-->
Receptor
PDB id Resolution Class Description Source Keywords
1F52 2.49 Å EC: 6.3.1.2 CRYSTAL STRUCTURE OF GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM CO-CRYSTALLIZED WITH ADP SALMONELLA TYPHIMURIUM GLUTAMINE SYNTHETASE ADP MPD LIGASE
Ref.: THE CRYSTAL STRUCTURE OF PHOSPHINOTHRICIN IN THE ACTIVE SITE OF GLUTAMINE SYNTHETASE ILLUMINATES THE MECHANISM OF ENZYMATIC INHIBITION. BIOCHEMISTRY V. 40 1903 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:4471;
B:4472;
C:4473;
D:4474;
E:4475;
F:4476;
G:4477;
H:4478;
I:4479;
J:4480;
K:4481;
L:4482;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MN A:469;
A:470;
B:469;
B:470;
C:469;
C:470;
D:469;
D:470;
E:469;
E:470;
F:469;
F:470;
G:469;
G:470;
H:469;
H:470;
I:469;
I:470;
J:469;
J:470;
K:469;
K:470;
L:469;
L:470;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
MPD A:5472;
A:5481;
B:5471;
B:5474;
C:5473;
C:5476;
D:5475;
D:5478;
E:5477;
E:5480;
F:5479;
F:5482;
G:5484;
G:5485;
H:5486;
H:5487;
I:5488;
I:5489;
J:5490;
J:5491;
K:5492;
K:5493;
L:5483;
L:5494;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1F52 2.49 Å EC: 6.3.1.2 CRYSTAL STRUCTURE OF GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM CO-CRYSTALLIZED WITH ADP SALMONELLA TYPHIMURIUM GLUTAMINE SYNTHETASE ADP MPD LIGASE
Ref.: THE CRYSTAL STRUCTURE OF PHOSPHINOTHRICIN IN THE ACTIVE SITE OF GLUTAMINE SYNTHETASE ILLUMINATES THE MECHANISM OF ENZYMATIC INHIBITION. BIOCHEMISTRY V. 40 1903 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1F52 - ADP C10 H15 N5 O10 P2 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 3 families.
1 1F52 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1F52 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 3ZXV ic50 = 0.049 uM MXI C23 H24 N4 O CC(C)(C)c1....
3 2WHI - P3S C5 H13 N2 O6 P S C[S@](=NP(....
4 3ZXR ic50 = 0.02 uM IQ1 C21 H20 N4 CC(C)(C)c1....
5 1HTO - CIT C6 H8 O7 C(C(=O)O)C....
6 2BVC - P3S C5 H13 N2 O6 P S C[S@](=NP(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
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 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
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 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1F52; Ligand: ADP; Similar sites found with APoc: 176
This union binding pocket(no: 1) in the query (biounit: 1f52.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1C4Q GLA GAL BGC None
2 4WOE ADP 1.06838
3 4RF7 ARG 1.28205
4 4O12 2QG 1.28205
5 2GVJ DGB 1.28205
6 2Z3U CRR 1.64706
7 3V8S 0HD 1.70732
8 2YAK OSV 1.75439
9 5A6N U7E 1.76678
10 3LVW GSH 1.92308
11 5YB7 ORN 1.92308
12 5YB7 FAD 1.92308
13 4G5H UD7 1.92837
14 5LI1 ANP 1.9774
15 5YJS SAL 2.05128
16 4WHZ 3NL 2.07792
17 5KJW 53C 2.10773
18 1VA6 ADP 2.13675
19 1OX5 1PR 2.13675
20 1VA6 P2S 2.13675
21 6FYL 3NG 2.20386
22 5EW9 5VC 2.21402
23 4L9I 8PR 2.35043
24 1YQC GLV 2.35294
25 2CSN CKI 2.3569
26 5DYO FLU 2.35849
27 1VRP ADP 2.3622
28 3A7R LAQ 2.37389
29 3JU6 ANP 2.43243
30 5DMZ ADP 2.46575
31 5UIU 8CG 2.47678
32 3SAO DBH 2.5
33 5W4W 9WG 2.5641
34 5LI9 ACP 2.57143
35 5MY8 RXZ 2.61097
36 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 2.63158
37 2JDR L20 2.63158
38 5U3B 7TD 2.67559
39 4H3P ANP 2.76243
40 5VC5 96M 2.76817
41 5BVE 4VG 2.77008
42 4WVW SLT 2.77778
43 4CME NAP 2.77778
44 6F9G PUT 2.80374
45 1SDW IYT 2.86624
46 1ZB6 DIN 2.9316
47 1ZB6 GST 2.9316
48 2RAB FAD 3.02376
49 5WL1 D3D 3.0303
50 5WL1 CUY 3.0303
51 5U98 1KX 3.0303
52 3ALN ANP 3.0581
53 2PVN P63 3.125
54 1VKF CIT 3.19149
55 5MRH Q9Z 3.20513
56 4XMF HSM 3.26087
57 3P3Z P3Z 3.36538
58 6E0D XXX 3.40426
59 1RQ5 CTT 3.4188
60 3TTI KBI 3.4188
61 4E1Z 0MX 3.43643
62 4EUU BX7 3.44828
63 3LXN MI1 3.45912
64 6FU4 HSM 3.47826
65 3E8N VRA 3.51906
66 3E8N ATP 3.51906
67 5LVP ATP 3.53698
68 5A5W GUO 3.55731
69 4U60 SIA GAL NGA 3.57143
70 4U60 SIA 3.57143
71 2BW7 ECS 3.65297
72 3WV6 GAL BGC 3.71622
73 2BPM 529 3.77358
74 5X7Q GLC GLC GLC GLC GLC 3.84615
75 5LRT ADP 3.84615
76 5X7Q GLC GLC GLC GLC 3.84615
77 5XLY C2E 3.91459
78 1Y7P RIP 4.03587
79 5JZJ AN2 4.0404
80 1QKQ MAN 4.22535
81 3C0G 3AM 4.2735
82 5HV7 RBL 4.3578
83 4OTH DRN 4.39883
84 2YAB AMP 4.43213
85 2A1L PCW 4.44444
86 3GDN MXN 4.48718
87 5T7I LAT NAG GAL 4.51613
88 4IZY 1J2 4.60705
89 6FA4 D1W 4.62428
90 4FG8 ATP 4.7619
91 4K55 H6P 4.83871
92 2QCS ANP 4.85714
93 1RE8 BD2 4.85714
94 4WB6 ATP 4.85714
95 4F9C 0SX 4.86111
96 3VQ2 LP4 LP5 MYR DAO 4.86111
97 1H3F TYE 4.86111
98 2XIQ MLC 4.91453
99 6A1G 9OL 5
100 1PVN MZP 5.05319
101 3WUC GLC GAL 5.10949
102 3FHI ANP 5.19481
103 4Y24 TD2 5.19481
104 1KQW RTL 5.22388
105 4QYN RTL 5.26316
106 2CJU PHX 5.30973
107 4IAW LIZ 5.31915
108 6BU0 IHP 5.34351
109 5Y72 DST 5.37313
110 5N87 N66 5.43131
111 3TCT 3MI 5.51181
112 4B0T ADP 5.55556
113 3PLS ANP 5.7047
114 2ART LPA AMP 5.72519
115 1OUK 084 5.7377
116 5NLD LBT 5.7554
117 2E5A LAQ 5.76369
118 1Q8Y ADP 5.89812
119 6GNO XDI 5.92593
120 5LJB RTL 5.92593
121 6MPT C30 5.94406
122 4NG2 OHN 5.97826
123 6C7Y ADP 5.98291
124 2CM4 RCL 6
125 3ORK AGS 6.10932
126 2GJ5 VD3 6.17284
127 1REQ DCA 6.19658
128 5HCY 60D 6.34441
129 5UKL SIX 6.45161
130 6D6L FY4 6.47059
131 3E2M E2M 6.48649
132 5XH2 NPO 6.48855
133 2G30 ALA ALA PHE 6.58915
134 6ALW BMJ 6.59722
135 1FDQ HXA 6.87023
136 3UXL CFI 7.04961
137 4NV7 COA 7.05128
138 5NKB 8ZT 7.18954
139 5X8G S0N 7.2165
140 4WO4 JLS 7.24638
141 2BLE 5GP 7.35695
142 2Y88 2ER 7.37705
143 2C6Q NDP 7.40741
144 2C6Q IMP 7.40741
145 1VLH PNS 7.51445
146 1M15 ADP 7.56302
147 1M15 ARG 7.56302
148 3HUJ AGH 7.72358
149 2Z77 HE7 7.91367
150 4AZP A9M 7.97101
151 5F6U 5VK 8.28025
152 4XIZ LPP 8.57143
153 3ZXE PGZ 9.02256
154 5D48 L96 9.21053
155 2XK9 XK9 9.31677
156 3NYQ AMP 9.61539
157 3NYQ MCA 9.61539
158 3OYW TDG 10.4478
159 5TPX 7H7 10.5691
160 3ZJX BOG 11.4187
161 5JNN 6LM 11.5789
162 3H0L ADP 12.766
163 3STK PLM 12.8788
164 3DZ6 PUT 13.4328
165 5Z84 PEK 13.6054
166 1FQJ ALF 14.2857
167 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 14.7541
168 4TW7 37K 14.8438
169 4F7E 0SH 16.3265
170 3G08 FEE 17.1717
171 3QUZ QUV 17.1717
172 5FKP 6UL 17.1717
173 5ML3 DL3 19.4631
174 5HA0 LTD 21.1538
175 4R3U 3KK 21.519
176 4R3U 3HC 21.519
Pocket No.: 2; Query (leader) PDB : 1F52; Ligand: ADP; Similar sites found with APoc: 13
This union binding pocket(no: 2) in the query (biounit: 1f52.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3MVH WFE 2.33918
2 5KD6 6C7 2.38663
3 3LXK MI1 2.44648
4 5HSA FAS 2.5641
5 2JLD AG1 2.85714
6 3E85 BSU 3.79747
7 4J4H 1J1 3.861
8 4J4H NAI 3.861
9 5OCG 9R5 4.2328
10 3QXQ CE5 4.78873
11 4BG4 ADP 7.30337
12 2X34 UQ8 9.39227
13 1PHK ATP 9.73154
Pocket No.: 3; Query (leader) PDB : 1F52; Ligand: ADP; Similar sites found with APoc: 4
This union binding pocket(no: 3) in the query (biounit: 1f52.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5WO4 B7V 3.97351
2 2GU8 796 5.04451
3 5XDT MB3 7.14286
4 3NV3 GAL NAG MAN 7.97101
Pocket No.: 4; Query (leader) PDB : 1F52; Ligand: ADP; Similar sites found with APoc: 8
This union binding pocket(no: 4) in the query (biounit: 1f52.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3IGO ANP 2.13675
2 4QMN DB8 2.25806
3 2E9L OLA 3.20513
4 2E9L PLM 3.20513
5 2E9L BGC 3.20513
6 5XVG 8FX 3.41297
7 1IS3 LAT 5.18518
8 2X32 OTP 9.49721
Pocket No.: 5; Query (leader) PDB : 1F52; Ligand: ADP; Similar sites found with APoc: 1
This union binding pocket(no: 5) in the query (biounit: 1f52.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1QIN GIP 3.27869
Pocket No.: 6; Query (leader) PDB : 1F52; Ligand: ADP; Similar sites found with APoc: 5
This union binding pocket(no: 6) in the query (biounit: 1f52.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5DRB 5FJ 2.06186
2 4YZC STU 3.20988
3 3RWP ABQ 3.53698
4 1S7G NAD 4.34783
5 2GTF P1R 5.55556
Pocket No.: 7; Query (leader) PDB : 1F52; Ligand: ADP; Similar sites found with APoc: 1
This union binding pocket(no: 7) in the query (biounit: 1f52.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2XMY CDK 2.68456
Pocket No.: 8; Query (leader) PDB : 1F52; Ligand: ADP; Similar sites found with APoc: 1
This union binding pocket(no: 8) in the query (biounit: 1f52.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1IGW PYR 2.30415
Pocket No.: 9; Query (leader) PDB : 1F52; Ligand: ADP; Similar sites found with APoc: 2
This union binding pocket(no: 9) in the query (biounit: 1f52.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5GLT BGC GAL NAG GAL 6.33803
2 3VV1 GAL FUC 8.125
Pocket No.: 10; Query (leader) PDB : 1F52; Ligand: ADP; Similar sites found with APoc: 3
This union binding pocket(no: 10) in the query (biounit: 1f52.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2AG4 OLA 9.14634
2 2AG4 LP3 9.14634
3 1W6P NDG GAL 14.9254
Pocket No.: 11; Query (leader) PDB : 1F52; Ligand: ADP; Similar sites found with APoc: 2
This union binding pocket(no: 11) in the query (biounit: 1f52.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3VHE 42Q 4.45682
2 2OQ2 A3P 6.51341
Pocket No.: 12; Query (leader) PDB : 1F52; Ligand: ADP; Similar sites found with APoc: 3
This union binding pocket(no: 12) in the query (biounit: 1f52.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1S4M LUM 3.75427
2 3NW7 LGV 6.84039
3 3WG3 A2G GAL NAG FUC 9.55056
APoc FAQ
Feedback