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Receptor
PDB id Resolution Class Description Source Keywords
5H68 1.98 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AN ENGAGED DIMER OF THE GEOBACILLUS STEAROTHERMOPHILUS SMC HEAD DOMAIN GEOBACILLUS STEAROTHERMOPHILUS 10 SMC PROTEIN DNA BINDING PROTEIN CELL CYCLE
Ref.: OVERALL SHAPES OF THE SMC-SCPAB COMPLEX ARE DETERMI BALANCE BETWEEN CONSTRAINT AND RELAXATION OF ITS ST PARTS STRUCTURE V. 25 603 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:702;
B:702;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
AGS B:701;
A:701;
Valid;
Valid;
none;
none;
submit data
523.247 C10 H16 N5 O12 P3 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5H68 1.98 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AN ENGAGED DIMER OF THE GEOBACILLUS STEAROTHERMOPHILUS SMC HEAD DOMAIN GEOBACILLUS STEAROTHERMOPHILUS 10 SMC PROTEIN DNA BINDING PROTEIN CELL CYCLE
Ref.: OVERALL SHAPES OF THE SMC-SCPAB COMPLEX ARE DETERMI BALANCE BETWEEN CONSTRAINT AND RELAXATION OF ITS ST PARTS STRUCTURE V. 25 603 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5H68 - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5H68 - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5H68 - AGS C10 H16 N5 O12 P3 S 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 : 5H68; Ligand: AGS; Similar sites found with APoc: 548
This union binding pocket(no: 1) in the query (biounit: 5h68.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 2WJH GDP None
2 2WJH FLC None
3 4A6F SEP None
4 2F9W PAU 0.738007
5 1JJV ATP 1.45631
6 1NST A3P 1.53846
7 1TL2 NDG 1.69492
8 1F9V ADP 1.76471
9 4AG5 ADP 1.76471
10 3DZD ADP 1.76471
11 4CFT H4B 1.76471
12 4CU1 H4B 1.76471
13 2WIC GNP 1.87266
14 5XSJ XYP 1.96078
15 1GOJ ADP 2.05882
16 5M04 GDP 2.05882
17 4B47 GDP 2.05882
18 2JLR ANP 2.05882
19 1W5T ADP 2.05882
20 1W5T ANP 2.05882
21 4L80 OXL 2.05882
22 2BO4 FLC 2.05882
23 1RJW ETF 2.0649
24 3KC1 2T6 2.07715
25 2V5K OXM 2.09059
26 2PZ8 APC 2.11268
27 5NUL FMN 2.17391
28 3BFV ADP 2.21402
29 4GOX A3P 2.23642
30 2F5X ASP 2.24359
31 6A4R ASP 2.26415
32 1VHT BA3 2.29358
33 1RRC ADP 2.32558
34 5EP2 AZU 2.34375
35 2VVG ADP 2.35294
36 4R43 GDP 2.35294
37 6B4K ANP 2.35294
38 1NJF ADP 2.4
39 1NJF AGS 2.4
40 4FGC PQ0 2.42424
41 3W5J GDP 2.45098
42 4LPS GDP 2.47934
43 2CJW GDP 2.60417
44 3MD0 GDP 2.64706
45 2RCN GDP 2.64706
46 1D8T GDP 2.64706
47 4KBF AMP 2.64706
48 2XAU ADP 2.64706
49 5KSZ GCP 2.64706
50 2BVN GNP 2.64706
51 4NCN GTP 2.64706
52 5ZXD ATP 2.64706
53 4LJ9 ACP 2.65487
54 4L9Z OXL 2.65487
55 4HE2 AMP 2.66272
56 5EXT ADP 2.69231
57 1IN4 ADP 2.69461
58 3A1S GDP 2.71318
59 2RC8 DSN 2.72109
60 3TK1 GDP 2.72727
61 4TL6 ANP 2.7668
62 1BG2 ADP 2.76923
63 1L7N AF3 2.8436
64 2HT6 GDP 2.87356
65 3BOS CDP 2.89256
66 1VG8 GNP 2.89855
67 2XT3 ADP 2.94118
68 1XMV ADP 2.94118
69 1D2E GDP 2.94118
70 2ZPA ADP 2.94118
71 4U8P UDP 2.94118
72 2J5V PCA 2.94118
73 1OXV ANP 2.94118
74 2J0W ASP 2.94118
75 1SVK ALF GDP 2.94118
76 1SVM ATP 2.94118
77 1IZC PYR 2.94985
78 2OM2 GDP 3.07692
79 4PX9 ADP 3.08219
80 2HF9 GSP 3.09735
81 2BEK ATP 3.11284
82 2IYL GDP 3.16901
83 5H4S RAM 3.16901
84 1BH2 GSP 3.1746
85 4Q1A 2XZ 3.21429
86 4Q1A UDP 3.21429
87 2Y65 ADP 3.23529
88 2WHX ADP 3.23529
89 1G41 ADP 3.23529
90 5FG3 GDP 3.23529
91 3P4X ADP 3.23529
92 1MKY GDP 3.23529
93 5HR5 ADP 3.23529
94 6DEF GCP 3.23529
95 2WOJ ADP ALF 3.23529
96 1Q8A HCS 3.23529
97 4ZG4 VO4 ADP 3.23529
98 2XTZ GSP 3.23529
99 3RWO GDP 3.24324
100 5L3W GDP 3.26797
101 6AR9 3L4 3.30882
102 1Z0F GDP 3.35196
103 5HCN GCP 3.44828
104 4WZ6 ATP 3.44828
105 5CK5 GDP 3.48101
106 1T5C ADP 3.52941
107 1NY5 ADP 3.52941
108 1G7S GDP 3.52941
109 4YS0 ADP 3.52941
110 1G16 GDP 3.52941
111 3EC1 GDP 3.52941
112 1F5N GNP 3.52941
113 1OYY AGS 3.52941
114 1K6M AGS 3.52941
115 1R6B ADP 3.52941
116 4C4P GNP 3.52941
117 1Z08 GNP 3.52941
118 4D81 ADP 3.53357
119 2X7I CIT 3.57143
120 2D7C GTP 3.59281
121 3R7F CP 3.61842
122 1G6O ADP 3.63636
123 1DS6 GDP 3.64583
124 1WF3 GNP 3.65448
125 2A5J GDP 3.66492
126 1A4R GNH 3.66492
127 4ITR GDP 3.66492
128 1A4R GDP 3.66492
129 2VWT PYR 3.74532
130 4KFU ACP 3.77358
131 1VG1 GDP 3.78378
132 4R2I ANP 3.80952
133 4QRH 0O2 3.80952
134 1V8K ANP 3.82353
135 4HSE ADP 3.82353
136 1Z6T ADP 3.82353
137 3ZOK GLY 3.82353
138 3RC3 ANP 3.82353
139 4N4J HG1 3.82353
140 4XZ3 ACP 3.82353
141 3ZFD ANP 3.82353
142 5SXS NIZ 3.82353
143 5AK0 8V1 3.82353
144 1OS1 ATP 3.82353
145 5UPK GNP 3.82353
146 1OS1 PYR 3.82353
147 2NGR AF3 3.84615
148 2NGR GDP 3.84615
149 2BCG GDP 3.8835
150 3E70 GDP 3.96341
151 2CDN ADP 3.9801
152 2GCO GNP 3.9801
153 2GCN GDP 3.9801
154 2A5F GTP 4
155 2FFQ GSP 4.09357
156 2GKS ADP 4.11765
157 2CE7 ADP 4.11765
158 4IEE AGS 4.11765
159 4LC1 GDP 4.11765
160 1FNN ADP 4.11765
161 2C9O ADP 4.11765
162 1YZQ GNP 4.11765
163 1Q19 APC 4.11765
164 2I4I AMP 4.11765
165 1Q19 SSC 4.11765
166 1U0J ADP 4.11985
167 3REF GDP 4.12371
168 1OW3 GDP 4.14508
169 4QOS ADP 4.15094
170 4FCW ADP 4.18006
171 1VAY AZA 4.18118
172 2FH5 GTP 4.20561
173 1O3Y GTP 4.21687
174 5KUT GDP 4.2328
175 1RE0 GDP 4.26829
176 3SBD GNP 4.27807
177 2BME GNP 4.30108
178 4CP8 MLI 4.31212
179 4D0N GDP 4.32432
180 5HPY GDP 4.32432
181 1YZN GNP 4.32432
182 1KMQ GNP 4.34783
183 4CUB GAL NAG 4.37158
184 2H8Z 8CM 4.41176
185 4UP4 NDG 4.41176
186 4PJ3 ANP 4.41176
187 4RD0 GDP 4.41176
188 2GK6 ADP 4.41176
189 6C90 ADP 4.41176
190 3WXM GTP 4.41176
191 6AU6 GDP 4.41176
192 4B2D SER 4.41176
193 6B8B ADP 4.41767
194 1GRN AF3 4.4335
195 1GRN GDP 4.4335
196 5O74 GDP 4.44444
197 1J2J GTP 4.44444
198 5JIB OIA 4.45104
199 2WQ4 SFU 4.48718
200 2WKQ GTP 4.51807
201 2G77 GDP 4.54545
202 1TX4 ALF GDP 4.54545
203 5OCQ CIT 4.5614
204 1FQK GDP 4.61538
205 2PL3 ADP 4.66102
206 2XTN GTP 4.70085
207 2AWN ADP 4.70588
208 3RLF ANP 4.70588
209 3DC4 ADP 4.70588
210 2IS6 ADP 4.70588
211 2OG2 MLI 4.70588
212 4NOS H4B 4.70588
213 4NOS H2B 4.70588
214 2FJK 13P 4.70588
215 1XX6 ADP 4.71204
216 3RAB GNP 4.73373
217 5KSP GDP 4.73684
218 5UQW GDP 4.7619
219 1Z06 GNP 4.7619
220 1Z2A GDP 4.7619
221 2OFW ADX 4.80769
222 1ZJ6 G3D 4.81283
223 2QZ4 ADP 4.96183
224 5LB3 ADP 5
225 4NON GDP 5
226 4P4T GDP 5
227 2QEN ADP 5
228 2FJU GSP 5
229 1IHU AF3 5
230 1IHU ADP 5
231 1MH1 GNP 5
232 2Q2Y ADP 5
233 2Q2Y MKR 5
234 3HU3 AGS 5
235 1P9B GDP 5
236 1YZG GDP 5.02793
237 1X1R GDP 5.05618
238 3KJI ADP 5.11811
239 1HE1 AF3 5.18518
240 1H65 GDP 5.18518
241 1HE1 GDP 5.18518
242 1FP6 ADP 5.19031
243 2D2F ADP 5.2
244 6FA4 GNP 5.20231
245 3B7G ANP 5.21739
246 1OIV GDP 5.2356
247 1OIX GDP 5.2356
248 4K81 GTP 5.26316
249 5OCG GNP 5.29101
250 4FRZ ADP 5.29412
251 5ZBR ANP 5.29412
252 4IHQ ADP 5.29412
253 5I0H ADP BEF 5.29412
254 3QDK QDK 5.29412
255 1BO4 COA 5.29412
256 1Z0J GTP 5.29412
257 3B9Q MLI 5.29801
258 1YVD GNP 5.32544
259 3CX8 GSP 5.32544
260 1RJ9 GCP 5.33333
261 5L3V GDP 5.35117
262 1U8Z GDP 5.35714
263 5L3S G 5.36913
264 5L3S GNP 5.36913
265 6BVM GNP 5.38922
266 6D5L GNP 5.38922
267 6D5M GNP 5.38922
268 1GUA GNP 5.38922
269 4HDO GNP 5.38922
270 6D5G GNP 5.38922
271 6D5H GNP 5.38922
272 6D55 GNP 5.38922
273 6BVI GNP 5.38922
274 6BVL GNP 5.38922
275 6D56 GNP 5.38922
276 6D5J GNP 5.38922
277 6BVK GNP 5.38922
278 6D59 GNP 5.38922
279 6D5E GNP 5.38922
280 6BVJ GNP 5.38922
281 6D5V GNP 5.38922
282 1LFD GNP 5.38922
283 3KUD GDP 5.42169
284 1NVV GNP 5.42169
285 1WQ1 GDP 5.42169
286 1CLU DBG 5.42169
287 5IRC GDP 5.47264
288 3M1I GTP 5.47945
289 5XKT GNP 5.5
290 2F9L GDP 5.52764
291 1LVG ADP 5.55556
292 3IIJ ADP 5.55556
293 5GVR LMR 5.55556
294 2PEZ DAT 5.58659
295 1RYH GNP 5.58824
296 3TBK ANP 5.58824
297 3K0T BGC 5.59441
298 4X8O AP5 5.60748
299 6AIC AMP 5.60748
300 1S8F GDP 5.64972
301 6HKE LMR 5.66038
302 6HKE MLT 5.66038
303 5E5U MLI 5.68182
304 3PEV IHP 5.72391
305 1YRB GDP 5.72519
306 3DEF GDP 5.72519
307 2CHG ANP 5.75221
308 3FVQ ATP 5.84958
309 2HCJ GDP 5.88235
310 4A4Z ANP 5.88235
311 1J71 THR ILE THR SER 5.88235
312 1R4A GNP 5.88235
313 2FAH GDP 5.92105
314 5U32 GDP 5.9322
315 1UJ2 C5P 5.95238
316 2C5L GTP 5.98291
317 4HI0 GDP 6.03015
318 5ZB0 ADP 6.06061
319 5ZB0 TYD 6.06061
320 3DDC GNP 6.13497
321 2JK0 ASP 6.15385
322 3N9R TD3 6.18893
323 5XC5 GTP 6.25
324 1XNG ATP 6.34328
325 1TKU 5RP 6.37255
326 2ODE ALF GDP 6.38298
327 2QN6 GDP 6.45161
328 1XKV ATP 6.47059
329 1VG9 GDP 6.47059
330 1VG0 GDP 6.47059
331 2Q8M AMP 6.47059
332 1EK0 GNP 6.47059
333 5GG9 8GM 6.47059
334 1GPM AMP 6.47059
335 1D8C GLV 6.47059
336 1P7T PYR 6.47059
337 3I7S PYR 6.50685
338 5Z2M GTP 6.52174
339 5O22 C3R 6.57439
340 5UIV ADP 6.60793
341 2IXE ATP 6.64207
342 2JBH 5GP 6.66667
343 1JJ7 ADP 6.76471
344 5BN3 ADP 6.76471
345 1SKQ GDP 6.76471
346 3AB4 THR 6.76471
347 3BC1 GNP 6.77966
348 4IDN GNP 6.78337
349 4BQS ADP 6.81818
350 4BQS K2Q 6.81818
351 1KO8 6PG 6.85714
352 2OQ2 A3P 6.89655
353 1ZD9 GDP 6.91489
354 3A4M ADP 6.92308
355 4U00 ADP 6.96721
356 3UIE ANP 7
357 5TSH ADP 7.05882
358 5TSH ANP 7.05882
359 2DPY ADP 7.05882
360 2C77 GNP 7.05882
361 2FSH ANP 7.05882
362 2C78 GNP 7.05882
363 4V0K GDP 7.10059
364 3Q72 GNP 7.22892
365 3AB3 GDP 7.31707
366 2ZR9 DTP 7.35294
367 4DCT GDP 7.35294
368 5L3R GCP 7.35294
369 1YTM ATP 7.35294
370 4TQK NAG 7.35294
371 4R98 GNH 7.38007
372 5AVF TAU 7.393
373 6G14 G4P 7.48299
374 1G3Q ADP 7.59494
375 2A9K GDP 7.62332
376 1XP8 AGS 7.64706
377 2VB6 ADP BEF 7.64706
378 1AJ8 CIT 7.64706
379 4PFO ADP 7.64706
380 3Q85 GNP 7.69231
381 1KY3 GDP 7.69231
382 1GWN GTP 7.80488
383 2HV8 GTP 7.8125
384 1E96 GTP 7.8125
385 4OI4 ATP 7.82609
386 3LN9 FLC 7.91367
387 2B8W ALF 5GP 7.92683
388 5Y6N ADP 7.94118
389 2GDJ ANP 7.95455
390 3VX3 ADP 8.06452
391 1F6B GDP 8.08081
392 2I6U CP 8.14332
393 1PUJ GNP 8.15603
394 5X40 ACP 8.21918
395 3COB ADP 8.23529
396 2ZFI ADP 8.23529
397 5MZN ADP 8.23529
398 4OUE IPT 8.23529
399 1MR3 G3D 8.28729
400 4M9Q GNP 8.37004
401 1KAO GDP 8.38323
402 4U5X GNP 8.42697
403 1CS4 GSP 8.44444
404 2WJG GDP 8.51064
405 1S9D GDP 8.52941
406 3T1O GDP 8.58586
407 3T12 GDP ALF 8.58586
408 1NF3 GNP 8.59375
409 3ZIA ADP 8.69565
410 3ZIA ATP 8.69565
411 1M7B GTP 8.69565
412 1SVI GDP 8.71795
413 1GXU 2HP 8.79121
414 1FZQ GDP 8.83978
415 1I4D GDP 8.85417
416 1TU3 GNP 8.86076
417 3H4S ADP 8.88889
418 4CVN ADP 8.90052
419 1G6H ADP 8.94942
420 4QM7 GTP 9.11765
421 1KK1 GNP 9.11765
422 1QHG ATP 9.11765
423 4ZNL BEF ADP 9.12409
424 1TQ4 GDP 9.20097
425 4DID GDP 9.21053
426 1G4U GDP 9.23913
427 1HGX 5GP 9.28962
428 2NCD ADP 9.41177
429 3CV2 OXL 9.41177
430 1CR1 TTP 9.45946
431 5KDO GDP 9.45946
432 3ZQ6 ADP ALF 9.5679
433 4H1V GNP 9.70588
434 3PQC GDP 9.74359
435 2B4B COA 9.94152
436 1DAR GDP 10
437 3FWY ADP 10
438 2D7D ADP 10
439 3BER AMP 10.0402
440 5N69 ADP 10.0503
441 5UWP GNP 10.1266
442 5UWJ GNP 10.1266
443 5UWT GNP 10.1266
444 5UWI GNP 10.1266
445 5DIF GNP 10.1266
446 5UWU GNP 10.1266
447 5UWW GNP 10.1266
448 5UWH GNP 10.1266
449 5UWO GNP 10.1266
450 4XTR ATP 10.1382
451 4XVU ATP 10.1382
452 4XTR ADP 10.1382
453 1GZF NIR 10.4265
454 1OE0 TTP 10.4348
455 4BAS GNP 10.5528
456 1LVK MNT BEF 10.5882
457 2IMG MLT 10.596
458 3MJH GTP 10.7143
459 1JI0 ATP 10.8333
460 3GJ0 GDP 10.8597
461 3GJ3 GDP 10.8597
462 3GJ4 GDP 10.8597
463 3GJ7 GDP 10.8597
464 3GJ5 GDP 10.8597
465 3GJ8 GDP 10.8597
466 1NRJ GTP 11.0092
467 1W0J ADP BEF 11.0294
468 1W0J ADP 11.0294
469 3CH5 GDP 11.1111
470 5BXQ GDP 11.1111
471 4HAT GNP 11.1111
472 1IBR GNP 11.1111
473 1UPT GTP 11.1111
474 5Z69 AGS 11.1765
475 3HQP FDP 11.1765
476 1KSH GDP 11.1842
477 2W2X GSP 11.2903
478 5TB5 GDP 11.3333
479 1QHH ATP 11.3553
480 2W58 ADP 11.3861
481 5TAR GDP 11.4865
482 1ZC3 GNP 11.5044
483 1Z0K GTP 11.5942
484 1G8S MET 11.7647
485 6BSX GDP 11.7978
486 3DKP ADP 11.8367
487 1OFH ADP 12.069
488 1M2O GNP 12.1053
489 3G5N PB2 12.1849
490 1YQT ADP 12.3529
491 5YV5 ADP 12.3529
492 1M7G AV2 12.7962
493 2J0V GDP 12.9412
494 3T5G GDP 13.1579
495 3ZS9 ADP ALF 13.1579
496 3B5J 12D 13.1687
497 1L2T ATP 13.1915
498 1B7T ADP 13.4615
499 1WA5 GTP 13.6364
500 5UWS GNP 13.6364
501 2QTV GNP 13.7725
502 1CXZ GSP 13.9535
503 2V7Q ADP 14
504 2V7Q ATP 14
505 2CK3 ADP 14
506 2CK3 ANP 14
507 1SQ5 ADP 14.2857
508 1VKJ A3P 14.386
509 3IUY AMP 14.4737
510 3MBI HSX 14.6341
511 3ITJ CIT 14.7929
512 1GOT GDP 15.0685
513 1KK8 BEF ADP 15.1079
514 4TTQ ATP 15.814
515 5BQ5 ADP BEF 16.4021
516 3BOF HCS 16.4706
517 5O2T GSP 16.5775
518 1ZUI SKM 16.6667
519 3FYH ADP 17.3913
520 3QBT GNP 17.8571
521 4YMU ATP 18.3333
522 2J73 GLC GLC GLC 18.4466
523 1D5C GDP 18.5185
524 5UWR GNP 18.5185
525 2KIN ADP 19
526 1FQJ ALF 19.0476
527 1FQJ GDP 19.0476
528 2GJ8 ALF GDP 20.9302
529 5DHF GNP 21.0526
530 6CRK GDP 21.1268
531 1GP2 GDP 21.1268
532 3NHB ADP 21.2418
533 1W7J ADP BEF 21.8543
534 4JLS 3ZE 22.3684
535 5UWQ GNP 22.7273
536 1Z0A GDP 23.5632
537 6CIT GNP 23.8095
538 1ION ADP 25.9259
539 5FII PHE 26.4706
540 5YT0 GDP 28.5714
541 5DI9 GNP 28.5714
542 1B0U ATP 30.1527
543 2UZI GTP 30.7018
544 3QF7 ANP 32
545 1F2U ATP 32.4324
546 5WLB GNP 35.2941
547 1Y3A GDP 43.75
548 3QKT ANP 46.7647
Pocket No.: 2; Query (leader) PDB : 5H68; Ligand: AGS; Similar sites found with APoc: 67
This union binding pocket(no: 2) in the query (biounit: 5h68.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 2Z5F A3P None
2 3KLL MAL 1.47059
3 3WWX DIA 2.05882
4 5I34 GDP 2.05882
5 1JQN DCO 2.05882
6 5WRI A3P 2.1875
7 5WRJ A3P 2.31023
8 4B5W PYR 2.34375
9 2CH5 NAG 2.35294
10 5Z7B VNL 2.52525
11 3UDZ ADP 2.63692
12 3ICT ADP 2.64706
13 4P6G 2FZ 2.65487
14 5MEX PAP 2.79503
15 1BXG HCI 2.94118
16 1D2N ANP 2.94118
17 3BFX A3P 3.04054
18 1Q8O MAN MMA 3.1746
19 2PHT MAN MAN MAN 3.1746
20 2PHW MAN MAN MAN BMA MAN MAN MAN 3.1746
21 2PHT MAN MAN MAN BMA MAN 3.1746
22 2PHU MAN MAN MAN BMA MAN 3.1746
23 1AQU A3P 3.7037
24 3KIF GDL 3.77358
25 3BD9 A3P 3.92857
26 1LDN FBP 4.11392
27 1DNP MHF 4.11765
28 4XJ7 ADE 4.11985
29 6CDZ CB3 4.18251
30 4UP4 NAG 4.41176
31 3VPC ADP 4.60993
32 1TAD ALF 4.62963
33 1TAD GDP 4.62963
34 2HXW FLC 4.64135
35 5BSH PRO 4.69314
36 1VBO MAN 4.69799
37 5WXU FLC 4.70588
38 4JZ8 CIT 4.73186
39 1T8U A3P 4.77941
40 5CPR 539 4.85075
41 5A1S FLC 5
42 3F6R FMN 5.40541
43 1WQ1 AF3 5.42169
44 1QMG DMV 5.58824
45 5GLN XYP XYP XYP 5.58824
46 1C1X HFA 5.6338
47 2PS1 ORO 5.75221
48 1C1D PHE 5.88235
49 1R2Q GNP 5.88235
50 2GAG FOA 6.19048
51 1GPM CIT 6.47059
52 1O5O U5P 6.78733
53 3ZX4 2M8 6.94981
54 4A59 AMP 7.05882
55 1USI PHE 7.05882
56 1IK4 PGH 7.23684
57 2HS3 FGR 7.35294
58 3AI8 HNQ 7.8125
59 4BC5 5FX 7.94118
60 5CIC 51R 10.1852
61 2ARC ARA 10.3659
62 2JDU MFU 10.4348
63 4HUT ATP 10.4712
64 5HV7 RBL 10.5882
65 5CSS G3P 11.5044
66 1SNN 5RP 12.7753
67 5LVP ATP 26.6667
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