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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 253 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 209 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 173 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: 423
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 HEJ 0.84 0.945946
8 ATP 0.84 0.945946
9 AQP 0.828947 0.945946
10 5FA 0.828947 0.945946
11 AN2 0.813333 0.933333
12 ADP 0.8 0.945946
13 AT4 0.789474 0.986486
14 APR 0.782051 0.92
15 AR6 0.782051 0.92
16 M33 0.779221 0.907895
17 AD9 0.772152 0.921053
18 ACP 0.769231 0.921053
19 SRA 0.756757 0.972973
20 A22 0.75 0.933333
21 50T 0.746835 0.907895
22 AMP 0.743243 0.918919
23 A 0.743243 0.918919
24 ADX 0.734177 0.9
25 CA0 0.734177 0.896104
26 ADQ 0.732558 0.896104
27 ANP 0.731707 0.921053
28 ACQ 0.731707 0.921053
29 25L 0.730337 0.933333
30 6YZ 0.72619 0.921053
31 PRX 0.716049 0.848101
32 9X8 0.715909 0.947368
33 OAD 0.715909 0.896104
34 ATF 0.714286 0.909091
35 ABM 0.714286 0.87013
36 AP2 0.696203 0.909091
37 A12 0.696203 0.909091
38 A1R 0.693182 0.8625
39 A3R 0.693182 0.8625
40 TAT 0.690476 0.986486
41 T99 0.690476 0.986486
42 5AL 0.682353 0.883117
43 25A 0.681818 0.92
44 3OD 0.681319 0.896104
45 APC 0.674699 0.909091
46 AU1 0.670732 0.921053
47 SRP 0.666667 0.860759
48 G3A 0.65625 0.875
49 4AD 0.655556 0.873418
50 G5P 0.649485 0.875
51 AFH 0.649485 0.841463
52 00A 0.648352 0.839506
53 RBY 0.647059 0.884615
54 ADP PO3 0.647059 0.893333
55 ADV 0.647059 0.884615
56 BIS 0.645161 0.886076
57 5SV 0.644444 0.807229
58 8QN 0.644444 0.883117
59 OOB 0.644444 0.883117
60 GTA 0.642857 0.843373
61 PAJ 0.637363 0.841463
62 AMO 0.637363 0.884615
63 ITT 0.630952 0.893333
64 DLL 0.630435 0.883117
65 AHX 0.630435 0.851852
66 ADP VO4 0.629214 0.883117
67 VO4 ADP 0.629214 0.883117
68 NB8 0.62766 0.851852
69 UP5 0.623762 0.873418
70 3UK 0.623656 0.871795
71 SON 0.619048 0.884615
72 ALF ADP 0.617977 0.82716
73 ADP ALF 0.617977 0.82716
74 OMR 0.617647 0.811765
75 PR8 0.617021 0.809524
76 WAQ 0.617021 0.839506
77 B5V 0.617021 0.860759
78 LAD 0.617021 0.819277
79 DAL AMP 0.615385 0.858974
80 MAP 0.615385 0.897436
81 GAP 0.613636 0.848101
82 LMS 0.6125 0.853659
83 7D4 0.611765 0.858974
84 1ZZ 0.610526 0.8
85 FYA 0.610526 0.858974
86 ME8 0.610526 0.821429
87 TXA 0.610526 0.884615
88 PTJ 0.610526 0.851852
89 DQV 0.61 0.907895
90 ATR 0.609195 0.918919
91 PAP 0.609195 0.932432
92 NAI 0.607843 0.8625
93 NAX 0.607843 0.831325
94 6V0 0.607843 0.851852
95 ADP BMA 0.606383 0.871795
96 A4P 0.605769 0.804598
97 A2R 0.604396 0.933333
98 XYA 0.60274 0.8
99 RAB 0.60274 0.8
100 ADN 0.60274 0.8
101 48N 0.598039 0.851852
102 9SN 0.597938 0.829268
103 139 0.59434 0.831325
104 T5A 0.59434 0.802326
105 NXX 0.592233 0.884615
106 DND 0.592233 0.884615
107 TXD 0.592233 0.8625
108 B5M 0.591837 0.85
109 B5Y 0.591837 0.85
110 YAP 0.591837 0.85
111 FA5 0.591837 0.860759
112 9ZD 0.591398 0.8625
113 9ZA 0.591398 0.8625
114 TXE 0.586538 0.8625
115 XAH 0.585859 0.8
116 HFD 0.58427 0.897436
117 GA7 0.584158 0.860759
118 A A 0.583333 0.894737
119 AP0 0.580952 0.851852
120 4UV 0.58 0.85
121 2A5 0.579545 0.871795
122 AOC 0.578313 0.779221
123 COD 0.577982 0.795455
124 A3P 0.576471 0.918919
125 ATP A A A 0.575758 0.881579
126 CNA 0.574074 0.884615
127 LAQ 0.572816 0.865854
128 5AS 0.569767 0.804598
129 4UU 0.568627 0.85
130 YLP 0.567308 0.781609
131 4TC 0.566038 0.851852
132 UPA 0.566038 0.8625
133 YLB 0.566038 0.781609
134 5N5 0.565789 0.776316
135 ADJ 0.564815 0.811765
136 7D3 0.564706 0.858974
137 3AM 0.560976 0.88
138 5CD 0.558442 0.763158
139 A4D 0.558442 0.8
140 A2P 0.55814 0.905405
141 NA7 0.556701 0.909091
142 F2R 0.554545 0.823529
143 PPS 0.554348 0.9
144 G5A 0.549451 0.804598
145 GSP 0.547368 0.924051
146 4UW 0.54717 0.819277
147 JB6 0.545455 0.910256
148 3AT 0.543478 0.92
149 TYM 0.542056 0.860759
150 MYR AMP 0.54 0.77907
151 80F 0.539823 0.845238
152 AR6 AR6 0.538462 0.87013
153 EP4 0.5375 0.716049
154 YLC 0.537037 0.8
155 7D5 0.536585 0.833333
156 NAD 0.535714 0.883117
157 TYR AMP 0.533981 0.82716
158 DTA 0.530864 0.792208
159 M2T 0.530864 0.719512
160 3DH 0.53012 0.75641
161 2AM 0.53012 0.893333
162 AHZ 0.528302 0.821429
163 IOT 0.527273 0.793103
164 DTP 0.526882 0.858974
165 SSA 0.526316 0.825581
166 A3D 0.526316 0.871795
167 MTA 0.52439 0.75641
168 ARG AMP 0.52381 0.790698
169 YLA 0.522523 0.781609
170 BTX 0.522124 0.845238
171 6AD 0.521277 0.911392
172 AMP DBH 0.519231 0.848101
173 TAD 0.518868 0.8875
174 AYB 0.517857 0.772727
175 BT5 0.517544 0.835294
176 A5A 0.515789 0.833333
177 TSB 0.515464 0.845238
178 OVE 0.511628 0.933333
179 6RE 0.511628 0.722892
180 7DT 0.51087 0.932432
181 V3L 0.510638 0.92
182 AVV 0.510204 0.851852
183 7MD 0.509434 0.821429
184 LPA AMP 0.509259 0.843373
185 0WD 0.508772 0.875
186 NAE 0.508475 0.85
187 52H 0.505155 0.804598
188 VMS 0.505155 0.813953
189 54H 0.505155 0.813953
190 NSS 0.50505 0.825581
191 NAQ 0.504202 0.829268
192 EAD 0.504132 0.831325
193 FB0 0.504 0.769231
194 A3N 0.5 0.746835
195 ZID 0.5 0.871795
196 IMO 0.5 0.88
197 AF3 ADP 3PG 0.5 0.797619
198 M24 0.5 0.809524
199 NVA LMS 0.5 0.777778
200 NJP 0.5 0.897436
201 AV2 0.5 0.87013
202 53H 0.5 0.804598
203 J7C 0.5 0.731707
204 ARU 0.5 0.819277
205 ZAS 0.5 0.728395
206 8X1 0.5 0.777778
207 5CA 0.5 0.825581
208 RGT 0.5 0.909091
209 NPW 0.495575 0.843373
210 NDP 0.495575 0.875
211 LEU LMS 0.49505 0.777778
212 DDS 0.494737 0.833333
213 S4M 0.494382 0.655556
214 6FA 0.492188 0.802326
215 DZD 0.491379 0.841463
216 NZQ 0.491228 0.864198
217 P5A 0.490196 0.769231
218 DSZ 0.49 0.825581
219 LSS 0.49 0.786517
220 MAO 0.488889 0.724138
221 DSH 0.488636 0.710843
222 P1H 0.488 0.811765
223 N0B 0.487603 0.781609
224 YLY 0.487395 0.772727
225 ODP 0.486957 0.864198
226 8PZ 0.485714 0.825581
227 9K8 0.485437 0.758242
228 SFD 0.484615 0.776596
229 FAS 0.484615 0.811765
230 FAD 0.484615 0.811765
231 FDA 0.484375 0.795455
232 DAT 0.483871 0.858974
233 5X8 0.483871 0.746835
234 NAJ PZO 0.483051 0.807229
235 G A A A 0.482759 0.829268
236 7MC 0.482143 0.802326
237 62F 0.481203 0.821429
238 PO4 PO4 A A A A PO4 0.480392 0.855263
239 7DD 0.478261 0.932432
240 TXP 0.478261 0.875
241 GJV 0.477778 0.714286
242 NDE 0.47619 0.884615
243 GSU 0.475728 0.804598
244 KAA 0.475728 0.777778
245 5AD 0.474359 0.706667
246 A3G 0.47191 0.759494
247 U A 0.470588 0.8625
248 4TA 0.470085 0.770115
249 XNP 0.470085 0.831325
250 AMP NAD 0.470085 0.858974
251 A G 0.470085 0.839506
252 GP3 0.46875 0.875
253 NDC 0.46875 0.829268
254 6C6 0.46875 0.8375
255 7D7 0.468354 0.705128
256 SFG 0.468085 0.7125
257 YSA 0.46729 0.804598
258 NAJ PYZ 0.467213 0.770115
259 FAY 0.466667 0.821429
260 ETB 0.466667 0.795455
261 DCA 0.466667 0.786517
262 U A G G 0.466102 0.839506
263 A A A 0.466019 0.858974
264 128 0.464286 0.741573
265 RFL 0.463235 0.784091
266 PUA 0.46281 0.841463
267 A7D 0.462366 0.759494
268 FNK 0.459259 0.769231
269 0T1 0.459016 0.786517
270 COA 0.459016 0.806818
271 7C5 0.458716 0.777778
272 A5D 0.458333 0.792208
273 SA8 0.458333 0.674419
274 MHZ 0.457447 0.666667
275 71V 0.456522 0.910256
276 8Q2 0.45614 0.797753
277 NEC 0.455556 0.708861
278 GGZ 0.455446 0.851852
279 SAH 0.453608 0.728395
280 SAI 0.453608 0.698795
281 Y3J 0.451219 0.688312
282 GEK 0.45098 0.722892
283 AS 0.450549 0.884615
284 4YB 0.45045 0.786517
285 GTP 0.45 0.873418
286 SMM 0.45 0.674157
287 6IA 0.44898 0.797619
288 SAM 0.44898 0.678161
289 CAO 0.448 0.8
290 30N 0.448 0.776596
291 COS 0.448 0.808989
292 TAP 0.448 0.935065
293 AMX 0.448 0.795455
294 EEM 0.444444 0.659091
295 CMX 0.444444 0.786517
296 SCO 0.444444 0.786517
297 AAT 0.444444 0.714286
298 P5F 0.443662 0.786517
299 PGS 0.442105 0.910256
300 FCX 0.440945 0.76087
301 ACO 0.440945 0.8
302 FAM 0.440945 0.769231
303 HDV 0.44 0.848101
304 2SA 0.44 0.884615
305 NAP 0.44 0.896104
306 9JJ 0.439716 0.821429
307 APU 0.439655 0.85
308 A U 0.439655 0.82716
309 DA 0.43956 0.833333
310 D5M 0.43956 0.833333
311 HAX 0.4375 0.769231
312 Z5A 0.436508 0.744444
313 DG1 0.436508 0.875
314 1DG 0.436508 0.875
315 V1N 0.436364 0.87013
316 S7M 0.435644 0.678161
317 2MC 0.435115 0.774194
318 649 0.434783 0.769231
319 AAM 0.434783 0.918919
320 WSA 0.434783 0.813953
321 FYN 0.434109 0.806818
322 3KK 0.434109 0.808989
323 NMN AMP PO4 0.433333 0.82716
324 7L1 0.433071 0.8
325 NA0 0.433071 0.884615
326 C2R 0.431818 0.857143
327 AMZ 0.431818 0.868421
328 A3S 0.431579 0.769231
329 MCD 0.430769 0.769231
330 SOP 0.430769 0.788889
331 CA6 0.430769 0.752577
332 COK 0.430769 0.808989
333 OXK 0.430769 0.808989
334 GNH 0.43 0.8625
335 N6P 0.428571 0.866667
336 62X 0.428571 0.637363
337 NVA 2AD 0.428571 0.722892
338 101 0.428571 0.833333
339 F2N 0.427586 0.777778
340 CO6 0.427481 0.808989
341 1VU 0.427481 0.8
342 CMC 0.427481 0.788889
343 NMX 0.427481 0.729167
344 GKE 0.427273 0.841463
345 GDD 0.427273 0.841463
346 GDC 0.427273 0.841463
347 SCA 0.425373 0.808989
348 FA9 0.424658 0.823529
349 K15 0.424528 0.651685
350 A6D 0.424528 0.729412
351 CAJ 0.424242 0.769231
352 SCD 0.424242 0.786517
353 AIR 0.423529 0.853333
354 6K6 0.423077 0.881579
355 A3T 0.42268 0.779221
356 NIA 0.422222 0.783133
357 NHD 0.421488 0.858974
358 MLC 0.421053 0.808989
359 1HE 0.421053 0.791209
360 BCO 0.421053 0.808989
361 IVC 0.421053 0.818182
362 12D 0.421053 0.75
363 3HC 0.421053 0.818182
364 A1S 0.421053 0.788889
365 1CZ 0.42029 0.820225
366 GDP 0.42 0.873418
367 0UM 0.419048 0.666667
368 YE1 0.41791 0.777778
369 COO 0.41791 0.808989
370 MCA 0.41791 0.8
371 CAA 0.41791 0.818182
372 GCP 0.417476 0.851852
373 G1R 0.417476 0.8625
374 SXZ 0.416667 0.697674
375 2CP 0.414815 0.78022
376 MC4 0.414815 0.765957
377 ZDA 0.414141 0.820513
378 KB1 0.412844 0.666667
379 2KQ 0.411765 0.791209
380 BYC 0.411765 0.808989
381 IRC 0.411765 0.818182
382 MGP 0.411765 0.841463
383 CA8 0.411765 0.770833
384 HGG 0.411765 0.808989
385 1GZ 0.411765 0.8
386 3CP 0.411765 0.788889
387 3AD 0.411765 0.763158
388 COW 0.411765 0.8
389 COF 0.411765 0.771739
390 A C A C 0.41129 0.807229
391 N01 0.41129 0.858974
392 S8M 0.409524 0.743902
393 FAQ 0.408759 0.808989
394 BCA 0.408759 0.8
395 4CA 0.408759 0.78022
396 7RP 0.408602 0.878378
397 2VA 0.408163 0.759494
398 6G0 0.407767 0.841463
399 CO7 0.407407 0.808989
400 26A 0.406977 0.725
401 QQX 0.406593 0.857143
402 HXC 0.405797 0.791209
403 GRA 0.405797 0.808989
404 FAI 0.404255 0.868421
405 7RA 0.404255 0.906667
406 GPG 0.40367 0.864198
407 TGC 0.402878 0.8
408 ACK 0.402174 0.815789
409 RP1 0.402174 0.894737
410 QQY 0.402174 0.844156
411 SP1 0.402174 0.894737
412 S0N 0.4 0.769231
413 CIC 0.4 0.788889
414 EO7 0.4 0.813953
415 CO8 0.4 0.791209
416 U A C C 0.4 0.817073
417 SLU 0.4 0.816092
418 APC G U 0.4 0.795181
419 8BR 0.4 0.860759
420 GNP 0.4 0.851852
421 TM1 0.4 0.738636
422 9GM 0.4 0.851852
423 2NE 0.4 0.791209
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HU3; Ligand: AGS; Similar sites found with APoc: 469
This union binding pocket(no: 1) in the query (biounit: 3hu3.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 4LHW GNP None
2 6C90 ADP 1.02249
3 1G7S GDP 1.22699
4 2FAH GDP 1.43149
5 1YRB GDP 1.52672
6 2J5V PCA 1.63488
7 4IEE AGS 1.63599
8 1DAR GDP 1.63599
9 2XAU ADP 1.63599
10 5GOE GDP 1.65877
11 1V8K ANP 1.70732
12 2WHX ADP 1.84049
13 5LTJ BEF 1.84049
14 5LTJ ADP 1.84049
15 4PFO ADP 1.84049
16 2ZFI ADP 1.91257
17 3P4X ADP 1.93705
18 3FVQ ATP 1.94986
19 2RCN GDP 1.95531
20 1GOJ ADP 1.97183
21 2JLR ANP 1.99557
22 1T5C ADP 2.00573
23 5W75 GDP 2.04082
24 4YJ1 ADP 2.04499
25 4YS0 ADP 2.04499
26 2ZX2 RAM 2.05128
27 1SKQ GDP 2.06897
28 4FRZ ADP 2.07254
29 4Z7X 3CX 2.10084
30 3TK1 GDP 2.12121
31 1BG2 ADP 2.15385
32 1YZN GNP 2.16216
33 3COB ADP 2.16802
34 4ZNL BEF ADP 2.18978
35 5UIV ADP 2.20264
36 5XDR ADP 2.24949
37 1F9V ADP 2.30548
38 2XT3 ADP 2.32558
39 3DC4 ADP 2.32558
40 2O0J ADP 2.33766
41 2NCD ADP 2.38095
42 5ZXD ATP 2.45399
43 5IRN ADP 2.45399
44 6FAA ADP 2.45399
45 4ZG4 VO4 ADP 2.45399
46 5H4S RAM 2.46479
47 5LB3 ADP 2.47191
48 6B4K ANP 2.55814
49 2ORV 4TA 2.5641
50 1W4R TTP 2.5641
51 1SQ5 ADP 2.5974
52 2GZM DGL 2.62172
53 2GK6 ADP 2.65849
54 1Z6T ADP 2.65849
55 1IHU AF3 2.65849
56 1IHU ADP 2.65849
57 2ZJ5 ADP 2.65849
58 3RWO GDP 2.7027
59 2ZEJ GDP 2.71739
60 1FP6 ADP 2.76817
61 5M04 GDP 2.77778
62 4TTQ ATP 2.7907
63 5Z21 OXM 2.7933
64 1R0X ATP 2.7972
65 6B8B ADP 2.81124
66 2VVG ADP 2.85714
67 3QBT GNP 2.85714
68 2IS6 ADP 2.86299
69 2OFW ADX 2.88462
70 1Z0K GTP 2.90698
71 4R98 GNH 2.95203
72 1MKY GDP 2.96128
73 5Y6N ADP 2.96804
74 4H1V GNP 2.98103
75 2EW1 GNP 2.98507
76 5GVR LMR 2.99145
77 2WIC GNP 2.99625
78 3TKL GTP 3.06122
79 2OG2 MLI 3.06407
80 5HCN GCP 3.06513
81 5TSH ANP 3.06748
82 5TSH ADP 3.06748
83 2GKS ADP 3.06748
84 5VHC BEF ADP 3.06748
85 4NON GDP 3.07692
86 1NY5 ADP 3.10078
87 2WOJ ADP ALF 3.10734
88 2AWN ADP 3.14961
89 5CK5 GDP 3.16456
90 2X77 GDP 3.1746
91 1UJ2 C5P 3.1746
92 1UJ2 ADP 3.1746
93 5Z69 AGS 3.22581
94 4J0Q GDP 3.23326
95 3KC1 2T6 3.2641
96 6AIC AMP 3.27103
97 3TBK ANP 3.27198
98 1WDT GTP 3.27198
99 1YTM ATP 3.27198
100 5OEC GDP 3.27869
101 1ION ADP 3.29218
102 3BFV ADP 3.32103
103 2PEZ DAT 3.35196
104 2Z5F A3P 3.3557
105 3EWA ANP 3.41615
106 1KO8 6PG 3.42857
107 3NKV GNP 3.42857
108 6A20 ADP 3.43249
109 2FSH ANP 3.47648
110 4IOK XPO 3.47648
111 3MBI HSX 3.48432
112 5J1J ANP 3.50877
113 3IUY AMP 3.50877
114 1F6B GDP 3.53535
115 2HF9 GSP 3.53982
116 5IRR GSP 3.57143
117 4KVA GTP 3.64078
118 3B9Q MLI 3.64238
119 1Y3A GDP 3.64742
120 1KK1 GNP 3.65854
121 4A4Z ANP 3.68098
122 3WYA GDP 3.68664
123 2OZE AGS 3.69128
124 2OM2 GDP 3.69231
125 4OHY ANP 3.7123
126 3FYH ADP 3.72671
127 3SBD GNP 3.74332
128 1G3Q ADP 3.79747
129 3U6B GDP 3.80711
130 5JBQ GDP 3.80711
131 4G5G GDP 3.80711
132 3U6K GDP 3.80711
133 4PC3 GDP 3.80711
134 1B0U ATP 3.81679
135 1D8T GDP 3.81679
136 3DEF GDP 3.81679
137 2BVN GNP 3.81679
138 5FG3 GDP 3.88548
139 5W76 GDP 3.8961
140 1Z0F GDP 3.91061
141 5L3W GDP 3.92157
142 3LRE ADP 3.94366
143 3E70 GDP 3.96341
144 2ZTS ADP 3.98406
145 5TCI MLI 3.98551
146 3UIE ANP 4
147 5ZBR ANP 4
148 3SFV GDP 4.06977
149 3DKP ADP 4.08163
150 5X40 ACP 4.10959
151 4LJ9 ACP 4.12979
152 3Q85 GNP 4.14201
153 1VKJ A3P 4.21053
154 2WKQ GTP 4.21687
155 2I6U CP 4.23453
156 1SVM ATP 4.24403
157 3NHB ADP 4.24837
158 1G6H ADP 4.28016
159 1D2E GDP 4.28212
160 1XKV ATP 4.29448
161 6CS8 F9Y 4.29448
162 5EP2 AZU 4.29688
163 3RLF ANP 4.39189
164 2C77 GNP 4.44444
165 2C78 GNP 4.44444
166 4P4T GDP 4.44444
167 3FWY ADP 4.4586
168 5KSZ GCP 4.48113
169 4FCW ADP 4.50161
170 1FGX U5P 4.51389
171 1OXV ANP 4.53258
172 3T1O GDP 4.54545
173 5W7Q GDP 4.55764
174 3VMF GTP 4.55764
175 5O74 GDP 4.56853
176 1ZC3 GNP 4.57143
177 1UAD GNP 4.57143
178 4RD0 GDP 4.57831
179 4DCT GDP 4.60526
180 5EXT ADP 4.61538
181 4PJ3 ANP 4.70348
182 1OYY AGS 4.70348
183 1YVD GNP 4.73373
184 5JIB OIA 4.74777
185 1Z06 GNP 4.7619
186 1U8Z GDP 4.7619
187 4PX9 ADP 4.79452
188 1KSH GDP 4.83871
189 5H7J GCP 4.90798
190 4IHQ ADP 4.90798
191 4DDY DN6 4.94297
192 4P3Y GDP 4.94506
193 3GJ4 GDP 4.97738
194 3GJ5 GDP 4.97738
195 3GJ8 GDP 4.97738
196 3A4M ADP 5
197 5H68 AGS 5
198 4U5X GNP 5.05618
199 4V03 ADP 5.05837
200 1HTW ADP 5.06329
201 3TMK T5A 5.09259
202 2ZPA ADP 5.11247
203 4TL6 ANP 5.13834
204 4DID GDP 5.18135
205 1XP8 AGS 5.19126
206 2CJW GDP 5.20833
207 3BER AMP 5.22088
208 4ITR GDP 5.2356
209 4QRH 0O2 5.2381
210 5JCP GDP ALF 5.2506
211 4QM7 GTP 5.26316
212 2WMO GTP 5.26316
213 5H7K GDP 5.28967
214 5KUT GDP 5.29101
215 1PUJ GNP 5.31915
216 1I4D GDP 5.35714
217 4B47 GDP 5.50964
218 4WZ6 ATP 5.51724
219 3RC3 ANP 5.52147
220 1Q19 SSC 5.52147
221 4YC7 GNP 5.52486
222 1NST A3P 5.53846
223 1H65 GDP 5.55556
224 4JLV ADP 5.57621
225 1NJF ADP 5.6
226 1NJF AGS 5.6
227 2D7D ADP 5.72597
228 4R43 GDP 5.72597
229 2HT6 GDP 5.74713
230 5G3Y ADP 5.75221
231 1JJ7 ADP 5.76923
232 1B7T ADP 5.76923
233 5FHD ADP ALF 5.77367
234 5FTB ANP 5.77367
235 3KTA AP5 5.78035
236 4LPS GDP 5.78512
237 1TQ4 GDP 5.81114
238 3WXM GTP 5.85106
239 3QKT ANP 5.8997
240 4NCN GTP 5.9081
241 1E96 GTP 5.91133
242 1L2T ATP 5.95745
243 3AQ4 GDP 5.97826
244 4XTR ADP 5.99078
245 4XTR ATP 5.99078
246 4XVU ATP 5.99078
247 2KIN ADP 6
248 4DKX GDP 6.01852
249 5N69 ADP 6.03015
250 2F9L GDP 6.03015
251 3DOE GTP 6.06061
252 5HR5 ADP 6.13497
253 4U00 ADP 6.14754
254 3PQC GDP 6.15385
255 2B8T THM 6.27803
256 1OIV GDP 6.28272
257 1OIX GDP 6.28272
258 1NRJ GTP 6.42202
259 1KK8 BEF ADP 6.47482
260 2FH5 GTP 6.48649
261 3A1S GDP 6.58915
262 1GXU 2HP 6.59341
263 5L3V GDP 6.68896
264 5JCZ GDP 6.70391
265 5L3S GNP 6.71141
266 2A9K GDP 6.72646
267 5I0H ADP BEF 6.74847
268 4ZDJ UTP 6.74847
269 2CBZ ATP 6.75105
270 2XTZ GSP 6.77966
271 2F62 12M 6.8323
272 2F67 12B 6.8323
273 2F2T 5IQ 6.8323
274 4GOJ GNP 6.87831
275 3IO3 ADP 6.89655
276 1ZD9 GDP 6.91489
277 5VGR GDP 6.96056
278 5XKT GNP 7
279 3EZ2 ADP 7.03518
280 6CRK GDP 7.04225
281 1G16 GDP 7.05882
282 2DPY ADP 7.07763
283 1NXJ TLA 7.10383
284 2PL3 ADP 7.15746
285 4LYA ATP 7.15746
286 1FZQ GDP 7.18232
287 1KAO GDP 7.18563
288 3Q72 GNP 7.22892
289 2C9O ADP 7.23684
290 2DWU DGL 7.24638
291 3Q9L ATP 7.30769
292 5MZN ADP 7.36196
293 1G8S MET 7.3913
294 1D5C GDP 7.40741
295 2O66 FLC 7.40741
296 3AB3 GDP 7.45856
297 1ZCB GDP 7.45856
298 1U0J ADP 7.49064
299 1W5T ANP 7.52427
300 1W5T ADP 7.52427
301 1Z2A GDP 7.7381
302 2BEK ATP 7.7821
303 4RZ3 ADP 7.79661
304 1YZG GDP 7.82123
305 4TMZ GSP 7.82609
306 4WEI GLC GAL 7.94224
307 4BQS ADP 7.95455
308 2GCO GNP 7.9602
309 2GCN GDP 7.9602
310 5L3R GCP 7.97342
311 1ZJ6 G3D 8.02139
312 4BAS GNP 8.0402
313 5U32 GDP 8.05085
314 2OBM ADP 8.06916
315 3H4S ADP 8.14815
316 1UPT GTP 8.18713
317 1VG0 GDP 8.21256
318 3FKQ ATP 8.31099
319 3W5J GDP 8.33333
320 2W58 ADP 8.41584
321 2CDN ADP 8.45771
322 4KVG GTP 8.46154
323 4HSE ADP 8.56423
324 1LVG ADP 8.58586
325 1RRC ADP 8.63787
326 3B5J 12D 8.64198
327 5MVR ADP 8.64198
328 1VHT BA3 8.7156
329 1FNN ADP 8.74036
330 3CNL GNP 8.77863
331 2BCG GDP 8.83002
332 3CPJ GDP 8.86918
333 5K5Z ANP 8.9172
334 5UQW GDP 8.99471
335 5H67 ATP 9.04255
336 1VG1 GDP 9.18919
337 1VG9 GDP 9.18919
338 5TB5 GDP 9.18919
339 5TAR GDP 9.18919
340 1G4U GDP 9.23913
341 3BP1 GUN 9.31034
342 1MR3 G3D 9.39227
343 1F2U ATP 9.39597
344 3IIJ ADP 9.44444
345 5KSP GDP 9.47368
346 2FNA ADP 9.52381
347 4YMU ATP 9.54545
348 5ZB0 TYD 9.59596
349 5ZB0 ADP 9.59596
350 1O3Y GTP 9.63855
351 2J59 GTP 9.63855
352 2QN6 GDP 9.67742
353 2BME GNP 9.67742
354 1RE0 GDP 9.7561
355 1S9D GDP 9.7561
356 1RYH GNP 9.85222
357 3ZFD ANP 9.97151
358 5E95 GDP 10.119
359 1S8F GDP 10.1695
360 3BC1 GNP 10.1695
361 1JJV ATP 10.1942
362 3GJ7 GDP 10.2041
363 5E5U MLI 10.2273
364 3KUD GDP 10.241
365 2UZI GTP 10.241
366 3T12 GDP ALF 10.2941
367 1Z0A GDP 10.3448
368 1XX6 ADP 10.4712
369 1K6M AGS 10.6481
370 1JI0 ATP 10.8333
371 1IN4 ADP 11.0778
372 5EE5 GTP 11.1111
373 1EK0 GNP 11.1765
374 2FJU GSP 11.236
375 1HE1 GDP 11.3636
376 1G41 ADP 11.4865
377 1R4A GNP 11.5152
378 4D0G GTP 11.5942
379 3T5G GDP 11.6022
380 2EFE GNH 11.6022
381 1T9D P22 11.6564
382 6BSX GDP 11.7978
383 5Z20 OXM 11.8841
384 4D0N GDP 11.8919
385 5HPY GDP 11.8919
386 6BCA GSP 11.8919
387 1Y63 ADP 11.9565
388 4CVN ADP 12.0419
389 2A5J GDP 12.0419
390 5DI3 GNP 12.1673
391 5J1S ATP 12.1951
392 1GWN GTP 12.1951
393 1DS6 GDP 12.2222
394 4XOI GTP 12.2222
395 1TU3 GNP 12.2807
396 4XSH GSP 12.2905
397 5BN3 ADP 12.5
398 1CR1 TTP 12.5
399 3KJI ADP 12.5984
400 4E03 ADP 12.6214
401 2IYL GDP 12.6761
402 2WJG GDP 12.766
403 1G7C 5GP 12.766
404 2W2X GSP 12.9032
405 2PZE ATP 13.1004
406 2A5F GTP 13.1429
407 3ZS9 ADP ALF 13.1579
408 1W7J ADP BEF 13.245
409 1M7G AV2 13.2701
410 1J2J GTP 13.3333
411 5KDO GDP 13.5135
412 1M7B GTP 13.587
413 4KAX GTP 13.6095
414 2W83 GTP 13.9394
415 3QF7 ANP 14
416 4M9Q GNP 14.0969
417 2J0V GDP 14.1509
418 3N5C GDP 14.1975
419 3PCR GTP 14.1975
420 1FQJ GDP 14.2857
421 4YLG GDP 14.4509
422 2WJH GDP 14.4578
423 2WJH FLC 14.4578
424 5M7P ADP 14.5374
425 4HI0 GDP 14.5729
426 2VB6 ADP BEF 14.7651
427 2VOH CIT 15.2866
428 1KY3 GDP 15.3846
429 1XEX ATP 15.6977
430 1XMV ADP 16.0112
431 1D2N ANP 16.1765
432 1M2O GNP 16.3158
433 2CHG ANP 16.3717
434 4ZI2 GNP 16.5414
435 4C4P GNP 16.8224
436 3ZQ6 ADP ALF 16.9753
437 5WC2 ADP 17.5926
438 2V7Q ADP 17.6471
439 2V7Q ATP 17.6471
440 1W0J ADP 17.6471
441 2CK3 ANP 17.6471
442 1W0J ADP BEF 17.6471
443 2CK3 ADP 17.6471
444 5BQ5 ADP BEF 17.9894
445 6BC0 GSP 18
446 3BOS CDP 18.1818
447 3B7G ANP 18.2609
448 4PPF FLC 18.8571
449 2ZR9 DTP 18.9112
450 4XGU ADP 19.1038
451 3CH5 GDP 19.2308
452 3LXR GDP 19.2708
453 4V0K GDP 20.7101
454 4QOS ADP 20.7547
455 4YDS ATP 21.0526
456 4R2I ANP 21.4286
457 4OI4 ATP 21.7391
458 6BCB GSP 22.6027
459 3DZD ADP 24.1848
460 2Y65 ADP 25
461 3WY9 GDP 25
462 2QTV GNP 26.5306
463 2HCJ GDP 27.027
464 1OFH ADP 30
465 3ZIA ATP 30.1587
466 3ZIA ADP 30.1587
467 3GJ3 GDP 30.303
468 5YT0 GDP 33.3333
469 2CE7 ADP 33.4034
Pocket No.: 2; Query (leader) PDB : 3HU3; Ligand: AGS; Similar sites found with APoc: 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 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3HU3; Ligand: AGS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3hu3.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3HU3; Ligand: AGS; Similar sites found with APoc: 137
This union binding pocket(no: 4) in the query (biounit: 3hu3.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 1E2K TMC 1.81269
2 1LVK MNT BEF 1.84049
3 1ZIN AP5 1.84332
4 1X6V ADP 2.04499
5 4Q1A UDP 2.14286
6 4Q1A 2XZ 2.14286
7 2Q2Y ADP 2.17984
8 2Q2Y MKR 2.17984
9 1ZUW DGL 2.20588
10 3VEH 0GA 2.21729
11 1F5N GNP 2.24949
12 1S3G AP5 2.30415
13 3L6C MLI 2.35988
14 2F5X ASP 2.65849
15 4NE2 SH2 2.69461
16 4NE2 ADP 2.69461
17 4WZA ACP 2.89855
18 4WZA ADP 2.89855
19 1Z08 GNP 2.94118
20 3B6C SDN 2.99145
21 1P72 ADP 2.99401
22 4IDN GNP 3.06346
23 5AK0 8V1 3.27198
24 2PEZ GGZ 3.35196
25 1SVK ALF GDP 3.39943
26 1UKZ ADP 3.44828
27 4IOK ADP 3.47648
28 3ITJ CIT 3.5503
29 5G41 AP5 3.58744
30 3R7F CP 3.61842
31 1BH2 GSP 3.80952
32 1OS1 PYR 3.88548
33 1OS1 ATP 3.88548
34 4B5W PYR 3.90625
35 1X1R GDP 3.93258
36 4ZKD GDP 4.00802
37 2QG6 NMN 4.0201
38 2EG5 SAH 4.03226
39 3QVV A3P 4.0678
40 1AKY AP5 4.09091
41 1FDJ 13P 4.40771
42 4WOP CTP 4.44444
43 1QF9 C5P 4.63918
44 1QF9 ALF 4.63918
45 1QF9 ADP 4.63918
46 1NN5 2DT 4.65116
47 1NN5 ANP 4.65116
48 2ZPT A3P 4.74576
49 4HDO GNP 4.79042
50 3X1Z GNP 4.79042
51 3QDK QDK 4.90798
52 1DAK DPU 4.91071
53 1DAK ADP 4.91071
54 4NU0 AP5 5.06912
55 3KB6 LAC 5.08982
56 3GJX GTP 5.09259
57 2BIF SIN 5.11727
58 2BIF ANP 5.11727
59 5SZH GNP 5.41872
60 1CS4 GSP 5.66038
61 4OKD GLC GLC GLC 5.72597
62 2FFQ GSP 5.84795
63 1YZQ GNP 5.88235
64 4JLS 3ZE 5.92105
65 4X8O AP5 6.07477
66 1GUA GNP 6.17284
67 1WA5 GTP 6.25
68 3WYG GTP 6.33947
69 1G3M A3P 6.46258
70 1G3M PCQ 6.46258
71 6AU6 GDP 6.6313
72 5L3S G 6.71141
73 4LX0 BEF GDP 6.77966
74 5UPK GNP 7.22543
75 2Y8E GNP 7.26257
76 4MKG AP5 7.37327
77 4MKF AP5 7.37327
78 2QQ0 ANP 7.6087
79 2QQ0 TMP 7.6087
80 2QQ0 ADP 7.6087
81 2QQ0 THM 7.6087
82 3MMH SME 7.78443
83 2ODE ALF GDP 7.80142
84 4BQS K2Q 7.95455
85 3CX8 GSP 7.98817
86 1FWV SGA MAG FUC 8.20895
87 1VG8 GNP 8.21256
88 3TNF GNP 8.58896
89 4GOX A3P 8.6262
90 5OCG GNP 8.99471
91 1MH1 GNP 9.13978
92 3FB4 AP5 9.25926
93 2C5L GTP 9.82659
94 4K81 GTP 9.94152
95 1CLU DBG 10.241
96 3DDC GNP 10.241
97 1HE1 AF3 11.3636
98 3M1I GTP 11.4155
99 3WYF GTP 11.4155
100 3H86 AP5 11.4583
101 4HDQ GNP 11.5385
102 3QXC ATP 11.5702
103 5WDR GNP 11.6959
104 6BSX E7S 11.7978
105 1RJ9 GCP 11.8421
106 5UWQ GNP 11.8881
107 5UWT GNP 11.8881
108 5UWR GNP 11.8881
109 5UWH GNP 11.8881
110 5UWI GNP 11.8881
111 5UWW GNP 11.8881
112 5UWU GNP 11.8881
113 5DIF GNP 11.8881
114 5DHF GNP 11.8881
115 6CIT GNP 11.8881
116 5UWO GNP 11.8881
117 5DI9 GNP 11.8881
118 5UWP GNP 11.8881
119 5UWS GNP 11.8881
120 3IP8 B85 12.0968
121 4HAT GNP 12.1429
122 1R2Q GNP 12.3529
123 1M7G ADX 13.2701
124 1M7G ADP 13.2701
125 5LEF GTP 13.6364
126 1ONI BEZ 13.7681
127 1XPJ TLA 14.2857
128 3MJH GTP 14.7059
129 2YOH WMJ 15.7143
130 5Z2M GTP 15.942
131 1ZUI SKM 16.0714
132 4UXH T5A 17.3913
133 1Z83 AP5 17.8571
134 2RGX AP5 18.932
135 1Z0J GTP 20.339
136 5O2T GSP 34.2246
137 5UWJ GNP 40
Pocket No.: 5; Query (leader) PDB : 3HU3; Ligand: AGS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3hu3.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3HU3; Ligand: AGS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3hu3.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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