Receptor
PDB id Resolution Class Description Source Keywords
5C03 1.9 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF KINASE HOMO SAPIENS PSEUDOKINASE DOMAIN TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF THE J PSEUDOKINASE DOMAIN OF JAK FAMILY TYROSINE KINASE 2 J.BIOL.CHEM. V. 290 27261 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:905;
B:904;
A:908;
A:904;
B:906;
B:905;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GOL B:907;
B:903;
A:906;
A:903;
A:907;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:902;
B:902;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
AGS B:901;
A:901;
Valid;
Valid;
none;
none;
Kd = 15 uM
523.247 C10 H16 N5 O12 P3 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5C03 1.9 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF KINASE HOMO SAPIENS PSEUDOKINASE DOMAIN TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF THE J PSEUDOKINASE DOMAIN OF JAK FAMILY TYROSINE KINASE 2 J.BIOL.CHEM. V. 290 27261 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 5C03 Kd = 15 uM AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4WOV ic50 = 72 nM 3SM C19 H21 N7 O2 CNc1c2c(c3....
2 5C03 Kd = 15 uM AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5UT4 Kd = 42 uM DQX C27 H28 F2 N6 O c1cc(c2c(c....
2 5USZ Kd = 106 nM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
3 4FVR - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 5I4N - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 5UT5 - 2HB C21 H23 N5 O3 S c1cc(n2c(c....
6 4FVQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 5UT0 - 35R C19 H23 N7 O2 c1cc2c(cc1....
8 5UT6 Kd = 57.3 uM 8MY C15 H13 N7 O c1cc(ccc1C....
9 5UT2 - 3YT C19 H23 N9 O c1cc(cc(c1....
10 5UT3 - IK1 C12 H11 N3 O2 S c1ccc(cc1)....
11 5UT1 - 7DZ C19 H23 F2 N5 O2 C[C@H]1C(=....
12 4WOV ic50 = 72 nM 3SM C19 H21 N7 O2 CNc1c2c(c3....
13 5C03 Kd = 15 uM AGS C10 H16 N5 O12 P3 S 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 : 5C03; Ligand: AGS; Similar sites found: 344
This union binding pocket(no: 1) in the query (biounit: 5c03.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2OVD DAO 0.01155 0.41834 None
2 2YNE YNE 0.03148 0.42045 1.46199
3 2YNE NHW 0.03148 0.42045 1.46199
4 1P9B IMO 0.02271 0.4147 1.46199
5 3KJS NAP 0.01011 0.41054 1.46199
6 5I35 ANP 0.000001641 0.56712 1.75439
7 4OCJ NDG 0.00106 0.46499 1.75439
8 4OCV ANP 0.0002234 0.45933 1.75439
9 2VPQ ANP 0.000659 0.45481 1.75439
10 4WA2 SIA GAL NAG 0.01449 0.41284 1.75439
11 2YW2 ATP 0.000984 0.42462 2.04678
12 3I0O ADP 0.001926 0.4443 2.0649
13 3RG9 WRA 0.02306 0.4037 2.08333
14 3RG9 NDP 0.01996 0.4037 2.08333
15 4DFU QUE 0.002397 0.45038 2.17391
16 5UAV NDP 0.02058 0.40202 2.17391
17 4R78 AMP 0.0004197 0.4821 2.26537
18 2V58 LZJ 0.0009717 0.47355 2.33918
19 2Q7D ANP 0.0004098 0.46958 2.33918
20 2PUL ACP 0.001069 0.46602 2.33918
21 2VQD AP2 0.0002376 0.44988 2.33918
22 3TII ANP 0.003659 0.43094 2.33918
23 4LH7 1X8 0.000455 0.48471 2.47678
24 3PN1 IVH 0.0002574 0.42595 2.51572
25 1OBD ATP 0.00332 0.40162 2.61438
26 3AKK ADP 0.002647 0.41403 2.76923
27 1PK8 ATP 0.0006275 0.40854 2.8436
28 1I7L ATP 0.0007032 0.45542 2.91262
29 3VOT ADP 0.00001469 0.54574 2.92398
30 4GYI ADP 0.0001492 0.49127 2.92398
31 3KAL ADP 0.0003823 0.48045 2.92398
32 4EIP K2C 0.03736 0.4003 2.92398
33 4EIP FAD 0.03736 0.4003 2.92398
34 2CSN CKI 0.04332 0.40205 3.0303
35 4O1P ANP 0.000001138 0.56682 3.21637
36 4BTK DTQ 0.00002972 0.50508 3.21637
37 4RDL FUC GAL NDG FUC 0.0008935 0.47632 3.24675
38 5C1P ADP 0.0005302 0.43253 3.26797
39 5C1P DAL DAL 0.002509 0.4323 3.26797
40 3HAV ATP 0.000031 0.54951 3.34448
41 4OAV ACP 0.000002138 0.562 3.50877
42 4OUC 5ID 0.00004018 0.51138 3.50877
43 4U98 ACP 0.0005632 0.45411 3.50877
44 1M0W ANP 0.0004197 0.44341 3.50877
45 4AZT LY2 0.0007433 0.46412 3.51494
46 4NFN 2KC 0.00004389 0.49038 3.55987
47 5C4L 4XR 0.0001789 0.4927 3.73832
48 5C4L SIS 0.0002705 0.48441 3.73832
49 3X01 AMP 0.0008655 0.47575 3.80117
50 3TTI KBI 0.000015 0.45755 3.80117
51 3WVR AMP 0.00122 0.44375 3.80117
52 3RE4 TO1 0.0003313 0.43287 3.80117
53 5MRH Q9Z 0.006374 0.42398 3.80117
54 5DZT AMP 0.000309 0.41495 3.80117
55 4UP4 GAL NAG 0.02996 0.41004 3.80117
56 3VSV XYS 0.01786 0.40803 3.80117
57 5W2I ADP 0.003123 0.42635 3.89105
58 5W2I I3P 0.003123 0.42635 3.89105
59 3K5I ADP 0.001022 0.4424 3.97022
60 3K5I AIR 0.002358 0.4424 3.97022
61 4QM9 CYS 0.01997 0.4041 4.04624
62 4UX9 ANP 0.000002758 0.53031 4.09357
63 2B9H ADP 0.00003114 0.50681 4.09357
64 2B9I ADP 0.00003424 0.5024 4.09357
65 3ORQ ADP 0.001849 0.43103 4.09357
66 4AZW ATP 0.0005758 0.4534 4.24628
67 1ZP9 ATP 0.00007513 0.49898 4.26357
68 1ZTH ADP 0.00004091 0.46899 4.26357
69 2WU6 DKI 0.000001023 0.58016 4.38596
70 4MV1 ADP 0.003278 0.43577 4.38596
71 5FCF GLY GLY GLY 0.007798 0.42797 4.38596
72 2IO8 ADP 0.001153 0.40487 4.38596
73 4IGH 1EA 0.04899 0.40421 4.38596
74 4IGH FMN 0.04899 0.40421 4.38596
75 4IGH ORO 0.04899 0.40421 4.38596
76 3E7O 35F 0.0001426 0.4 4.38596
77 2PYW ADP 0.0000179 0.51991 4.67836
78 3ETH ATP 0.0006453 0.45326 4.67836
79 1OX5 1PR 0.01031 0.40881 4.67836
80 4KAX 4IP 0.01502 0.41001 4.73373
81 1GSA ADP 0.01794 0.41675 4.74684
82 4XYM A12 0.0006918 0.44774 4.78261
83 5IQD GNP 0.00003738 0.532 4.91803
84 5IQD RIO 0.00004014 0.532 4.91803
85 2B9F ADP 0.00001873 0.51382 4.97076
86 2F7A BEZ 0.01918 0.40754 5.17241
87 2QK4 ATP 0.0002125 0.43132 5.26316
88 5BRP PNG 0.02454 0.40116 5.26316
89 2BKK ADP 0.002194 0.43671 5.32544
90 4CC6 L5Y 0.0004785 0.4793 5.34591
91 5ML3 DL3 0.006351 0.42831 5.36913
92 3ZJX BOG 0.003593 0.44463 5.53633
93 3TDV GDP 0.0002235 0.46689 5.55556
94 1EHI ADP 0.0007332 0.43744 5.55556
95 5GZ9 ANP 0.00001362 0.53 5.57377
96 5K2M ADP 0.0001777 0.48223 5.66038
97 5VZ0 ADP 0.0007657 0.43762 5.84795
98 3OYW TDG 0.0149 0.4102 5.97015
99 1W2D ADP 0.002853 0.43612 6.03774
100 4CYI ATP 0.0000164 0.5216 6.14035
101 3V4S ATP 0.0007394 0.45063 6.20155
102 3V4S ADP 0.005488 0.42904 6.20155
103 4OCT AKG 0.01376 0.40327 6.30631
104 2YRX AMP 0.02153 0.40505 6.43275
105 4JGP PYR 0.006347 0.43118 6.45161
106 5CKW ANP 0.00004433 0.46829 6.65188
107 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.009023 0.41211 6.66667
108 1TQP ATP 0.00001324 0.47913 6.73759
109 5TDF ADP 0.0007218 0.44906 6.79012
110 1IA9 ANP 0.00006537 0.48146 7.14286
111 5M06 ADP 0.000001648 0.54126 7.24638
112 2CDO GAL AAL GAL AAL GAL AAL 0.009135 0.43468 7.5
113 2CFM AMP 0.001588 0.44832 7.60234
114 4CUB GAL NAG 0.01406 0.40956 8.74317
115 5MW8 ATP 0.00007514 0.4969 8.77193
116 4ZS4 ATP 0.00002561 0.49824 8.79479
117 4FE2 ADP 0.006306 0.41525 9.01961
118 5MY8 RXZ 0.00002111 0.52588 9.06433
119 2W5P CL8 0.004984 0.44466 9.39597
120 1FAO 4IP 0.009525 0.42006 9.52381
121 3UDZ ADP 0.00002676 0.50969 9.53347
122 4WW7 AMP 0.000001082 0.57645 9.57854
123 4LZB URA 0.03299 0.40069 9.66387
124 2GQR ADP 0.005948 0.40089 9.70464
125 3PDT ADP 0.0001025 0.47189 9.81818
126 4IX4 ADP 0.00006577 0.49498 9.94152
127 2GQS ADP 0.004058 0.41585 10.1266
128 4Q5H ANP 0.00001277 0.52107 10.2564
129 3PE2 E1B 0.00000006194 0.67647 10.6825
130 3OFM 4B0 0.0000002021 0.56593 10.8187
131 1CM8 ANP 0.0001697 0.46618 10.8187
132 5EKO N17 0.003072 0.42496 10.8187
133 4XMF HSM 0.00007429 0.55667 10.8696
134 5AWM ANP 0.00001181 0.55027 10.9137
135 5LXC 7AA 0.000006856 0.51757 11.1111
136 3GC8 B45 0.00001805 0.48524 11.1111
137 2PVN P63 0.0000003473 0.61339 11.4035
138 1OUK 084 0.00009831 0.5588 11.4035
139 4LOO SB4 0.0002487 0.46487 11.4035
140 4XBT 3ZQ 0.003563 0.41446 11.6129
141 4XBT FLC 0.007345 0.40813 11.6129
142 5BYZ 4WE 0.000298 0.48248 11.6959
143 4FG8 ATP 0.00003514 0.50699 11.746
144 1TZD ADP 0.003354 0.4548 12
145 4IJP 1EH 0.00004285 0.50319 12.2807
146 3VPB ADP 0.00002593 0.52185 12.4113
147 3VPC ADP 0.00007686 0.46111 12.4113
148 4H3P ANP 0.0000001098 0.61107 12.8655
149 4H3Q ANP 0.0000006465 0.58907 12.8655
150 4QTB 38Z 0.000002122 0.57746 12.8655
151 4JR7 GNP 0.000001007 0.56914 12.8655
152 5BVE 4VG 0.00002807 0.56261 12.8655
153 4LRJ ANP 0.00004187 0.49221 13.0178
154 2QX0 PH2 0.002215 0.45545 13.2075
155 4ZBY URA 0.01642 0.41615 13.4021
156 3GNI ATP 0.00000008938 0.62148 13.4503
157 4AUA 4AU 0.00008638 0.47893 14.0065
158 1PHK ATP 0.000001128 0.57001 14.094
159 3Q60 ATP 0.00004816 0.50171 14.3275
160 4OH4 ANP 0.0000003955 0.58682 14.4144
161 5LPZ ADP 0.0000001171 0.60986 14.4578
162 4USF 6UI 0.00005729 0.50428 14.4737
163 2XK9 XK9 0.03542 0.41579 14.5963
164 5VCV 1N1 0.000003879 0.49316 15.1125
165 5X8I SQZ 0.00002666 0.50713 15.2047
166 5LPB ADP 0.0000007816 0.53437 16.2162
167 4NST ADP 0.0000004894 0.58279 16.3743
168 4WNK 453 0.0001112 0.50056 16.3743
169 3V8S 0HD 0.000005981 0.54209 16.6667
170 5DMZ ADP 0.00009895 0.48231 17.2515
171 4Y0X ADP 0.00002001 0.50097 17.5439
172 2PZI AXX 0.0007084 0.45967 17.5439
173 1ZY5 ANP 0.00000392 0.53464 17.8218
174 4YZC STU 0.000003235 0.5819 18.7134
175 5UKL SIX 0.001244 0.44933 18.7134
176 3PVW QRX 0.00008911 0.43619 18.7134
177 2V7O DRN 0.000005696 0.49449 18.75
178 4Y85 499 0.00007898 0.47977 18.9759
179 3TXO 07U 0.0000206 0.49701 19.0058
180 4YLL 4E3 0.00007883 0.49597 19.0058
181 3FHR P4O 0.00005518 0.48401 19.0476
182 3M2W L8I 0.0001024 0.46362 19.0635
183 3C0G 3AM 0.00000008467 0.64294 19.2982
184 4IDT T28 0.00002396 0.50259 19.2982
185 2VZ6 FEF 0.0002402 0.48162 19.4888
186 5JZJ AN2 0.000005702 0.52884 19.5286
187 4L9I 8PR 0.0008714 0.44566 19.883
188 4N70 2HX 0.000001187 0.61751 20.122
189 2WEL K88 0.00005469 0.43714 20.1835
190 3KN5 ANP 0.00002047 0.49058 20.3077
191 3CY2 MB9 0.00001631 0.48005 20.7006
192 2YAB AMP 0.000008767 0.51925 20.7602
193 4X7Q 3YR 0.00007232 0.48825 20.8333
194 4Y8D 49J 0.00005087 0.4949 20.8824
195 4WB6 ATP 0.000009474 0.5437 21.0526
196 4C2V YJA 0.00008815 0.41957 21.0526
197 3ALN ANP 0.000001043 0.5744 21.1009
198 4OTH DRN 0.000000437 0.55043 21.1144
199 4EUU BX7 0.000008966 0.46704 21.3166
200 1RE8 BD2 0.00001357 0.56384 21.345
201 2QCS ANP 0.000003929 0.56102 21.345
202 3FHI ANP 0.000007589 0.54807 21.345
203 2R5T ANP 0.0000009088 0.54108 21.345
204 3HMO STU 0.00000272 0.54103 21.345
205 3IDB ANP 0.00000779 0.49478 21.345
206 4WB7 ATP 0.00001944 0.41856 21.345
207 4CRL C1I 0.00006763 0.40848 21.345
208 2GU8 796 0.00002049 0.56437 21.365
209 2ZV2 609 0.0001098 0.5039 21.4765
210 4C2W ANP 0.0000001331 0.56593 21.5054
211 5EYK 5U5 0.0000378 0.51841 21.7391
212 2VN9 GVD 0.00002454 0.46968 21.9269
213 3VHE 42Q 0.00007975 0.41853 21.9298
214 3E8N VRA 0.000004104 0.4056 21.9941
215 3E8N ATP 0.000004104 0.4056 21.9941
216 2JLD AG1 0.00000007012 0.65405 22.381
217 1CBK ROI 0.01716 0.40923 22.5
218 4L3L 5FI 0.00003983 0.52104 22.6974
219 3DAK ANP 0.000003749 0.53111 22.7586
220 1Q8Y ADP 0.000009985 0.5311 22.807
221 1Q8Y ADE 0.000002506 0.50597 22.807
222 4I6H 1C8 0.00000672 0.53321 23.0519
223 2Z7R STU 0.00000008346 0.62583 23.053
224 1VJY 460 0.000002277 0.58197 23.1023
225 5N87 N66 0.00001112 0.55514 23.3227
226 5T8O 76Z 0.00006837 0.47271 23.4957
227 3H9R TAK 0.0001444 0.50486 24.8485
228 2YAK OSV 0.000003348 0.46485 24.9123
229 4NM5 ADP 0.000008751 0.4919 24.9337
230 1XJD STU 0.000002979 0.53742 25.1462
231 3ZRM ZRM 0.000004032 0.54288 25.3369
232 5DH3 5BS 0.0003488 0.44366 25.3968
233 3SXF BK5 0.00003475 0.41248 25.4386
234 5A6N U7E 0.000002045 0.55867 25.4417
235 4D2S DYK 0.000109 0.45806 25.7042
236 4CFU 2WC 0.0000004817 0.59902 25.7426
237 4G17 0VN 0.0002557 0.4518 25.7576
238 5L8L ADP 0.0000002899 0.62739 25.9649
239 5G1X ADP 0.0000006339 0.58553 25.9649
240 5IH9 6BF 0.00001286 0.55219 25.9701
241 4BCN T9N 0.000002829 0.57174 26
242 2RIO ADP 0.0000009485 0.56258 26.0234
243 4F9C 0SX 0.000001555 0.55204 26.0234
244 5LXM ADP 0.0000003776 0.59556 26.1484
245 4BCM T7Z 0.0000002099 0.52897 26.2458
246 4BCQ TJF 0.00001199 0.48848 26.2458
247 5W4W 9WG 0.0001453 0.49686 26.284
248 4KBA 1QM 0.00008382 0.42672 26.284
249 5EFQ ADP 0.0000002029 0.59946 26.3158
250 5LVP ATP 0.0000007113 0.55021 26.3666
251 2XMY CDK 0.0000004169 0.6566 26.5101
252 5LMK 6ZK 0.0000004828 0.56303 26.5993
253 4NW6 2NS 0.000001038 0.46904 26.6254
254 3F7Z 34O 0.0000006983 0.57606 26.8571
255 4A4X JUP 0.000001606 0.57863 26.8817
256 3HZT J60 0.00009239 0.50749 26.9006
257 5EW9 5VC 0.00002405 0.59074 27.3063
258 5DBX ANP 0.000002472 0.52636 27.439
259 3E5A VX6 0.0000347 0.45245 27.6119
260 3DLS ADP 0.00003119 0.49091 28.0597
261 4XH0 ADP 0.000009563 0.57587 28.0702
262 5LI1 ANP 0.000002272 0.56215 28.0702
263 5LI9 ACP 0.00001447 0.5087 28.0702
264 3TKI S25 0.000002501 0.60685 28.7926
265 2HY0 306 0.0002112 0.48423 28.882
266 4JDI ANP 0.0000005904 0.5853 28.9474
267 3AQV TAK 0.0003028 0.46114 28.9855
268 4BHN BH9 0.00001371 0.49964 29.3413
269 4BFM ANP 0.0000007951 0.55227 29.5322
270 1BHX ASP PHE GLU GLU ILE 0.009009 0.41214 30
271 4AU8 Z3R 0.0001778 0.44445 30.4054
272 3IGO ANP 0.00003975 0.47546 30.7018
273 1UNH IXM 0.000006213 0.55578 30.8219
274 3O0G 3O0 0.00001121 0.51585 30.8219
275 3SLS ANP 0.0000002725 0.60303 30.9211
276 4ASE AV9 0.00008635 0.4235 31.2866
277 5EOB 5QQ 0.00001054 0.57745 31.348
278 3ORK AGS 0.000004154 0.49099 31.5113
279 2WQN ADP 0.0000006721 0.6009 31.6129
280 2X4Z X4Z 0.000005496 0.43675 31.7568
281 2F57 23D 0.00001091 0.5372 31.8612
282 1V0O INR 0.00002909 0.49629 31.9444
283 5JGA 6KC 0.00005292 0.41572 32.381
284 2A19 ANP 0.0000003347 0.6244 32.3944
285 3UIM ANP 0.00000008096 0.61684 32.4561
286 5AX9 4KT 0.00000899 0.5277 32.4675
287 5HVJ ANP 0.000006657 0.58328 32.6984
288 3GC0 AMP 0.00000002404 0.66848 32.8267
289 5HES 032 0.00006669 0.49701 32.899
290 4I94 ANP 0.000004339 0.53393 33
291 2X2M X2M 0.00003551 0.50916 33.121
292 3MVH WFE 0.000002136 0.57937 33.3333
293 4XV1 904 0.0000006239 0.60995 33.5616
294 3KRL KRL 0.000008564 0.49749 33.6257
295 4AG8 AXI 0.00003749 0.40092 33.8608
296 5CEO 50D 0.000005374 0.53744 34
297 4U44 3D9 0.00006729 0.48961 34.0361
298 2XVD AS6 0.000005551 0.46567 34.106
299 3GQI ACP 0.000007879 0.5302 34.6626
300 3PLS ANP 0.0000001874 0.60912 35.2349
301 4YZN 4K5 0.0000002778 0.60544 35.5401
302 2WEI VGG 0.00004661 0.50844 35.5401
303 4KS7 X4Z 0.0000006555 0.53311 35.6164
304 2PVF ACP 0.000005096 0.54519 35.6287
305 5UR1 YY9 0.000008588 0.56939 35.6913
306 4K33 ACP 0.00001407 0.52194 35.6923
307 5UOX 8GY 0.000005093 0.50728 35.7934
308 4M69 ANP 0.000000345 0.56534 36.0424
309 1BYG STU 0.000000312 0.60762 37.0504
310 5KO1 6UY 0.000002533 0.55871 37.1025
311 4P5Z Q7M 0.00000006002 0.66512 37.1345
312 3PP0 03Q 0.00004238 0.44678 37.1345
313 4QMN DB8 0.000002499 0.43484 37.1345
314 5JKG 6LF 0.00007175 0.52011 37.299
315 4WNP 3RJ 0.0000008097 0.59712 37.6307
316 3GGF GVD 0.000007462 0.51627 37.7193
317 4YMJ 4EJ 0.0000001046 0.67915 37.8289
318 1U5R ATP 0.000001925 0.55687 38.3041
319 1U59 STU 0.00000697 0.53252 38.3275
320 3RI1 3RH 0.00001636 0.53295 38.3387
321 5HCY 60D 0.00001593 0.55792 38.5965
322 4BKJ STI 0.000241 0.4782 38.7302
323 3KMW ATP 0.00002016 0.50507 38.7454
324 1JPA ANP 0.0000002195 0.6717 38.7821
325 4CQE CQE 0.00003981 0.50696 38.8489
326 5TA6 79D 0.0000004021 0.50105 39.3855
327 2OO8 RAJ 0.002052 0.40428 39.4322
328 2BPM 529 0.0000006583 0.40621 39.8058
329 5JFS 6K0 0.000001944 0.59714 39.9351
330 2Y6O 1N1 0.00002895 0.5131 40.2062
331 4AT3 LTI 0.00008759 0.41552 40.4682
332 4CLI 5P8 0.00000454 0.58401 40.6728
333 3BU5 ATP 0.000002578 0.55135 41.1765
334 3NW7 LGV 0.00001965 0.55611 41.3681
335 3EKK GS2 0.000000354 0.45142 41.3681
336 4DC2 ADE 0.000006161 0.45117 41.5205
337 3C1X CKK 0.0005203 0.42934 42.1053
338 5HQ0 LZ9 0.000001241 0.57106 42.3841
339 1K3A ACP 0.000000006043 0.6965 42.4749
340 5UIU 8CG 0.00002164 0.5332 42.7245
341 5NKB 8ZT 0.000006871 0.40011 42.8105
342 5U6C 7YS 0.000001787 0.52672 44.127
343 5MJA 7O3 0.0002628 0.44989 44.918
344 2B9J ADP 0.00002778 0.49983 46.1538
Pocket No.: 2; Query (leader) PDB : 5C03; Ligand: AGS; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 5c03.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UWH JXM 0.004798 0.40008 1.75439
2 5UAV TFB 0.02156 0.40314 2.17391
3 2PT9 2MH 0.01793 0.40486 2.49221
4 1PCA VAL 0.02539 0.40425 2.92398
5 5FLJ QUE 0.007576 0.40741 3.22581
6 2R0D 4IP 0.01996 0.40373 3.7464
7 4D4U FUC NDG GAL FUC 0.01835 0.40379 4.44444
8 3W0O HY0 0.0002788 0.40246 4.97076
9 3W0O ADP 0.0002788 0.40246 4.97076
10 4FHD EEM 0.007828 0.41823 5.26316
11 4FHD 0TT 0.007828 0.41823 5.26316
12 4OPC FDA 0.04975 0.41657 8.18713
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