397 ACK 0.402174 0.815789
398 TM1 0.4 0.738636
399 CO8 0.4 0.791209
400 CIC 0.4 0.788889
401 U A C C 0.4 0.817073
402 8BR 0.4 0.860759
403 S0N 0.4 0.769231
404 GNP 0.4 0.851852
405 APC G U 0.4 0.795181
406 2NE 0.4 0.791209
407 SLU 0.4 0.816092
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HU3; Ligand: AGS; Similar sites found: 215
This union binding pocket(no: 1) in the query (biounit: 3hu3.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4N7C AEF 0.02695 0.43605 None
2 2E1A MSE 0.02788 0.41699 None
3 2VF7 ADP 0.04147 0.44047 1.02249
4 1UOU CMU 0.003405 0.4453 1.05485
5 1V8K ANP 0.001375 0.41354 1.70732
6 1ONX ASP 0.005423 0.40452 1.79487
7 4AF0 MOA 0.0003051 0.45421 1.84049
8 1J2Z SOG 0.02085 0.40676 1.85185
9 2RCN GDP 0.01111 0.43124 1.95531
10 1UF5 CDT 0.02767 0.41333 1.9802
11 2BO4 FLC 0.0211 0.44165 2.01511
12 2ZSC BTN 0.03066 0.40446 2.12766
13 2XDQ MGX 0.01956 0.45581 2.17391
14 2NZ2 ASP 0.0002211 0.52088 2.17918
15 1KYQ NAD 0.005747 0.42446 2.18978
16 1KYZ SAH 0.0162 0.40658 2.19178
17 2Q37 3AL 0.02156 0.43095 2.20994
18 3VOZ 04A 0.02302 0.40344 2.22222
19 2AG8 NAP 0.00323 0.42736 2.28137
20 1F9V ADP 0.01461 0.4812 2.30548
21 3DER ALA LYS 0.01612 0.40371 2.31884
22 2XT3 ADP 0.009173 0.49278 2.32558
23 1PEA ACM 0.03355 0.43649 2.33766
24 2NCD ADP 0.00006251 0.55505 2.38095
25 2C5S AMP 0.02435 0.41973 2.42131
26 1U5R ATP 0.02291 0.40664 2.45399
27 1QZZ SAM 0.03576 0.40157 2.45399
28 1ZZ7 S0H 0.01823 0.4299 2.52525
29 1SQ5 ADP 0.000009342 0.56148 2.5974
30 3L6R MLI 0.04154 0.4261 2.60116
31 3ZPG 5GP 0.01044 0.47117 2.6178
32 3K3G MMU 0.008774 0.44755 2.64706
33 2ZJ5 ADP 0.001712 0.48486 2.65849
34 3A1I UNU 0.02455 0.41569 2.65849
35 2NVK NAP 0.04536 0.41085 2.66393
36 1XX4 BAM 0.002834 0.47121 2.68199
37 4MOB ADP 0.005012 0.43227 2.71084
38 1FWY UD1 0.001121 0.41367 2.71903
39 1A5Z FBP 0.001836 0.44028 2.82132
40 4HZO COA 0.01798 0.43019 2.83019
41 1EYE PMM 0.02126 0.41481 2.85714
42 2BH9 NAP 0.008576 0.42447 2.86299
43 3MMR ABH 0.006479 0.40448 2.90557
44 1F5F DHT 0.02396 0.40273 2.92683
45 1MVQ MMA 0.001783 0.40999 2.9661
46 1GPJ CIT 0.002509 0.4831 2.9703
47 2BZ1 TAU 0.02445 0.46543 3.06122
48 4WBD CIT 0.01342 0.45817 3.06748
49 3ZZS TRP 0.0005001 0.4164 3.07692
50 4M7F BM3 0.01154 0.43938 3.09735
51 1NY5 ADP 0.005453 0.47935 3.10078
52 4KGM ATP 0.02394 0.41253 3.26531
53 3DG6 MUC 0.01561 0.41706 3.26975
54 4KCT PYR 0.006134 0.44749 3.27198
55 1H16 DTL 0.03832 0.43925 3.27198
56 4KCT FDP 0.008818 0.4316 3.27198
57 1V6A TRE 0.008681 0.45037 3.31325
58 3E5H GNP 0.0003897 0.45044 3.37079
59 4Q3S X7A 0.003709 0.41725 3.37662
60 1XIU REA 0.0225 0.40384 3.47826
61 1CKM GTP 0.01539 0.429 3.63636
62 3CEV ARG 0.01564 0.42868 3.67893
63 2ZWS PLM 0.003694 0.5156 3.68098
64 4RJK PYR 0.02031 0.47038 3.68098
65 2YP9 SIA CMO 0.02825 0.40129 3.68098
66 2Q8H TF4 0.03425 0.44202 3.6855
67 3R51 MMA 0.01116 0.46955 3.75
68 2Q1A 2KT 0.004794 0.41773 3.75427
69 2HNK SAH 0.01894 0.40097 3.76569
70 1FNZ A2G 0.008171 0.40914 3.79747
71 1B0U ATP 0.00008424 0.50782 3.81679
72 3VCA PRO 0.002171 0.47679 3.8835
73 2OWZ CIT 0.003927 0.42093 3.91566
74 3LRE ADP 0.007494 0.50495 3.94366
75 2Z9C DTC 0.007748 0.40178 4
76 4OB6 S2T 0.01106 0.41987 4.10557
77 2JFV FLC 0.0126 0.44768 4.12371
78 4LJ9 ACP 0.004354 0.50129 4.12979
79 2QV7 ADP 0.02403 0.40576 4.1543
80 4M5P MLA 0.001004 0.53841 4.1769
81 3NOJ PYR 0.00153 0.4841 4.20168
82 4LO6 SIA GAL 0.001086 0.51296 4.21053
83 4AF5 CIT 0.02204 0.43535 4.21053
84 9LDT OXM 0.03661 0.44705 4.21687
85 3S9K CIT 0.02006 0.46556 4.23729
86 3PLN U5P 0.01167 0.43914 4.24528
87 3E81 SLB 0.02587 0.42703 4.26829
88 2Z9V PXM 0.002921 0.46774 4.33673
89 3SHR CMP 0.002479 0.46052 4.34783
90 4U9W COA 0.008622 0.42083 4.34783
91 3P7I P7I 0.01873 0.42934 4.36137
92 1WDA BAG 0.03984 0.40973 4.47761
93 4P87 4NP 0.001293 0.42571 4.48878
94 1H0C AOA 0.04528 0.42411 4.59184
95 2F2U M77 0.01503 0.42534 4.72637
96 2ZO9 MLI 0.000657 0.48359 4.74453
97 2WUF KEM 0.007888 0.40687 4.811
98 3QDY CBS 0.01658 0.44715 4.8951
99 4IHQ ADP 0.0001241 0.52555 4.90798
100 3QV9 QV7 0.03331 0.4216 4.90798
101 1CBF SAH 0.01949 0.40958 4.91228
102 3F81 STT 0.0118 0.46818 4.91803
103 1Y7P RIP 0.03503 0.42507 4.93274
104 1LNX URI 0.01411 0.43522 4.93827
105 4E13 NAD 0.01651 0.40048 4.947
106 3GJ5 GDP 0.04584 0.44124 4.97738
107 4NTX AMR 0.004263 0.46267 5
108 3I0O ADP 0.034 0.40926 5.01475
109 2Q09 DI6 0.02897 0.41621 5.04808
110 1Y42 TYR 0.01473 0.43433 5.10204
111 1I0Z OXM 0.009965 0.47231 5.1051
112 3CF6 SP1 0.03113 0.40104 5.11247
113 1A8S PPI 0.01309 0.42603 5.12821
114 2CJW GDP 0.04147 0.44384 5.20833
115 1SS4 CIT 0.0301 0.47088 5.22876
116 1RYI GOA 0.007864 0.49526 5.2356
117 2EB5 OXL 0.01177 0.44919 5.24345
118 2WMO GTP 0.00001777 0.54238 5.26316
119 4LCQ URQ 0.004234 0.40302 5.31697
120 1GJW GLC 0.02613 0.43676 5.33752
121 4QCK ASD 0.005123 0.40803 5.44041
122 4WZ6 ATP 0.03584 0.45883 5.51724
123 2A0S BIO 0.004521 0.41416 5.55556
124 1H65 GDP 0.008577 0.41129 5.55556
125 4JLV ADP 0.001314 0.53707 5.57621
126 4K30 NLG 0.03461 0.41653 5.625
127 1TV5 A26 0.001145 0.44073 5.64334
128 1TV5 N8E 0.002236 0.4407 5.64334
129 1TV5 ORO 0.003976 0.4364 5.64334
130 2HT6 GDP 0.03414 0.45254 5.74713
131 1JJ7 ADP 0.008772 0.50255 5.76923
132 5FHD ADP ALF 0.02154 0.44118 5.77367
133 1NJR XYL 0.005031 0.40306 5.98592
134 4B16 NAG 0.02546 0.45637 6.01504
135 2GN2 C5P 0.0008345 0.46196 6.43275
136 4COQ SAN 0.02421 0.43327 6.47773
137 1EB9 HBA 0.03164 0.40718 6.48855
138 1GXU 2HP 0.0007344 0.44787 6.59341
139 3NGU ADP 0.0045 0.44014 6.62252
140 2CBZ ATP 0.01325 0.49489 6.75105
141 3TFC PEP 0.01404 0.43532 6.75325
142 4PTZ FMN 0.01247 0.41431 6.80628
143 2F59 INI 0.005324 0.42578 7.00637
144 2HVK TBA 0.00395 0.47315 7.07547
145 1NXJ GLV 0.0003393 0.50544 7.10383
146 1NXJ TLA 0.0004715 0.47437 7.10383
147 2C9O ADP 0.000000008877 0.57079 7.23684
148 2DWU DGL 0.004492 0.45374 7.24638
149 2YIP YIO 0.03314 0.45203 7.24638
150 1WKL ADP 0.006976 0.42113 7.29927
151 1WKL ATP 0.008448 0.41783 7.29927
152 1G8S MET 0.003938 0.47322 7.3913
153 4JWX 1N4 0.0205 0.42747 7.5
154 1E4E PHY 0.02312 0.40647 7.58017
155 2Y6P CTP 0.008668 0.4361 7.69231
156 2IZ1 ATR 0.01164 0.44944 7.80591
157 3I8T LBT 0.01297 0.43695 7.92683
158 2BOI MFU 0.02622 0.42234 7.9646
159 2JBH 5GP 0.0197 0.42402 8
160 1ZJ6 G3D 0.03289 0.40643 8.02139
161 3SIX GDP 0.03252 0.40665 8.18182
162 1NU4 MLA 0.02722 0.41747 8.24742
163 1UGX GAL MGC 0.003139 0.40726 8.27068
164 3W5J GDP 0.04021 0.45687 8.33333
165 1LVG ADP 0.0238 0.46615 8.58586
166 2Z5Y HRM 0.0005208 0.43275 8.58896
167 2VQ5 HBA 0.005735 0.47127 8.95522
168 1BTN I3P 0.02656 0.46579 9.43396
169 4IXW IXW 0.04593 0.40682 9.44882
170 1O68 KIV 0.02977 0.41968 9.45455
171 4YMU ATP 0.0389 0.44911 9.54545
172 2VDJ HSE 0.01753 0.45187 9.63455
173 3ZFD ANP 0.043 0.43639 9.97151
174 1S8F GDP 0.0001742 0.45529 10.1695
175 1JJV ATP 0.0144 0.48226 10.1942
176 3GJ7 GDP 0.0404 0.44451 10.2041
177 3EJ0 11X 0.01378 0.43806 10.2041
178 2VAR AMP 0.01586 0.42428 10.2236
179 2VAR ANP 0.01594 0.40106 10.2236
180 2VAR KDF 0.04347 0.40104 10.2236
181 2VAR KDG 0.04392 0.40084 10.2236
182 2FR6 CTN 0.02325 0.40031 10.274
183 1JSH SIA GAL 0.01139 0.40378 10.3448
184 1TUV VK3 0.008517 0.47615 10.5263
185 1K6M AGS 0.01698 0.40002 10.6481
186 3MAG 3MA 0.04075 0.44428 10.7492
187 1ECM TSA 0.02152 0.42223 11.0092
188 3I51 45C 0.01713 0.41894 11.4815
189 4IEN GDP 0.0008687 0.43002 11.6564
190 4CVN ADP 0.04918 0.44664 12.0419
191 1SC3 MLI 0.001729 0.50628 12.5
192 3BY8 MLT 0.007494 0.4652 12.6761
193 2PZE ATP 0.015 0.48852 13.1004
194 1W7J ADP BEF 0.005961 0.42735 13.245
195 4IMG NGF 0.01106 0.41007 13.3106
196 1LSS NAD 0.005188 0.41957 14.2857
197 2B7N NTM 0.04583 0.41469 14.652
198 4G28 0W8 0.01495 0.42958 14.7651
199 1XEX ATP 0.0002802 0.45552 15.6977
200 1UO5 PIH 0.005766 0.50382 17.6471
201 1W0J ADP BEF 0.03866 0.43037 17.6471
202 5BQ5 ADP BEF 0.0381 0.43939 17.9894
203 4PNO U5P 0.0104 0.42462 18.0556
204 3BOS CDP 0.02798 0.45396 18.1818
205 4PPF FLC 0.03537 0.45417 18.8571
206 4XGU ADP 0.003466 0.48998 19.1038
207 3CH5 GDP 0.003102 0.45146 19.2308
208 1UO4 PIH 0.01662 0.46727 20.5882
209 4DN8 BMA 0.001722 0.49134 22.4359
210 3DZD ADP 0.004797 0.48614 24.1848
211 1T0S BML 0.01612 0.45385 25.5814
212 2IYG FMN 0.02229 0.4139 28.2258
213 1OFH ADP 0.00000000009689 0.41856 30
214 3GJ3 GDP 0.04627 0.441 30.303
215 2CE7 ADP 0.00000000000001821 0.92459 33.4034
Pocket No.: 2; Query (leader) PDB : 3HU3; Ligand: AGS; 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: 3hu3.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback