Receptor
PDB id Resolution Class Description Source Keywords
4CO1 1.5 Å NON-ENZYME: OTHER STRUCTURE OF PII SIGNALING PROTEIN GLNZ FROM AZOSPIRILLUM BRASILENSE IN COMPLEX WITH ADENOSINE DIPHOSPHATE AZOSPIRILLUM BRASILENSE SIGNALING PROTEIN GLNK-LIKE
Ref.: STRUCTURE AND THERMODYNAMICS OF EFFECTOR MOLECULE B TO THE NITROGEN SIGNAL TRANSDUCTION PII PROTEIN GLN AZOSPIRILLUM BRASILENSE. J.MOL.BIOL. V. 426 2783 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP B:113;
A:113;
Valid;
Valid;
none;
none;
Kd = 20 uM
427.201 C10 H15 N5 O10 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CO3 1.05 Å NON-ENZYME: OTHER STRUCTURE OF PII SIGNALING PROTEIN GLNZ FROM AZOSPIRILLUM BRASILENSE IN COMPLEX WITH ADENOSINE TRIPHOSPHATE AZOSPIRILLUM BRASILENSE SIGNALING PROTEIN GLNK-LIKE
Ref.: STRUCTURE AND THERMODYNAMICS OF EFFECTOR MOLECULE B TO THE NITROGEN SIGNAL TRANSDUCTION PII PROTEIN GLN AZOSPIRILLUM BRASILENSE. J.MOL.BIOL. V. 426 2783 2014
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4CO0 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4CO4 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 4CO3 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3MHY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4CO2 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 4CO1 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 4CNZ Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4CO0 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4CO4 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 4CO3 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3MHY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4CO2 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 4CO1 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 4CNZ Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 3TA2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
9 2GNK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 3LF0 Kd = 1.93 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 2J9C - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 5L9N - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 2XBP Kd = 9.6 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 2XZW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 4AFF - FLC C6 H5 O7 C(C(=O)[O-....
16 2XUL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4CO0 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4CO4 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 4CO3 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3MHY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4CO2 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 4CO1 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 4CNZ Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 2O66 - FLC C6 H5 O7 C(C(=O)[O-....
9 2O67 - MLI C3 H2 O4 C(C(=O)[O-....
10 3TA1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 3TA0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 3TA2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 2GNK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 3LF0 Kd = 1.93 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 3NCR - ADP MG n/a n/a
16 3NCQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 4OZL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
18 4OZJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 2J9C - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
20 2J9E - AKG C5 H6 O5 C(CC(=O)O)....
21 4USI ic50 = 1.18 mM AKG C5 H6 O5 C(CC(=O)O)....
22 5L9N - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
23 1V3S - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
24 1V9O - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 2XBP Kd = 9.6 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 2XZW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 4AFF - FLC C6 H5 O7 C(C(=O)[O-....
28 2XUL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CO3; Ligand: ATP; Similar sites found: 197
This union binding pocket(no: 1) in the query (biounit: 4co3.bio1) has 84 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XX4 BAM 0.0001737 0.51368 None
2 1BTN I3P 0.009447 0.48301 None
3 3I8T LBT 0.0009286 0.47682 None
4 1UO4 PIH 0.01126 0.46467 None
5 1UW1 ADP 0.00441 0.45151 None
6 3QDY A2G GAL 0.0105 0.45139 None
7 4B16 NAG 0.02206 0.44808 None
8 1UO5 PIH 0.03026 0.44802 None
9 3MAG 3MA 0.02244 0.44766 None
10 1NU4 MLA 0.007879 0.44521 None
11 3JUC PCA 0.007968 0.44477 None
12 1OGD RIP 0.004808 0.44427 None
13 3KPE TM3 0.008303 0.4441 None
14 2Y7P SAL 0.005208 0.44268 None
15 3QDY CBS 0.01355 0.43939 None
16 2QLX RM4 0.01575 0.43609 None
17 1LYX PGA 0.003817 0.4298 None
18 3UEC ALA ARG TPO LYS 0.02161 0.42912 None
19 3O2K QRP 0.006845 0.42781 None
20 3RK0 AMP 0.00586 0.42634 None
21 3EJ0 11X 0.0143 0.42497 None
22 3QDT A2G GAL 0.03952 0.4211 None
23 1UF5 CDT 0.01037 0.42002 None
24 1ECM TSA 0.01346 0.41933 None
25 3MAG SAH 0.003548 0.41577 None
26 2YCD GTB 0.01187 0.41348 None
27 1MZV AMP 0.01499 0.4131 None
28 2RI1 GLP 0.02657 0.41073 None
29 1QD0 RR6 0.01637 0.4076 None
30 3IWD M2T 0.03062 0.40691 None
31 4FUA PGH 0.002015 0.40526 None
32 4BX7 B4F 0.002217 0.40393 None
33 1CTU ZEB 0.01119 0.40371 None
34 3GFS FMN 0.02309 0.40252 None
35 1UI0 URA 0.04616 0.40252 None
36 1Y2W NAG 0.04132 0.40993 1.78571
37 2F2U M77 0.002665 0.44544 2.67857
38 1FAO 4IP 0.01051 0.4324 2.67857
39 4Q3S X7A 0.0005467 0.42682 2.67857
40 3VCA PRO 0.01391 0.42554 2.67857
41 4E28 9MZ 0.0289 0.4176 2.67857
42 2DWU DGL 0.01638 0.41553 2.67857
43 2RCN GDP 0.02146 0.40636 2.67857
44 4E28 0MZ 0.04511 0.40365 2.67857
45 3E81 SLB 0.04713 0.40274 2.67857
46 1I2L DCS 0.008847 0.40113 2.67857
47 1H8G CHT 0.01904 0.46002 3.15789
48 4B9E FAH 0.0009401 0.49769 3.57143
49 1QDS PGA 0.002316 0.44806 3.57143
50 3K3G MMU 0.02154 0.41667 3.57143
51 2BOI MFU 0.03178 0.40665 3.57143
52 1JN2 SFP 0.002449 0.49736 4.46429
53 4JCA CIT 0.005845 0.48078 4.46429
54 2B7N NTM 0.003278 0.45757 4.46429
55 2BO4 FLC 0.008412 0.44984 4.46429
56 1K6M AGS 0.001529 0.42198 4.46429
57 1ONX ASP 0.000671 0.42061 4.46429
58 2CJZ PTR 0.01508 0.4198 4.46429
59 1TH8 ADP 0.01236 0.41673 4.46429
60 3MD0 GDP 0.02034 0.41134 4.46429
61 4K30 NLG 0.03535 0.40451 4.46429
62 2R5T ANP 0.007673 0.40031 4.46429
63 1A5Z OXM 0.00009229 0.5585 5.35714
64 1A8S PPI 0.0002932 0.48363 5.35714
65 2EB5 OXL 0.009509 0.44123 5.35714
66 1QO0 BMD 0.01607 0.43011 5.35714
67 1JSH SIA GAL 0.001762 0.41981 5.35714
68 1B5E DCM 0.01373 0.41895 5.35714
69 1Y75 NAG 0.02592 0.40664 5.35714
70 4HZO COA 0.03532 0.40453 5.35714
71 3EW2 BTN 0.02945 0.40414 5.35714
72 1WKL ADP 0.00928 0.40354 5.35714
73 4QDC ASD 0.002142 0.40298 5.35714
74 1SS4 GSH 0.001786 0.52803 6.25
75 4M51 BEZ 0.01482 0.44355 6.25
76 1V8K ANP 0.00004519 0.44316 6.25
77 4JEJ 1GP 0.004928 0.42949 6.25
78 3T1A 5MA 0.001956 0.42908 6.25
79 3VGL BGC 0.0002836 0.42589 6.25
80 1C1L GAL BGC 0.02593 0.4251 6.25
81 3CXQ GLP 0.02949 0.41249 6.25
82 4AF5 CIT 0.0378 0.41185 6.25
83 1G6H ADP 0.03898 0.40159 6.25
84 1HQL GLA MBG 0.04504 0.40154 6.25
85 1HYE NAP 0.005119 0.40053 6.25
86 3F81 STT 0.001997 0.49755 7.14286
87 2HVK TBA 0.0007824 0.49395 7.14286
88 4RJK PYR 0.002865 0.48083 7.14286
89 4COQ SAN 0.0114 0.4374 7.14286
90 1GPJ CIT 0.01285 0.43485 7.14286
91 1ZJ6 G3D 0.01029 0.41608 7.14286
92 2AWN ADP 0.02077 0.41469 7.14286
93 2QV7 ADP 0.008384 0.41213 7.14286
94 4DYO SD4 0.01963 0.41203 7.14286
95 1F7K UMP 0.002706 0.4085 7.14286
96 2OAT PFM 0.01322 0.4009 7.14286
97 2Q8H TF4 0.005555 0.47348 8.03571
98 2Q8M AMP 0.002979 0.43864 8.03571
99 2NCD ADP 0.009103 0.43667 8.03571
100 2JFV FLC 0.01251 0.43541 8.03571
101 4NAO AKG 0.01925 0.43167 8.03571
102 1VL1 CIT 0.01451 0.42726 8.03571
103 2Z9V PXM 0.01215 0.42586 8.03571
104 1FNZ A2G 0.002867 0.41238 8.03571
105 1RTF BEN 0.02867 0.41112 8.03571
106 1ML4 PAL 0.005035 0.40852 8.03571
107 1Q3Q ANP 0.0001637 0.40776 8.03571
108 1Q6O LG6 0.01257 0.40513 8.03571
109 2FN1 PYR 0.04964 0.40414 8.03571
110 2OWZ CIT 0.004994 0.4039 8.03571
111 3I8P 840 0.01526 0.40176 8.03571
112 3L6R MLI 0.0004677 0.51292 8.92857
113 4M5P MLA 0.00415 0.48919 8.92857
114 3E5P PPI 0.01269 0.47758 8.92857
115 3LTW HLZ 0.001994 0.47422 8.92857
116 3BY8 MLT 0.003891 0.46669 8.92857
117 3GTD MLI 0.006423 0.44381 8.92857
118 1UOU CMU 0.002038 0.44091 8.92857
119 4AF0 MOA 0.0005667 0.42977 8.92857
120 4UAL 3FV 0.003896 0.42148 8.92857
121 4IEN GDP 0.0004251 0.42048 8.92857
122 4IEE AGS 0.02388 0.40935 8.92857
123 2HNK SAH 0.006166 0.40692 8.92857
124 2O2C G6Q 0.0151 0.40194 8.92857
125 3SHR CMP 0.02894 0.40071 8.92857
126 3B20 NAD 0.003532 0.4002 8.92857
127 2IMP NAI 0.001052 0.40001 8.92857
128 3CH5 GDP 0.003138 0.4377 9.61539
129 3NGU ADP 0.0004797 0.46647 9.82143
130 2YIV YIV 0.005499 0.46606 9.82143
131 3CEV ARG 0.001371 0.4633 9.82143
132 1Y1A GSH 0.02759 0.45738 9.82143
133 1G51 AMP 0.006972 0.44505 9.82143
134 1S2D ADE 0.003467 0.43151 9.82143
135 1FP2 SAH 0.00432 0.42761 9.82143
136 1J2Z SOG 0.003795 0.42384 9.82143
137 2GWD GLU 0.01882 0.41285 9.82143
138 4WB7 ATP 0.0114 0.41228 9.82143
139 3CQ5 PMP 0.02759 0.40542 9.82143
140 1SC3 MLI 0.003815 0.47434 10.7143
141 1A59 COA 0.0007307 0.44521 10.7143
142 3L24 GOA 0.03531 0.42969 10.7143
143 1H0C AOA 0.02862 0.42292 10.7143
144 1B0U ATP 0.01588 0.40107 10.7143
145 3VOZ 04A 0.001929 0.43329 11.6071
146 4E13 NAD 0.00272 0.41653 11.6071
147 1Z41 FMN 0.006915 0.41545 11.6071
148 2CE7 ADP 0.01034 0.41215 11.6071
149 3PLN U5P 0.02813 0.4091 11.6071
150 1V5F FAD 0.003772 0.4067 11.6071
151 1V5F TPP 0.003772 0.4067 11.6071
152 2Q1A 2KT 0.0002251 0.4512 12.5
153 2NVK NAP 0.00358 0.45011 12.5
154 1PX8 XYP 0.01661 0.42433 12.5
155 3PC3 P1T 0.002681 0.41676 12.5
156 2Z5Y HRM 0.0007864 0.41225 12.5
157 3CI3 3PO 0.001288 0.40565 12.5
158 3CI3 5AD 0.001288 0.40565 12.5
159 2ZWS PLM 0.007393 0.48439 13.3929
160 1GJW GLC 0.006652 0.45497 13.3929
161 1O9U ADZ 0.01373 0.45213 13.3929
162 4C2G ALA ALA ALA ALA 0.00973 0.4256 13.3929
163 2C9O ADP 0.0003074 0.41558 13.3929
164 3U1T MLI 0.04978 0.41061 13.3929
165 3I0O ADP 0.02512 0.40338 13.3929
166 3KJQ B94 0.006441 0.42462 13.6842
167 1NXJ GLV 0.0006355 0.47806 14.2857
168 1NXJ TLA 0.0002343 0.47119 14.2857
169 3SQG COM 0.01957 0.45104 14.2857
170 3ZPG 5GP 0.02536 0.43758 14.2857
171 1FWV SGA MAG FUC 0.01491 0.42308 14.2857
172 2ZJ5 ADP 0.03364 0.40976 14.2857
173 2WZ5 MET 0.02131 0.40749 14.2857
174 1H16 DTL 0.01156 0.4562 16.0714
175 1H16 PYR 0.02657 0.43022 16.0714
176 3JQ3 ADP 0.001029 0.46321 16.9643
177 1I0Z OXM 0.01403 0.45162 16.9643
178 1V6A TRE 0.007887 0.43961 16.9643
179 1T10 F6P 0.02096 0.41954 16.9643
180 3NOJ PYR 0.003389 0.45399 17.8571
181 1TV5 A26 0.00007208 0.46856 18.75
182 1TV5 ORO 0.007263 0.41278 18.75
183 1TV5 N8E 0.01065 0.40128 18.75
184 2JBH 5GP 0.001357 0.46349 19.6429
185 1Y42 TYR 0.03096 0.40718 21.4286
186 4MOB COA 0.00006763 0.41629 22.3214
187 1U1J C2F 0.04183 0.40367 22.3214
188 1YBH P22 0.008974 0.42689 24.1071
189 2Y6P CTP 0.02402 0.40422 24.1071
190 2VAR KDF 0.01281 0.41208 25
191 2VAR KDG 0.01651 0.40744 25
192 2VAR ANP 0.005422 0.40574 25
193 4KCT PYR 0.0133 0.41957 25.8929
194 4KCT FDP 0.01542 0.40869 25.8929
195 2IZ1 ATR 0.01614 0.43001 28.5714
196 1G8S MET 0.01003 0.44009 29.4643
197 1W7J ADP BEF 0.0007538 0.44906 30.3571
Pocket No.: 2; Query (leader) PDB : 4CO3; Ligand: ATP; Similar sites found: 85
This union binding pocket(no: 2) in the query (biounit: 4co3.bio2) has 84 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZO9 MLI 0.0003984 0.47634 None
2 4F8L GAL 0.01632 0.46267 None
3 43CA NPO 0.04266 0.43998 None
4 2BS5 BGC GAL FUC 0.00022 0.43808 None
5 1ULE GLA GAL NAG 0.01808 0.43769 None
6 1T0I FMN 0.002877 0.42127 None
7 2HFK E4H 0.01435 0.42121 None
8 4F4S EFO 0.01637 0.41859 None
9 2OFE NAG 0.02713 0.41766 None
10 2BES RES 0.009046 0.41705 None
11 4C81 CDP 0.00387 0.41122 None
12 3BIB PSF 0.02622 0.40968 None
13 1LTH NAD 0.0002294 0.40928 None
14 3W8S GSH 0.04247 0.40366 None
15 3F8C HT1 0.04262 0.40359 None
16 1CKM GTP 0.01699 0.4135 1.78571
17 3A2Y TS5 0.005843 0.41324 2.67857
18 4OB6 S2T 0.00998 0.40774 2.67857
19 4OYA 1VE 0.001483 0.40757 2.67857
20 1WRA PC 0.03489 0.41727 3.57143
21 1QZZ SAM 0.011 0.40968 3.57143
22 1N9L FMN 0.00618 0.4088 3.66972
23 3S9K CIT 0.003817 0.49188 4.46429
24 2GN2 C5P 0.0004513 0.45603 4.46429
25 1PEA ACM 0.01539 0.44136 4.46429
26 1MVQ MMA 0.0003889 0.41388 4.46429
27 3K37 BCZ 0.0006401 0.40768 4.46429
28 4QCK ASD 0.002099 0.40611 4.46429
29 1EYQ NAR 0.005137 0.43647 5.35714
30 1O7N IND 0.001478 0.42095 5.35714
31 1WKL ATP 0.004386 0.4144 5.35714
32 3MMR ABH 0.001306 0.41284 5.35714
33 1CBF SAH 0.009284 0.40898 5.35714
34 4LN7 1ZQ 0.009687 0.40477 5.35714
35 2BH9 NAP 0.01208 0.40445 5.35714
36 2Q37 3AL 0.006709 0.44151 6.25
37 1SS4 CIT 0.01171 0.44101 6.25
38 1EYE PMM 0.01254 0.41111 6.25
39 3VGL ANP 0.0002014 0.405 6.25
40 4DSU BZI 0.04363 0.40424 6.25
41 1B4P GPS 0.009946 0.40102 6.25
42 9LDT OXM 0.04023 0.43189 7.14286
43 4P4T GDP 0.007147 0.40643 7.14286
44 4IMG NGF 0.006191 0.40544 7.14286
45 1T0S BML 0.01747 0.43848 8.03571
46 4KOA NDP 0.003032 0.42421 8.03571
47 1WDA BAG 0.01257 0.41929 8.03571
48 4GLW NMN 0.02393 0.40127 8.03571
49 1Q3P GLU ALA GLN THR ARG LEU 0.03332 0.40047 8.25688
50 4M5P 23W 0.004188 0.47078 8.92857
51 4IEN COA 0.00008867 0.42942 8.92857
52 3P7I P7I 0.0188 0.41584 8.92857
53 1BDB NAD 0.0005237 0.40739 8.92857
54 1NHZ 486 0.005204 0.40184 8.92857
55 4IU0 ABH 0.0003893 0.44118 9.82143
56 1KTC NGA 0.02252 0.41225 9.82143
57 4IHQ ADP 0.02469 0.40628 9.82143
58 1A59 CIT 0.01228 0.4402 10.7143
59 3RO7 TDR 0.0009823 0.41114 10.7143
60 1EB9 HBA 0.01329 0.41007 10.7143
61 1U5R ATP 0.01114 0.40584 10.7143
62 1I1E DM2 0.03266 0.40497 10.7143
63 2QS8 MET 0.000006816 0.40342 10.7143
64 2NZ2 ASP 0.004049 0.44622 11.6071
65 2Q09 DI6 0.03213 0.40118 11.6071
66 2V5E SCR 0.01445 0.45719 11.8812
67 3TKA CTN 0.02273 0.44503 12.5
68 2QCX PF1 0.008942 0.43566 12.5
69 3TKA SAM 0.002396 0.41701 12.5
70 1SQ5 ADP 0.01154 0.41263 12.5
71 3QV9 QV7 0.01397 0.42654 13.3929
72 4G28 0W8 0.02584 0.4054 13.3929
73 4W6Z ETF 0.002466 0.49109 14.2857
74 1MXI SAH 0.002842 0.42147 14.2857
75 1XX6 ADP 0.01025 0.41886 15.1786
76 1IZC PYR 0.002764 0.41145 16.0714
77 3ZZS TRP 0.0004717 0.40043 16.9231
78 2BZ1 TAU 0.01735 0.46109 16.9643
79 3NBK PNS 0.0008194 0.40578 18.75
80 4MOB ADP 0.0006732 0.45163 22.3214
81 1YBH FAD 0.001526 0.40205 24.1071
82 4G4S LDZ 0.009548 0.40501 25
83 4KBF AMP 0.0314 0.40189 27.6786
84 3I51 45C 0.005263 0.42686 28.5714
85 1WNG SAH 0.006734 0.4041 32.1429
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