Receptor
PDB id Resolution Class Description Source Keywords
3GNI 2.35 Å EC: 2.-.-.- STRUCTURE OF STRAD AND MO25 HOMO SAPIENS KINASE FOLD PSEUDOKINASE ALPHA HELICAL REPEAT PROTEIN ADAPROTEIN ATP-BINDING CELL CYCLE KINASE NUCLEOTIDE-BINDINNUCLEUS PHOSPHOPROTEIN TRANSFERASE METAL BINDING PROTEINTRANSFERASE COMPLEX SIGNALING PROTEIN-SIGNALING PROTEIN CO
Ref.: ATP AND MO25ALPHA REGULATE THE CONFORMATIONAL STATE STRADALPHA PSEUDOKINASE AND ACTIVATION OF THE LKB1 SUPPRESSOR PLOS BIOL. V. 7 E1000 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP B:1;
Valid;
none;
Kd = 0.02 uM
507.181 C10 H16 N5 O13 P3 c1nc(...
CIT A:342;
Valid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
GLU VAL ASP ASP TRP GLU PHE B:425;
Invalid;
none;
submit data n/a n/a n/a n/a
LEU ASN HIS SER PHE PHE LYS GLN ILE B:374;
Invalid;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GNI 2.35 Å EC: 2.-.-.- STRUCTURE OF STRAD AND MO25 HOMO SAPIENS KINASE FOLD PSEUDOKINASE ALPHA HELICAL REPEAT PROTEIN ADAPROTEIN ATP-BINDING CELL CYCLE KINASE NUCLEOTIDE-BINDINNUCLEUS PHOSPHOPROTEIN TRANSFERASE METAL BINDING PROTEINTRANSFERASE COMPLEX SIGNALING PROTEIN-SIGNALING PROTEIN CO
Ref.: ATP AND MO25ALPHA REGULATE THE CONFORMATIONAL STATE STRADALPHA PSEUDOKINASE AND ACTIVATION OF THE LKB1 SUPPRESSOR PLOS BIOL. V. 7 E1000 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 3GNI Kd = 0.02 uM ATP C10 H16 N5 O13 P3 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 211 families.
1 3GNI Kd = 0.02 uM ATP C10 H16 N5 O13 P3 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 166 families.
1 3GNI Kd = 0.02 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 404
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 SAP 0.84 0.945946
10 AGS 0.84 0.945946
11 AN2 0.810811 0.985915
12 25L 0.809524 0.985915
13 APR 0.802632 0.971831
14 AR6 0.802632 0.971831
15 M33 0.8 0.958333
16 TAT 0.794872 0.958904
17 ACQ 0.794872 0.972222
18 AD9 0.792208 0.972222
19 ACP 0.789474 0.972222
20 A 0.788732 0.971429
21 AMP 0.788732 0.971429
22 ANP 0.772152 0.972222
23 ADX 0.753247 0.873418
24 CA0 0.753247 0.945205
25 A22 0.746988 0.985915
26 50T 0.74359 0.958333
27 APC 0.734177 0.958904
28 PRX 0.734177 0.893333
29 ABM 0.733333 0.917808
30 ATF 0.731707 0.958904
31 ITT 0.730769 0.943662
32 7D4 0.730769 0.905405
33 ADQ 0.729412 0.945205
34 AMP MG 0.72 0.891892
35 AP2 0.714286 0.958904
36 A12 0.714286 0.958904
37 A1R 0.709302 0.907895
38 SRA 0.706667 0.918919
39 5AL 0.698795 0.931507
40 OAD 0.693182 0.945205
41 ADP MG 0.6875 0.905405
42 AU1 0.6875 0.972222
43 SRP 0.682353 0.906667
44 G5P 0.680851 0.921053
45 BEF ADP 0.679012 0.881579
46 ADP BEF 0.679012 0.881579
47 25A 0.678161 0.971831
48 3OD 0.677778 0.945205
49 4AD 0.670455 0.92
50 G3A 0.670213 0.921053
51 00A 0.662921 0.883117
52 ADV 0.662651 0.932432
53 ADP PO3 0.662651 0.943662
54 RBY 0.662651 0.932432
55 BIS 0.659341 0.933333
56 5SV 0.659091 0.848101
57 8QN 0.659091 0.931507
58 OOB 0.659091 0.931507
59 GTA 0.65625 0.886076
60 ATP MG 0.654762 0.905405
61 UP5 0.653061 0.92
62 AMO 0.651685 0.932432
63 PAJ 0.651685 0.884615
64 2A5 0.650602 0.918919
65 MAP 0.647727 0.945946
66 3AT 0.647059 0.971831
67 AHX 0.644444 0.896104
68 DLL 0.644444 0.931507
69 PAP 0.642857 0.985714
70 ATR 0.642857 0.971429
71 PTJ 0.641304 0.896104
72 7D3 0.6375 0.905405
73 3UK 0.637363 0.918919
74 SON 0.634146 0.932432
75 A4P 0.633663 0.843373
76 ALF ADP 0.632184 0.87013
77 ADP ALF 0.632184 0.87013
78 LAD 0.630435 0.860759
79 WAQ 0.630435 0.883117
80 PR8 0.630435 0.85
81 AFH 0.628866 0.884615
82 DTP 0.627907 0.905405
83 GAP 0.627907 0.893333
84 ANP MG 0.625 0.894737
85 VO4 ADP 0.625 0.931507
86 ADP VO4 0.625 0.931507
87 1ZZ 0.623656 0.839506
88 TXA 0.623656 0.932432
89 FYA 0.623656 0.905405
90 ME8 0.623656 0.839506
91 NB8 0.623656 0.896104
92 T5A 0.621359 0.841463
93 RAB 0.619718 0.84507
94 ADN 0.619718 0.84507
95 XYA 0.619718 0.84507
96 9SN 0.610526 0.871795
97 48N 0.61 0.896104
98 AP0 0.607843 0.896104
99 FA5 0.604167 0.906667
100 YAP 0.604167 0.894737
101 TXD 0.60396 0.907895
102 6V0 0.60396 0.896104
103 NXX 0.60396 0.932432
104 NAI 0.60396 0.907895
105 DND 0.60396 0.932432
106 NAX 0.60396 0.873418
107 ADP BMA 0.602151 0.918919
108 A2R 0.6 0.985915
109 OMR 0.598039 0.851852
110 TXE 0.598039 0.907895
111 XAH 0.597938 0.839506
112 DAL AMP 0.593407 0.905405
113 7DT 0.593023 0.985714
114 AOC 0.592593 0.821918
115 4UV 0.591837 0.894737
116 DDS 0.590909 0.878378
117 139 0.590476 0.873418
118 CNA 0.584906 0.932432
119 6AD 0.58427 0.909091
120 5AS 0.583333 0.77907
121 5N5 0.581081 0.819444
122 4UU 0.58 0.894737
123 4TC 0.576923 0.896104
124 ADJ 0.575472 0.851852
125 5CD 0.573333 0.805556
126 A4D 0.573333 0.819444
127 RGT 0.571429 0.958904
128 A3P 0.571429 0.971429
129 7D5 0.56962 0.878378
130 LAQ 0.568627 0.839506
131 YLP 0.563107 0.819277
132 A A 0.5625 0.944444
133 UPA 0.561905 0.907895
134 AV2 0.56044 0.917808
135 COD 0.559633 0.811765
136 4UW 0.557692 0.860759
137 JB6 0.556701 0.883117
138 3AM 0.555556 0.929577
139 ATP A A A 0.555556 0.930556
140 A2P 0.552941 0.957143
141 TYM 0.552381 0.906667
142 NA7 0.552083 0.958904
143 EP4 0.551282 0.753247
144 MYR AMP 0.55102 0.817073
145 PPS 0.549451 0.873418
146 YLB 0.54717 0.819277
147 YLC 0.54717 0.839506
148 NAD 0.545455 0.931507
149 DAT 0.545455 0.905405
150 G5A 0.544444 0.77907
151 M2T 0.544304 0.734177
152 DTA 0.544304 0.786667
153 3DH 0.54321 0.773333
154 128 0.542857 0.776471
155 AHZ 0.538462 0.817073
156 SSA 0.537634 0.8
157 GTP 0.537634 0.92
158 MTA 0.5375 0.773333
159 IOT 0.537037 0.831325
160 A3D 0.535714 0.918919
161 TYR AMP 0.534653 0.881579
162 AR6 AR6 0.533981 0.917808
163 7MD 0.533981 0.8625
164 YLA 0.53211 0.819277
165 AMP DBH 0.529412 0.893333
166 IMO 0.529412 0.929577
167 TAD 0.528846 0.884615
168 AYB 0.527273 0.809524
169 A5A 0.526882 0.807229
170 TSB 0.526316 0.819277
171 EAD 0.525424 0.873418
172 2AM 0.52439 0.943662
173 6RE 0.52381 0.759494
174 7DD 0.522727 0.985714
175 V3L 0.521739 0.971831
176 AVV 0.520833 0.896104
177 BTX 0.517857 0.841463
178 NAE 0.517241 0.894737
179 54H 0.515789 0.788235
180 VMS 0.515789 0.788235
181 52H 0.515789 0.77907
182 NSS 0.515464 0.8
183 BT5 0.513274 0.831325
184 NAQ 0.512821 0.871795
185 ZAS 0.511905 0.766234
186 A3N 0.511628 0.786667
187 J7C 0.511628 0.769231
188 5X8 0.511111 0.763158
189 53H 0.510417 0.77907
190 5CA 0.510417 0.8
191 ARU 0.510204 0.860759
192 ARG AMP 0.509434 0.829268
193 AF3 ADP 3PG 0.509259 0.8375
194 LA8 ALF 3PG 0.509259 0.8375
195 ALF ADP 3PG 0.509259 0.8375
196 ZID 0.508475 0.918919
197 P1H 0.508197 0.851852
198 OVE 0.505882 0.905405
199 S4M 0.505747 0.666667
200 LPA AMP 0.504673 0.817073
201 7MC 0.504587 0.841463
202 DZD 0.5 0.884615
203 LSS 0.5 0.761364
204 DSZ 0.5 0.8
205 P5A 0.5 0.744444
206 DSH 0.5 0.725
207 FB0 0.5 0.804598
208 MAO 0.5 0.759036
209 NDE 0.495935 0.932432
210 N0B 0.495798 0.819277
211 M24 0.495726 0.85
212 YLY 0.495726 0.809524
213 NJP 0.495575 0.945946
214 NVA LMS 0.494949 0.761364
215 MGP 0.494737 0.884615
216 6C6 0.494624 0.881579
217 NAJ PZO 0.491379 0.848101
218 0WD 0.491228 0.921053
219 LEU LMS 0.49 0.761364
220 6G0 0.489583 0.884615
221 GJV 0.488636 0.75
222 6FA 0.488189 0.841463
223 5AD 0.486842 0.746479
224 GSU 0.485149 0.77907
225 KAA 0.485149 0.752809
226 71V 0.483146 0.907895
227 NEC 0.482759 0.746667
228 A3G 0.482759 0.8
229 NAD IBO 0.482456 0.87013
230 ODP 0.482456 0.909091
231 FAS 0.48062 0.851852
232 FAD 0.48062 0.851852
233 7D7 0.480519 0.743243
234 FDA 0.480315 0.833333
235 N6P 0.48 0.915493
236 2SA 0.479167 0.932432
237 GP3 0.478723 0.921053
238 4TA 0.478261 0.807229
239 G A A A 0.478261 0.871795
240 SFG 0.478261 0.75
241 NPW 0.477876 0.886076
242 NDP 0.477876 0.921053
243 NDC 0.47619 0.871795
244 YSA 0.47619 0.77907
245 MGO 0.474227 0.860759
246 6IA 0.473684 0.8375
247 TXP 0.473684 0.921053
248 GDP 0.473684 0.92
249 NZQ 0.473684 0.909091
250 A7D 0.472527 0.776316
251 SFD 0.469231 0.734043
252 ZDA 0.468085 0.864865
253 SA8 0.468085 0.707317
254 A5D 0.468085 0.786667
255 12D 0.46789 0.785714
256 PGS 0.467391 0.883117
257 MHZ 0.467391 0.697674
258 62F 0.466165 0.8625
259 DA 0.465909 0.878378
260 D5M 0.465909 0.878378
261 GGZ 0.464646 0.825
262 SAH 0.463158 0.74359
263 SAI 0.463158 0.734177
264 NAJ PYZ 0.46281 0.85
265 FAY 0.462687 0.8625
266 Y3J 0.4625 0.726027
267 PO4 PO4 A A A A PO4 0.460784 0.902778
268 AAM 0.460674 0.971429
269 RFL 0.459259 0.821429
270 SMM 0.459184 0.686047
271 AMZ 0.458824 0.916667
272 C2R 0.458824 0.90411
273 SAM 0.458333 0.690476
274 A3S 0.456522 0.810811
275 FNK 0.455224 0.804598
276 7C5 0.453704 0.818182
277 AAT 0.453608 0.707317
278 EEM 0.453608 0.690476
279 XNP 0.452991 0.873418
280 AIR 0.451219 0.901408
281 62X 0.45098 0.666667
282 GSP 0.45 0.873418
283 ETB 0.45 0.833333
284 DCA 0.45 0.823529
285 U A G G 0.449153 0.883117
286 NIA 0.448276 0.822785
287 AMP NAD 0.447154 0.881579
288 A3T 0.446809 0.821918
289 K15 0.446602 0.682353
290 A A A 0.446602 0.905405
291 PUA 0.446281 0.884615
292 6K6 0.445545 0.930556
293 GEK 0.445545 0.7375
294 4YB 0.445455 0.761364
295 S7M 0.444444 0.690476
296 DG1 0.443548 0.921053
297 1DG 0.443548 0.921053
298 Z5A 0.443548 0.77907
299 COA 0.442623 0.823529
300 0T1 0.442623 0.823529
301 WSA 0.442478 0.788235
302 8BR 0.43956 0.906667
303 101 0.438202 0.878378
304 IDP 0.4375 0.918919
305 NAP 0.435484 0.945205
306 APU 0.434783 0.894737
307 A U 0.434783 0.87013
308 7RP 0.433333 0.928571
309 A6D 0.432692 0.722892
310 CAO 0.432 0.795455
311 AMX 0.432 0.833333
312 COS 0.432 0.804598
313 TAP 0.432 0.907895
314 J7V 0.432 0.833333
315 30N 0.432 0.752688
316 V1N 0.431193 0.917808
317 649 0.429825 0.744444
318 P5F 0.429577 0.823529
319 NA0 0.428571 0.932432
320 CMX 0.428571 0.823529
321 7RA 0.428571 0.957747
322 SCO 0.428571 0.823529
323 0UM 0.427184 0.698795
324 GAV 0.427184 0.884615
325 ACK 0.426966 0.861111
326 1RB 0.426966 0.885714
327 QQY 0.426966 0.815789
328 GCP 0.425743 0.896104
329 G1R 0.425743 0.907895
330 FAM 0.425197 0.804598
331 FCX 0.425197 0.795455
332 ACO 0.425197 0.795455
333 GNH 0.424242 0.907895
334 F2N 0.423611 0.813953
335 GDC 0.422018 0.884615
336 GDD 0.422018 0.884615
337 GKE 0.422018 0.884615
338 HAX 0.421875 0.804598
339 3AD 0.421687 0.805556
340 GNP 0.421569 0.896104
341 FA9 0.42069 0.864198
342 KB1 0.420561 0.698795
343 TM1 0.420561 0.77381
344 H6Y 0.42 0.945205
345 2MC 0.419847 0.769231
346 3KK 0.418605 0.804598
347 FYN 0.418605 0.823529
348 S8M 0.417476 0.759494
349 2VA 0.416667 0.8
350 NHD 0.416667 0.905405
351 26A 0.416667 0.763158
352 QQX 0.41573 0.805195
353 SOP 0.415385 0.804598
354 OXK 0.415385 0.804598
355 COK 0.415385 0.804598
356 MCD 0.415385 0.804598
357 CA6 0.415385 0.729167
358 YE1 0.413534 0.813953
359 FAI 0.413043 0.916667
360 AS 0.413043 0.833333
361 RMB 0.413043 0.873239
362 1VU 0.412214 0.795455
363 CO6 0.412214 0.804598
364 CMC 0.412214 0.804598
365 NMX 0.412214 0.76087
366 SXZ 0.411215 0.710843
367 ANZ 0.410714 0.8
368 SCA 0.410448 0.804598
369 PLP AAD 0.409836 0.741573
370 SCD 0.409091 0.823529
371 CAJ 0.409091 0.804598
372 NAD BBN 0.408759 0.841463
373 NVA 2AD 0.408163 0.74359
374 D3Y 0.407767 0.789474
375 CC5 0.407407 0.816901
376 U G A 0.407407 0.839506
377 KH3 0.40708 0.674419
378 SLU 0.406504 0.770115
379 G 0.40625 0.906667
380 5GP 0.40625 0.906667
381 BCO 0.406015 0.804598
382 IVC 0.406015 0.813953
383 A1S 0.406015 0.804598
384 MLC 0.406015 0.804598
385 3HC 0.406015 0.813953
386 1HE 0.406015 0.786517
387 GTG 0.405405 0.886076
388 NMN AMP PO4 0.404959 0.87013
389 3D1 0.404762 0.773333
390 3L1 0.404762 0.773333
391 CMP 0.404255 0.901408
392 2BA 0.404255 0.915493
393 SO8 0.40404 0.789474
394 VRT 0.40404 0.769231
395 MCA 0.402985 0.795455
396 CAA 0.402985 0.813953
397 COO 0.402985 0.804598
398 NAD CJ3 0.402878 0.811765
399 G2R 0.401869 0.884615
400 3NZ 0.401869 0.782051
401 ZZB 0.4 0.77381
402 MC4 0.4 0.76087
403 2FA 0.4 0.813333
404 2CP 0.4 0.795455
Ligand no: 2; Ligand: CIT; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 HCA 0.576923 0.884615
3 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GNI; Ligand: ATP; Similar sites found: 331
This union binding pocket(no: 1) in the query (biounit: 3gni.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1RZ1 NAD 0.004047 0.44439 1.86335
2 3B6R CRN 0.001483 0.41583 2.05279
3 2VQD AP2 0.001376 0.42866 2.05656
4 3W0O ADP 0.00132 0.44315 2.6393
5 4QDC ASD 0.0005545 0.42976 2.6393
6 1IA9 ANP 0.0001934 0.4595 2.85714
7 5DMZ ADP 0.000000604 0.58486 3.0137
8 4FWE FAD 0.02526 0.40055 3.08483
9 1Y7P RIP 0.005644 0.43805 3.13901
10 3VPC ADP 0.0004243 0.45236 3.19149
11 2PUL ACP 0.00006425 0.46594 3.22581
12 4AZW ATP 0.005106 0.40454 3.51906
13 1E4E ADP 0.005039 0.40167 3.79009
14 2PYW ADP 0.00007774 0.48143 3.81232
15 3WO0 ALA 0.001198 0.45435 3.81232
16 4RDL FUC GAL NDG FUC 0.003702 0.44857 3.8961
17 4G17 0VN 0.0002826 0.43473 3.93939
18 4I94 ANP 0.0000001124 0.57154 4
19 3V4S ATP 0.005651 0.40448 4.13437
20 3TDV GDP 0.00001481 0.50122 4.24837
21 5W2I ADP 0.006232 0.40604 4.28016
22 5W2I I3P 0.006232 0.40604 4.28016
23 4U98 ACP 0.001432 0.44024 4.37018
24 2CSN CKI 0.000000009087 0.66285 4.3771
25 5VZ0 ADP 0.001819 0.40849 4.39883
26 1GSA ADP 0.0001593 0.47257 4.43038
27 4OCV ANP 0.0007952 0.435 4.48549
28 3ZJX BOG 0.002491 0.45771 4.62725
29 1VA6 P2S 0.01112 0.40936 4.62725
30 1VA6 ADP 0.009348 0.40936 4.62725
31 5MW8 ATP 0.000003058 0.54602 4.69208
32 4XH0 ADP 0.000006719 0.58992 4.88432
33 2V58 LZJ 0.002843 0.4437 4.88432
34 5TDF ADP 0.002596 0.41699 4.98534
35 4R78 AMP 0.003816 0.43891 5.17799
36 5MRH Q9Z 0.00414 0.43715 5.27859
37 2VPQ ANP 0.001891 0.42659 5.27859
38 3R75 BEZ 0.02702 0.40051 5.27859
39 2BKK ADP 0.00243 0.40627 5.30303
40 5W4W 9WG 0.00003464 0.51458 5.43807
41 4KBA 1QM 0.0004239 0.4139 5.43807
42 5T96 79J 0.02206 0.40899 5.55556
43 3WVR AMP 0.001846 0.40716 5.57185
44 4BTK DTQ 0.00001093 0.5034 5.63798
45 4GUS FAD 0.01842 0.40781 5.64516
46 4HSU FAD 0.02113 0.40501 5.64516
47 1I7L ATP 0.002663 0.42196 5.82524
48 5MY8 RXZ 0.000006185 0.53755 6.00522
49 3NZ1 3NY 0.02743 0.40078 6.13027
50 4NFN 2KC 0.0001481 0.45 6.14887
51 4AXD ANP 0.00001624 0.53893 6.15836
52 3UDZ ADP 0.000009195 0.51272 6.15836
53 2IO8 ADP 0.007084 0.40363 6.15836
54 4O1P ANP 0.0000001401 0.57938 6.42674
55 1OX5 1PR 0.00866 0.40574 6.45161
56 3Q60 ATP 0.00000886 0.50206 6.469
57 4LRJ ANP 0.0000009154 0.54057 6.50888
58 1IOW PHY 0.002827 0.43387 6.53595
59 5K2M ADP 0.001678 0.43059 6.59341
60 3LVW GSH 0.01702 0.40097 7.03812
61 2WU6 DKI 0.000000102 0.60921 7.08661
62 4ANW O92 0.004984 0.42033 7.19794
63 1PK8 ATP 0.002005 0.42896 7.33138
64 4OAV ACP 0.000000162 0.56595 7.45501
65 4OCJ NDG 0.001389 0.45144 7.65171
66 3AKK ADP 0.002781 0.41191 7.69231
67 4ZS4 ATP 0.00001099 0.52317 7.81759
68 1AUX AGS 0.002199 0.41131 8.03859
69 1AUA BOG 0.02432 0.40287 8.10811
70 4XMF HSM 0.00005947 0.54794 8.15217
71 4IX4 ADP 0.0003778 0.4524 8.28571
72 3VOT ADP 0.000567 0.41079 8.48329
73 1EHI ADP 0.004052 0.40526 8.5044
74 3PDT ADP 0.0001128 0.45186 8.72727
75 3VPD ANP 0.001999 0.42371 8.8968
76 3Q8G PEE 0.02429 0.40752 9.0625
77 4OUC 5ID 0.00000164 0.52104 9.09091
78 5IQD GNP 0.0001974 0.48846 9.38416
79 5IQD RIO 0.0002114 0.48846 9.38416
80 3RE4 TO1 0.0005753 0.41132 9.68992
81 3X01 AMP 0.0006082 0.48977 9.97067
82 5ML3 DL3 0.01818 0.4007 10.7383
83 5GZ9 ANP 0.000000002542 0.6778 10.8197
84 4FHD EEM 0.01133 0.40442 11.1437
85 4FHD 0TT 0.01133 0.40442 11.1437
86 3M2W L8I 0.000001346 0.51549 11.3111
87 2XG5 EC2 0.0182 0.40343 11.4679
88 4WW7 AMP 0.0001298 0.47424 11.4943
89 1VDC FAD 0.027 0.40238 12.3167
90 5JFS 6K0 0.0000002667 0.62317 12.3377
91 4CC6 L5Y 0.006719 0.42668 12.5786
92 5C4L 4XR 0.00001992 0.52522 12.7726
93 5C4L SIS 0.000118 0.49102 12.7726
94 4IDT T28 0.00000004301 0.59176 12.9213
95 4CYI ATP 0.00002867 0.49975 13.1105
96 2PZI AXX 0.00008306 0.44615 13.1105
97 4CRL C1I 0.000007034 0.43949 13.3676
98 5C03 AGS 0.00000008938 0.62148 13.4503
99 4Q5H ANP 0.0001069 0.48567 13.4615
100 4XYM A12 0.005098 0.40049 13.4897
101 4Y0X ADP 0.000007384 0.49656 13.6
102 4IJP 1EH 0.000001474 0.55426 13.6247
103 5I35 ANP 0.00001083 0.53596 14.0762
104 4X7Q 3YR 0.00000111 0.57319 14.1026
105 4WOV 3SM 0.0000005061 0.61275 14.511
106 4JR7 GNP 0.00000001678 0.61575 14.7059
107 2HGS ADP 0.00164 0.42923 14.956
108 3VHE 42Q 0.000001597 0.57172 15.3203
109 3LQV ADE 0.004961 0.44492 15.3846
110 3OFM 4B0 0.000004863 0.49217 15.4286
111 4ASE AV9 0.00002475 0.51552 15.864
112 5X8I SQZ 0.0000003193 0.59708 16.185
113 3PE2 E1B 0.000002817 0.5837 16.6172
114 4AG8 AXI 0.00000232 0.44226 17.4051
115 5AWM ANP 0.0000001973 0.64171 17.4807
116 3TTI KBI 0.00000002286 0.56019 17.4807
117 4WHZ 3NL 0.000002091 0.40373 17.6623
118 4N70 2HX 0.000003571 0.58156 17.6829
119 4Y93 746 0.0000001685 0.54763 18.2519
120 4UX9 ANP 0.00000000329 0.66635 18.6813
121 4IZY 1J2 0.000002096 0.54779 18.6992
122 3PTG 932 0.000002919 0.484 18.7328
123 1U59 STU 0.0000004196 0.56063 19.5122
124 5CKW ANP 0.00003402 0.45997 19.5373
125 3HZT J60 0.00002898 0.45444 19.5373
126 4H3P ANP 0.00000000136 0.6596 19.6133
127 3PP0 03Q 0.000001127 0.50816 20.1183
128 3VRY B43 0.0000007391 0.57745 20.3085
129 4YZC STU 0.00000006056 0.64697 20.5656
130 5BVE 4VG 0.0000000165 0.70576 20.7756
131 4FL3 ANP 0.0000000218 0.63482 20.8226
132 4OH4 ANP 0.0000000009799 0.66629 21.021
133 5LPZ ADP 0.000000001312 0.70237 21.0843
134 4WNK 453 0.00000006723 0.63234 21.3368
135 3VPB ADP 0.0003143 0.46378 21.4286
136 5UKL SIX 0.000003392 0.55322 21.5938
137 3PVW QRX 0.0000005226 0.58637 22.108
138 1Y57 MPZ 0.00000008783 0.61198 22.365
139 2H8H H8H 0.00000004848 0.59641 22.6221
140 3KRL KRL 0.000003402 0.54152 23.2836
141 2XK9 XK9 0.0000007637 0.59553 23.2919
142 5VC5 96M 0.00000002801 0.64419 23.5294
143 5LPB ADP 0.000000004026 0.58868 23.6486
144 5T8O 76Z 0.0000095 0.52003 23.7822
145 3FHR P4O 0.00001269 0.50837 23.8095
146 2R5T ANP 0.00000006092 0.61583 23.8606
147 3DLS ADP 0.000006634 0.49633 23.8806
148 4P5Z Q7M 0.000001077 0.44483 24.0997
149 3PLS ANP 0.00000004928 0.58872 24.1611
150 4YMJ 4EJ 0.0000001218 0.68175 24.3421
151 1OPK P16 0.0000705 0.42173 24.4216
152 4U0I 0LI 0.00006934 0.50124 24.4444
153 3E7O 35F 0.00009124 0.40747 24.4444
154 4QTB 38Z 0.00000001509 0.65847 24.4737
155 5HES 032 0.000005757 0.5318 24.7557
156 2WQN ADP 0.0000001358 0.63976 24.8387
157 4Y8D 49J 0.000006924 0.53812 25
158 2RIO ADP 0.00000001577 0.60812 25.1928
159 3V8S 0HD 0.0000002581 0.55804 25.1928
160 4YZN 4K5 0.000000002105 0.68131 25.4355
161 4E93 GUI 0.0000001045 0.62828 25.4642
162 1XJD STU 0.0000002994 0.59074 25.5072
163 3KN5 ANP 0.000003525 0.50176 25.5385
164 2F2U M77 0.00000162 0.59742 25.7069
165 4UAL 3FV 0.0000002785 0.56944 25.7069
166 4AT3 LTI 0.00000749 0.45553 25.7525
167 4OTH DRN 0.0000001431 0.5846 25.8065
168 4NW6 2NS 0.00000002262 0.65782 26.0062
169 4BKJ STI 0.001637 0.43277 26.0317
170 3UIM ANP 0.00000001743 0.61563 26.0736
171 4WB7 ATP 0.0000006966 0.46319 26.2211
172 5TO8 7FM 0.00001548 0.54134 26.2411
173 5USZ SKE 0.00000001581 0.56604 26.2976
174 2YAK OSV 0.0000002827 0.60485 26.3158
175 5CEO 50D 0.000004675 0.51885 26.3333
176 2B9F ADP 0.0000003085 0.56538 26.6289
177 3IGO ANP 0.0000007545 0.55461 26.7352
178 4L9I 8PR 0.000003659 0.55722 26.9841
179 3C0G 3AM 0.00000005863 0.657 27.0655
180 3NW7 LGV 0.000007899 0.56298 27.3616
181 5EFQ ADP 0.00000001304 0.62034 27.3775
182 2ZV2 609 0.000001371 0.60093 27.5168
183 5TA6 79D 0.00000347 0.4863 27.6536
184 1K3A ACP 0.0000007459 0.52524 27.7592
185 4DC2 ADE 0.000002538 0.44395 27.7635
186 2HK5 1BM 0.000005448 0.53024 27.7778
187 2OFV 242 0.000003019 0.5687 27.7978
188 5JKG 6LF 0.00002402 0.53123 27.9743
189 2B9H ADP 0.0000007091 0.55954 28.0453
190 2B9I ADP 0.0000004766 0.55752 28.0453
191 2B9J ADP 0.0000004046 0.55163 28.0453
192 3HMO STU 0.0000006719 0.54081 28.0702
193 5BYZ 4WE 0.000002925 0.56209 28.1609
194 4EWH T77 0.0000002479 0.52331 28.3636
195 4CSV STI 0.0001448 0.45352 28.3636
196 2PVN P63 0.000000006408 0.56686 28.4091
197 1Q8Y ADP 0.00000004608 0.61788 28.4182
198 1Q8Y ADE 0.000001156 0.49448 28.4182
199 5NKB 8ZT 0.00000228 0.41898 28.7582
200 4WB6 ATP 0.00000007589 0.62279 29.1429
201 2X2M X2M 0.0000002596 0.58906 29.2994
202 4F9C 0SX 0.0000002451 0.56061 29.3629
203 2QCS ANP 0.00000003496 0.63742 29.4286
204 3LXN MI1 0.000000001971 0.67576 29.5597
205 3ORK AGS 0.0000002122 0.60089 29.582
206 1RE8 BD2 0.0000001058 0.64964 29.7143
207 3FHI ANP 0.00000008051 0.62167 29.7143
208 3IDB ANP 0.0000002288 0.59419 29.7143
209 5LVP ATP 0.00000001018 0.58972 29.9035
210 2WEL K88 0.000007712 0.43845 29.9694
211 5HX8 66P 0.00000001315 0.57831 30.1325
212 2XVD AS6 0.000001145 0.57599 30.1325
213 4FG8 ATP 0.0000002669 0.58563 30.1587
214 5VCV 1N1 0.0000001558 0.55846 30.2251
215 3G5D 1N1 0.000001168 0.61173 30.4196
216 4Y85 499 0.000007579 0.50496 30.4217
217 3GC8 B45 0.000000403 0.58093 30.5405
218 3LXK MI1 0.00000009207 0.62162 30.581
219 4FF8 14S 0.00006955 0.4413 30.6502
220 4H3Q ANP 0.000000002838 0.67576 30.663
221 3RI1 3RH 0.000001244 0.56999 30.6709
222 5HVJ ANP 0.00000006941 0.70076 30.7937
223 5MJA 7O3 0.00001377 0.48201 30.8197
224 3C1X CKK 0.0002239 0.46417 30.8311
225 2GU8 796 0.00000009528 0.66314 30.8605
226 3TXO 07U 0.000004607 0.50357 30.8782
227 5H2U 1N1 0.00001875 0.51902 31.0861
228 5HCY 60D 0.0000007922 0.60627 31.1178
229 5UR1 YY9 0.000005379 0.56661 31.1897
230 4C2V YJA 0.0000016 0.57168 31.2281
231 5DA3 58V 0.00000004281 0.67385 31.3208
232 4NST ADP 0.00000001408 0.61876 31.339
233 4GJ3 0XP 0.0000000908 0.62883 31.457
234 3TKI S25 0.0000005839 0.62346 31.5789
235 2JLD AG1 0.000000292 0.61046 31.6195
236 4EUU BX7 0.0000005141 0.58668 31.6614
237 2HY0 306 0.000007635 0.55704 31.677
238 1ZY5 ANP 0.00002728 0.48131 31.6832
239 5FBN 5WF 0.000000341 0.60939 31.7343
240 4C2W ANP 0.00000001398 0.57006 31.8996
241 4E1Z 0MX 0.000001229 0.53705 31.9588
242 4K33 ACP 0.0000001271 0.59037 32
243 3BU5 ATP 0.00000001779 0.61415 32.0261
244 5UOX 8GY 0.000000253 0.5744 32.1033
245 2Z7R STU 0.000000004476 0.64591 32.3988
246 2V7O DRN 0.0000007455 0.50001 32.4405
247 4XV1 904 0.000004792 0.55625 32.5342
248 2VN9 GVD 0.0000002054 0.51363 32.5581
249 3EKK GS2 0.0000002144 0.46696 32.5733
250 5L8L ADP 0.00000001188 0.70083 32.6316
251 5G1X ADP 0.00000001869 0.66062 32.6316
252 4CLI 5P8 0.0000008869 0.60402 32.7217
253 5LI1 ANP 0.00000001309 0.64424 32.7684
254 5LXM ADP 0.000000006879 0.68021 32.8622
255 4NM5 ADP 0.000009911 0.5003 32.8912
256 5N87 N66 0.0000001408 0.62855 32.9073
257 3ZRM ZRM 0.00008127 0.4687 33.1536
258 3KRR DQX 0.0000002354 0.6529 33.2203
259 4A4X JUP 0.000001953 0.56148 33.3333
260 5LI9 ACP 0.0000004863 0.58164 33.4286
261 5HQ0 LZ9 0.0000001846 0.5924 33.4437
262 5JGA 6KC 0.0000003282 0.48659 33.6508
263 3SXF BK5 0.00001291 0.53872 33.6761
264 5EYK 5U5 0.000001035 0.57573 33.6957
265 4D2S DYK 0.000003378 0.49248 33.8028
266 5IH9 6BF 0.000009953 0.54541 34.0299
267 4LOO SB4 0.00002863 0.48598 34.072
268 1OUK 084 0.00003224 0.57304 34.153
269 4CQE CQE 0.0001129 0.47682 34.1727
270 3H9R TAK 0.000002277 0.48121 34.2424
271 4M69 ANP 0.00000005388 0.61501 34.2756
272 5EW9 5VC 0.000009752 0.59921 34.3173
273 5DRB 5FJ 0.000007391 0.40187 34.3643
274 1VJY 460 0.000000001626 0.70863 34.6535
275 3E5A VX6 0.000003544 0.50055 34.7015
276 2PVF ACP 0.00000003461 0.59134 34.7305
277 3MVH WFE 0.0000001818 0.61331 34.7953
278 5EOB 5QQ 0.0000001754 0.64932 34.7962
279 4BFM ANP 0.00000003972 0.62061 35.0299
280 4XLI 1N1 0.00001079 0.53603 35.0746
281 3F7Z 34O 0.000002529 0.52899 35.1429
282 4WNP 3RJ 0.0000001151 0.64316 35.1916
283 1PHK ATP 0.0000000004354 0.69131 35.2349
284 2Y6O 1N1 0.00001257 0.51738 35.3952
285 5LXC 7AA 0.00000007847 0.56801 35.4756
286 2QLU ADE 0.0000001738 0.68837 35.9873
287 5EKO N17 0.0005137 0.45081 36.1186
288 2WEI VGG 0.00002812 0.46951 36.2369
289 1BYG STU 0.0000000004652 0.65176 36.3309
290 4YLL 4E3 0.000000425 0.58269 36.5651
291 3SRV S19 0.00000001331 0.60799 36.8231
292 3GQI ACP 0.00000002073 0.61274 37.1166
293 5UIU 8CG 0.00000003738 0.64358 37.1517
294 5M06 ADP 0.000007782 0.54934 37.3188
295 4F4P 0SB 0.00003506 0.54494 37.3626
296 5U6C 7YS 0.000001745 0.54027 37.4603
297 2BPM 529 0.0000001073 0.43025 38.1877
298 3SXS PP2 0.00000113 0.55913 38.4328
299 3SLS ANP 0.000000001763 0.68128 38.8158
300 4CFU 2WC 0.00000006051 0.57146 38.9439
301 2VZ6 FEF 0.0000006612 0.52073 38.9776
302 3AQV TAK 0.001205 0.42138 39.1304
303 4BCM T7Z 0.0000008978 0.48796 39.2027
304 4BCQ TJF 0.00001052 0.47468 39.2027
305 4BCN T9N 0.0000002897 0.53617 39.3333
306 2XMY CDK 0.000001006 0.62369 39.5973
307 5LMK 6ZK 0.0000005558 0.54036 39.7306
308 3ALN ANP 0.000000003063 0.66767 39.7554
309 2YAB AMP 0.0000002204 0.58062 39.8892
310 5JZJ AN2 0.000000008863 0.61757 40.0673
311 3E8N ATP 0.000000002173 0.72595 40.176
312 3E8N VRA 0.000000002173 0.48074 40.176
313 4JDI ANP 0.0000001025 0.6032 40.4624
314 4AU8 Z3R 0.00001646 0.4672 40.8784
315 1V0O INR 0.0000003437 0.57241 40.9722
316 4BHN BH9 0.0000002199 0.58918 41.018
317 4U44 3D9 0.000002524 0.52901 41.8675
318 2A19 ANP 0.00000008626 0.65912 41.9014
319 2F57 23D 0.000002493 0.51237 41.9558
320 1UNH IXM 0.0000002569 0.53474 42.1233
321 3O0G 3O0 0.000002062 0.52307 42.1233
322 4AUA 4AU 0.00001634 0.49098 42.671
323 4L3L 5FI 0.00001212 0.53293 42.7632
324 5A6N U7E 0.0000004355 0.5685 44.1696
325 5AX9 4KT 0.00000005292 0.59574 45.7792
326 4I6H 1C8 0.000005584 0.54224 45.7792
327 4USF 6UI 0.00002505 0.50915 46.3816
328 5DH3 5BS 0.0000004199 0.57731 46.6667
329 2X4Z X4Z 0.000003565 0.56374 47.2973
330 2J7T 274 0.0003473 0.46871 47.351
331 3GGF GVD 0.00000003223 0.58453 49.1694
332 5DBX ANP 0.0000003103 0.53436 50
333 3CY2 MB9 0.000005565 0.51104 50
Pocket No.: 2; Query (leader) PDB : 3GNI; Ligand: CIT; 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: 3gni.bio1) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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