Receptor
PDB id Resolution Class Description Source Keywords
5VZ0 2 Å EC: 6.4.1.1 CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS PYRUVATE CARBOXYLASE MUTANT IN COMPLEX WITH CYCLIC-DI-AMP LACTOCOCCUS LACTIS BIOTIN-DEPENDENT CARBOXYLASE TIM-BARREL CYCLIC-DI-AMP LIGAS
Ref.: STRUCTURAL AND FUNCTIONAL STUDIES OF PYRUVATE CARBO REGULATION BY CYCLIC DI-AMP IN LACTIC ACID BACTERIA PROC. NATL. ACAD. SCI. V. 114 E7226 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN C:1201;
D:1201;
A:1201;
B:1202;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
ADP D:1202;
A:1202;
B:1203;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:1203;
D:1203;
B:1204;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
2BA B:1201;
C:1202;
Valid;
Valid;
none;
none;
submit data
658.412 C20 H24 N10 O12 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5VZ0 2 Å EC: 6.4.1.1 CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS PYRUVATE CARBOXYLASE MUTANT IN COMPLEX WITH CYCLIC-DI-AMP LACTOCOCCUS LACTIS BIOTIN-DEPENDENT CARBOXYLASE TIM-BARREL CYCLIC-DI-AMP LIGAS
Ref.: STRUCTURAL AND FUNCTIONAL STUDIES OF PYRUVATE CARBO REGULATION BY CYCLIC DI-AMP IN LACTIC ACID BACTERIA PROC. NATL. ACAD. SCI. V. 114 E7226 2017 U.S.A.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5VYZ - 2BA C20 H24 N10 O12 P2 c1nc(c2c(n....
2 5VZ0 - ADP C10 H15 N5 O10 P2 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 3 families.
1 5VYZ - 2BA C20 H24 N10 O12 P2 c1nc(c2c(n....
2 5VZ0 - 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 1 families.
1 2QF7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 3TW6 - BTI C10 H16 N2 O2 S C1[C@H]2[C....
3 4M6V - PYR C3 H4 O3 CC(=O)C(=O....
4 4LOC - BTN C10 H16 N2 O3 S C1[C@H]2[C....
5 5VYZ - 2BA C20 H24 N10 O12 P2 c1nc(c2c(n....
6 5VZ0 - ADP C10 H15 N5 O10 P2 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
Ligand no: 2; Ligand: 2BA; Similar ligands found: 94
No: Ligand ECFP6 Tc MDL keys Tc
1 CMP 1 0.984848
2 2BA 1 1
3 SP1 0.757143 0.915493
4 RP1 0.757143 0.915493
5 1YD 0.727273 0.916667
6 4BW 0.727273 0.916667
7 1SY 0.653061 0.916667
8 1OR 0.635294 0.797468
9 4UR 0.626263 0.916667
10 7CH 0.580247 0.969697
11 6SX 0.573171 0.939394
12 6SZ 0.559524 0.970149
13 N6S 0.535354 0.901408
14 N6R 0.535354 0.901408
15 C2E 0.534091 0.916667
16 35G 0.534091 0.902778
17 PCG 0.534091 0.902778
18 1YC 0.53 0.888889
19 Y3J 0.506667 0.742857
20 5CD 0.5 0.8
21 XYA 0.5 0.814286
22 ACK 0.5 0.884058
23 ADN 0.5 0.814286
24 RAB 0.5 0.814286
25 6SW 0.494382 0.914286
26 5AD 0.493151 0.764706
27 5N5 0.486842 0.788732
28 75G 0.483146 0.878378
29 A4D 0.480519 0.788732
30 M2T 0.475 0.727273
31 MTA 0.469136 0.767123
32 CC5 0.466667 0.838235
33 EP4 0.4625 0.746667
34 DTA 0.45679 0.805556
35 QQX 0.452381 0.824324
36 AMP 0.447059 0.914286
37 A 0.447059 0.914286
38 QQY 0.447059 0.835616
39 3DH 0.440476 0.767123
40 AMP MG 0.436782 0.863014
41 3AM 0.435294 0.9
42 ABM 0.431818 0.888889
43 J7C 0.431818 0.74026
44 A2D 0.431818 0.942857
45 ZAS 0.430233 0.76
46 7D7 0.428571 0.760563
47 S4M 0.426966 0.658824
48 6RE 0.425287 0.730769
49 SRA 0.425287 0.864865
50 3AD 0.425 0.826087
51 2AM 0.423529 0.887324
52 AP2 0.422222 0.878378
53 A12 0.422222 0.878378
54 BA3 0.422222 0.942857
55 MAO 0.422222 0.731707
56 NEC 0.420455 0.716216
57 A3G 0.420455 0.77027
58 DSH 0.420455 0.717949
59 AOC 0.420455 0.791667
60 BEF ADP 0.419355 0.853333
61 SFG 0.419355 0.743243
62 ADP BEF 0.419355 0.853333
63 6JR 0.419048 0.942029
64 B4P 0.417582 0.942857
65 5AS 0.417582 0.752941
66 AP5 0.417582 0.942857
67 ADP 0.417582 0.915493
68 A3N 0.41573 0.756757
69 APC 0.414894 0.878378
70 SON 0.413043 0.878378
71 AN2 0.413043 0.902778
72 EEM 0.412371 0.682927
73 GJV 0.411111 0.721519
74 GGZ 0.41 0.797468
75 OVE 0.409091 0.851351
76 ADP MG 0.408602 0.876712
77 AU1 0.408602 0.890411
78 M33 0.408602 0.902778
79 CA0 0.408602 0.890411
80 ADX 0.408602 0.822785
81 A3P 0.406593 0.942029
82 5X8 0.404255 0.756757
83 50T 0.404255 0.876712
84 ATP 0.404255 0.915493
85 ACP 0.404255 0.890411
86 VO4 ADP 0.40404 0.902778
87 ADP VO4 0.40404 0.902778
88 SAM 0.402062 0.682927
89 0UM 0.401961 0.691358
90 AQP 0.4 0.915493
91 APR 0.4 0.915493
92 PRX 0.4 0.864865
93 AR6 0.4 0.915493
94 5FA 0.4 0.915493
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5VZ0; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5vz0.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5VZ0; Ligand: 2BA; Similar sites found: 27
This union binding pocket(no: 2) in the query (biounit: 5vz0.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3CMC NAD 0.03185 0.43156 2.09581
2 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.03097 0.40165 2.67686
3 3AQT RCO 0.01968 0.40024 2.85714
4 2XZ9 PYR 0.006206 0.41994 3.39506
5 4MRP GSH 0.01732 0.4198 3.58306
6 3OJI PYV 0.01423 0.4104 4.2328
7 4RW3 TDA 0.009827 0.42822 4.30464
8 4RW3 PLM 0.01526 0.41533 4.30464
9 5V4R MGT 0.008907 0.40637 4.93827
10 2VWA PTY 0.01874 0.40829 4.9505
11 1GEG GLC 0.001088 0.46935 5.07812
12 4OMJ 2TX 0.03076 0.40833 5.39568
13 5EP2 AZU 0.01544 0.40863 5.46875
14 4UCC ZKW 0.00583 0.43106 5.5794
15 5JO1 6LM 0.01946 0.40359 5.67164
16 3KO0 TFP 0.01149 0.41245 5.94059
17 4O4Z N2O 0.003653 0.42762 6.49351
18 1PU7 39A 0.02645 0.40544 6.88073
19 1XZ3 ICF 0.007102 0.44569 7.47126
20 3KP6 SAL 0.01867 0.40667 7.94702
21 1XVB BBX 0.02199 0.41283 10.0257
22 1XZC PMB 0.001007 0.48877 12.6168
23 2HQU DUP 0.01335 0.41178 13.4146
24 5T46 MGP 0.00358 0.42761 18.1818
25 4UEC MGT 0.006489 0.41411 25.641
26 5X8Q 82R 0.0256 0.40081 36.3636
27 1H0A I3P 0.01255 0.41181 43.038
Pocket No.: 3; Query (leader) PDB : 5VZ0; Ligand: 2BA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5vz0.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5VZ0; Ligand: ADP; Similar sites found: 342
This union binding pocket(no: 4) in the query (biounit: 5vz0.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DZT AMP 0.0002755 0.49803 1.20846
2 3UDZ ADP 0.0002555 0.47177 1.41988
3 1NP7 FAD 0.01755 0.40269 1.43149
4 4FG8 ATP 0.0001359 0.45347 1.5873
5 4JR7 GNP 0.0000551 0.48684 1.60428
6 2IO8 ADP 0.0004122 0.41812 1.61551
7 5EKO N17 0.0122 0.40153 1.61725
8 4YZC STU 0.0008012 0.47404 1.7284
9 3PP0 03Q 0.00122 0.40529 1.77515
10 3X01 AMP 0.00005026 0.53637 1.78117
11 4Y3O OGA 0.002738 0.445 1.93133
12 5HES 032 0.0003617 0.46932 1.9544
13 4ZS4 ATP 0.0008256 0.43007 1.9544
14 5LXC 7AA 0.0001084 0.47707 1.96078
15 4GQP B40 0.01149 0.40919 2.00803
16 1U5R ATP 0.000502 0.44601 2.01149
17 4O4F ATP 0.0003906 0.41227 2.01613
18 4O4F IHP 0.0004269 0.40569 2.01613
19 4E1Z 0MX 0.0001104 0.44378 2.06186
20 4OCJ NDG 0.001401 0.4636 2.11082
21 4OCV ANP 0.0002158 0.45384 2.11082
22 2PYW ADP 0.0000165 0.49022 2.14286
23 3ZRM ZRM 0.0001036 0.48689 2.15633
24 1Z2P ACP 0.000003914 0.42336 2.16049
25 1Z2P I3S 0.000003914 0.42336 2.16049
26 3PDT ADP 0.002996 0.42377 2.18182
27 4CC6 L5Y 0.001582 0.45151 2.20126
28 5LVP ATP 0.0002188 0.45806 2.2508
29 4IX4 ADP 0.0005195 0.46011 2.28571
30 3F7Z 34O 0.0005054 0.45621 2.28571
31 3BU5 ATP 0.001552 0.43448 2.28758
32 3PE2 E1B 0.0002725 0.50618 2.37389
33 4Y0X ADP 0.000388 0.46403 2.4
34 3VRY B43 0.0007991 0.401 2.42291
35 2H8H H8H 0.005713 0.40058 2.42991
36 3V8S 0HD 0.0002512 0.46725 2.43902
37 4XH0 ADP 0.0004349 0.48656 2.48139
38 4H3Q ANP 0.0001216 0.49294 2.48619
39 4H3P ANP 0.0002475 0.45921 2.48619
40 5FBN 5WF 0.002822 0.44538 2.58303
41 5MY8 RXZ 0.0001807 0.4223 2.61097
42 1OBD ATP 0.0008213 0.45433 2.61438
43 5MJA 7O3 0.0004142 0.45259 2.62295
44 2PZI AXX 0.0001816 0.48476 2.64317
45 4UWH JXM 0.0009338 0.44674 2.66223
46 3FHR P4O 0.003373 0.40497 2.67857
47 2XMY CDK 0.001891 0.4783 2.68456
48 3GC0 AMP 0.0008072 0.45468 2.73556
49 2PUL ACP 0.0002188 0.46991 2.77078
50 1V0O INR 0.0009295 0.42812 2.77778
51 5C4L 4XR 0.002454 0.44432 2.80374
52 5C4L SIS 0.0165 0.4052 2.80374
53 5LI9 ACP 0.0002538 0.45199 2.85714
54 4D52 GXL 0.00659 0.42635 2.85714
55 4D52 GIV 0.00856 0.41942 2.85714
56 4D4U FUC GAL 0.009709 0.41616 2.85714
57 4X7Q 3YR 0.0002378 0.46016 2.88462
58 4JDI ANP 0.0002738 0.44291 2.89017
59 5M06 ADP 0.0005368 0.45764 2.89855
60 3HMO STU 0.0009147 0.4424 2.92398
61 4BTK DTQ 0.002636 0.42421 2.96736
62 4AZT LY2 0.001932 0.44201 2.9877
63 5IGI ZIT 0.005608 0.43458 2.99003
64 5IGI GMP 0.005316 0.43458 2.99003
65 4FL3 ANP 0.00112 0.41478 2.99213
66 2RIO ADP 0.0009196 0.4423 2.99539
67 2ZV2 609 0.0002373 0.48538 3.02013
68 5JZJ AN2 0.0001845 0.47319 3.0303
69 5AWM ANP 0.0001298 0.49785 3.04569
70 5DBX ANP 0.0002429 0.45449 3.04878
71 4IDT T28 0.0008699 0.44337 3.08989
72 2AQX ATP 0.001384 0.41106 3.11419
73 4OAV ACP 0.0005666 0.45161 3.14735
74 4BKJ STI 0.0005052 0.4039 3.1746
75 1JPA ANP 0.0002813 0.4945 3.20513
76 2CFM AMP 0.002912 0.43352 3.20856
77 3GC8 B45 0.001532 0.40738 3.24324
78 5AX9 4KT 0.002553 0.41677 3.24675
79 4XDY HIO 0.01265 0.41612 3.25444
80 4USF 6UI 0.0004547 0.46873 3.28947
81 4BFM ANP 0.0001152 0.45833 3.29341
82 4BHN BH9 0.0003709 0.44119 3.29341
83 5I35 ANP 0.0008748 0.44326 3.30789
84 5LPZ ADP 0.0001067 0.47485 3.31325
85 1CKM GTP 0.01424 0.40477 3.33333
86 5ML3 DL3 0.02268 0.4052 3.3557
87 4L9I 8PR 0.001166 0.43773 3.37302
88 2XZ9 PYR 0.02382 0.40037 3.39506
89 2Y6O 1N1 0.0006446 0.42257 3.43643
90 1U59 STU 0.001115 0.43219 3.48432
91 2X2M X2M 0.001399 0.44265 3.50318
92 4EN4 GT0 0.01746 0.41173 3.52564
93 4EN4 GT1 0.01746 0.41173 3.52564
94 4EN4 ATP 0.01746 0.41173 3.52564
95 2WQN ADP 0.002596 0.43111 3.54839
96 3TDV GDP 0.005431 0.4021 3.59477
97 2YAB AMP 0.0008398 0.43087 3.60111
98 4AZW ATP 0.0003958 0.46544 3.60934
99 4L3L 5FI 0.0001093 0.50633 3.61842
100 1QMG DMV 0.01524 0.4121 3.62595
101 4FAI PBD 0.01645 0.40606 3.63636
102 2WU6 DKI 0.0003181 0.42818 3.67454
103 4K33 ACP 0.0001522 0.48186 3.69231
104 5LPB ADP 0.0001707 0.49219 3.71622
105 1GSA ADP 0.01759 0.44659 3.79747
106 5F90 LMR 0.008537 0.42547 3.84615
107 5F90 GLA GAL 0.01056 0.41851 3.84615
108 5F90 GLA GAL BGC 5VQ 0.01395 0.41062 3.84615
109 4YLL 4E3 0.0003253 0.47345 3.87812
110 3DLS ADP 0.0001838 0.46783 3.8806
111 4CYI ATP 0.0003247 0.46932 3.88128
112 4R78 AMP 0.00005634 0.52228 3.8835
113 2PVF ACP 0.0002033 0.47133 3.89222
114 4KBA 1QM 0.004212 0.43072 3.92749
115 5W4W 9WG 0.0007689 0.40908 3.92749
116 2QK4 ATP 0.0001225 0.4574 3.93357
117 3SLS ANP 0.0002432 0.43733 3.94737
118 2B9F ADP 0.00002582 0.51378 3.96601
119 2B9H ADP 0.00003315 0.51155 3.96601
120 2B9I ADP 0.00004743 0.48972 3.96601
121 4CLI 5P8 0.00186 0.46318 3.97554
122 3GGF GVD 0.0004182 0.46256 3.98671
123 3UIM ANP 0.0006295 0.44195 3.98773
124 3OFM 4B0 0.00003899 0.48651 4
125 4DFU QUE 0.0007433 0.47373 4.03727
126 2Q7D ANP 0.00002828 0.45014 4.04624
127 5UOX 8GY 0.0004564 0.43187 4.05904
128 3BFV ADP 0.008405 0.41156 4.05904
129 4ZGP ADP 0.0003739 0.4596 4.09556
130 5DMZ ADP 0.0005312 0.44558 4.10959
131 3RI1 3RH 0.0001885 0.49005 4.15335
132 5IH9 6BF 0.0004973 0.48266 4.1791
133 5VCV 1N1 0.0009081 0.40569 4.18006
134 4YZN 4K5 0.0007033 0.41612 4.18118
135 3IO3 ADP 0.001278 0.42977 4.31034
136 4FE2 ADP 0.00627 0.41329 4.31373
137 4O1P ANP 0.0003699 0.46224 4.32357
138 3M2W L8I 0.0002783 0.45362 4.34783
139 3PLS ANP 0.000153 0.47679 4.36242
140 4OTH DRN 0.000177 0.4452 4.39883
141 3GNI ATP 0.001819 0.40849 4.39883
142 4XV1 904 0.0001732 0.50164 4.45205
143 3SXS PP2 0.0006071 0.42418 4.47761
144 3KRL KRL 0.001276 0.40907 4.47761
145 2WEI VGG 0.0009914 0.44556 4.52962
146 3G5D 1N1 0.002582 0.46531 4.54545
147 4G17 0VN 0.000737 0.44142 4.54545
148 1RE8 BD2 0.000248 0.50819 4.57143
149 5T8O 76Z 0.0002496 0.445 4.58453
150 5GZ9 ANP 0.000787 0.45594 4.59016
151 4IZY 1J2 0.0003097 0.43838 4.60705
152 1TQP ATP 0.0005377 0.41565 4.60993
153 3AKK ADP 0.0003822 0.44418 4.61538
154 1XJD STU 0.000201 0.4561 4.63768
155 4UX9 ANP 0.00006905 0.46677 4.67033
156 4CQE CQE 0.0003766 0.43017 4.67626
157 3PTG 932 0.002515 0.40478 4.6832
158 3LXN MI1 0.00007324 0.46488 4.71698
159 4WOV 3SM 0.005252 0.41688 4.73186
160 1PK8 ATP 0.0000003298 0.51548 4.73934
161 5COU ATP 0.006928 0.40341 5
162 2V7O DRN 0.0001654 0.45243 5.05952
163 1Q8Y ADP 0.0005873 0.45771 5.09383
164 1Q8Y ADE 0.0001115 0.45446 5.09383
165 2R5T ANP 0.0003107 0.43326 5.09383
166 5UR1 YY9 0.002764 0.44189 5.14469
167 2IF8 ADP 0.0001223 0.51307 5.23416
168 3EZ2 ADP 0.006508 0.42146 5.27638
169 2WBV SIA 0.01304 0.41332 5.29101
170 2Z7R STU 0.00004965 0.46217 5.29595
171 1Q8A HCS 0.009955 0.41918 5.30035
172 3BOF HCS 0.01115 0.4167 5.30035
173 3HAV ATP 0.00006939 0.53037 5.35117
174 3CY2 MB9 0.0002391 0.43271 5.41401
175 2VZ6 FEF 0.002927 0.42869 5.43131
176 1M0W ANP 0.0001798 0.46792 5.49898
177 4NFN 2KC 0.004098 0.41353 5.50162
178 5BV3 M7G 0.003156 0.42278 5.50725
179 4XTR ADP 0.002504 0.4098 5.52995
180 5USZ SKE 0.00006716 0.42714 5.53633
181 3HZT J60 0.0005929 0.46645 5.56745
182 2VN9 GVD 0.000148 0.45072 5.64784
183 3C0G 3AM 0.0003296 0.47275 5.69801
184 5U6C 7YS 0.0003648 0.43157 5.71429
185 4BCN T9N 0.0003187 0.47343 5.72519
186 4BCQ TJF 0.0005004 0.46995 5.72519
187 4CFU 2WC 0.0004358 0.46174 5.72519
188 3GQI ACP 0.001771 0.42305 5.75221
189 4GYI ADP 0.00003062 0.52066 5.79345
190 3LXK MI1 0.00006776 0.42485 5.8104
191 1I7L ATP 0.000001511 0.50363 5.82524
192 5C03 AGS 0.0007657 0.43762 5.84795
193 3DAK ANP 0.0001837 0.47874 5.86207
194 5FI4 5XV 0.008881 0.40946 5.88235
195 2BKK ADP 0.002461 0.43219 5.91716
196 4U98 ACP 0.00006877 0.49217 5.94714
197 5CKW ANP 0.0008432 0.45916 5.9867
198 4Y85 499 0.008149 0.40028 6.0241
199 5HVJ ANP 0.00005866 0.53343 6.03175
200 2QLU ADE 0.000213 0.50322 6.05096
201 4A4X JUP 0.0004782 0.40833 6.09319
202 3TXO 07U 0.00005871 0.48884 6.23229
203 1IYB 5GP 0.01625 0.40195 6.25
204 4XLI 1N1 0.0005096 0.45365 6.34328
205 5MW8 ATP 0.0001399 0.49016 6.36943
206 5TDF ADP 0.0005451 0.45917 6.48148
207 4M6T SAM 0.008025 0.43129 6.55738
208 4YMJ 4EJ 0.00007246 0.52826 6.57895
209 2F57 23D 0.0002016 0.47692 6.62461
210 5CEO 50D 0.0003304 0.46443 6.66667
211 2HK5 1BM 0.0009508 0.44827 6.66667
212 5UIU 8CG 0.0003589 0.4821 6.81115
213 5JFS 6K0 0.002128 0.45713 6.81818
214 3IDB ANP 0.0001544 0.43851 6.8323
215 3SRV S19 0.000958 0.44151 6.85921
216 4BCM T7Z 0.0001733 0.50546 6.87023
217 4WNP 3RJ 0.0002222 0.4807 6.96864
218 5W2I ADP 0.0002936 0.42347 7.00389
219 5W2I I3P 0.0002936 0.42347 7.00389
220 2MAS PIR 0.005703 0.40716 7.00637
221 3ETH ATP 0.000001297 0.58029 7.04225
222 3ORK AGS 0.0006563 0.40694 7.07396
223 3TKI S25 0.002243 0.4667 7.12074
224 3FHI ANP 0.00005296 0.51557 7.14286
225 2HY0 306 0.0005708 0.46167 7.14286
226 4I6H 1C8 0.001028 0.43254 7.14286
227 3C1X CKK 0.001842 0.40403 7.23861
228 2WEL K88 0.00007599 0.44684 7.33333
229 3H9R TAK 0.0003459 0.48378 7.33945
230 3IGO ANP 0.000303 0.4352 7.40741
231 2A19 ANP 0.0003016 0.48042 7.42857
232 5EOB 5QQ 0.001815 0.47214 7.52351
233 4KS7 X4Z 0.0001075 0.44567 7.53425
234 4BLW AMP 0.01124 0.4157 7.61246
235 2PVN P63 0.0001757 0.40815 7.67045
236 5KO1 6UY 0.0002833 0.46494 7.77385
237 2Z49 AMG 0.003224 0.43492 7.87037
238 2Z48 NGA 0.01061 0.41937 7.87037
239 1ZY5 ANP 0.0006853 0.44795 7.92079
240 5G1X ADP 0.0007608 0.44594 7.93651
241 2JKY 5GP 0.00664 0.40807 7.98122
242 4LH7 1X8 0.0009538 0.46967 8.04954
243 5A6N U7E 0.0006555 0.45341 8.12721
244 3V4S ATP 0.0000005938 0.53945 8.26873
245 3V4S ADP 0.000002483 0.43728 8.26873
246 1PHK ATP 0.0006339 0.45407 8.38926
247 4D2S DYK 0.0005006 0.46432 8.4507
248 3FWY ADP 0.007948 0.4028 8.59873
249 3NW7 LGV 0.008942 0.43164 8.79479
250 3ALN ANP 0.002274 0.43864 8.8685
251 1ZP9 ATP 0.000278 0.47059 8.91473
252 1ZTH ADP 0.0001314 0.46058 8.91473
253 4IJP 1EH 0.0003573 0.46745 8.93855
254 5X8I SQZ 0.0003661 0.45247 8.95954
255 1OUK 084 0.003412 0.48223 9.01639
256 1K3A ACP 0.0005997 0.46067 9.0301
257 1W2D ADP 0.0002521 0.48413 9.0566
258 4WW7 AMP 0.0002245 0.47872 9.09091
259 4EUU BX7 0.0002274 0.41546 9.09091
260 4AUA 4AU 0.0009423 0.44183 9.12052
261 4XDZ 40E 0.008796 0.42619 9.32945
262 2CSN CKI 0.01366 0.43042 9.42761
263 1TZD ADP 0.0003864 0.48813 9.45455
264 4CSV STI 0.0008259 0.41035 9.45455
265 3NBC LAT 0.01916 0.40599 9.45946
266 5IQD RIO 0.002722 0.44971 9.5082
267 5IQD GNP 0.002575 0.44971 9.5082
268 2YRX AMP 0.005104 0.43144 9.53437
269 3KN5 ANP 0.0003182 0.4495 9.53846
270 4M69 ANP 0.0004237 0.43444 9.54064
271 5HX8 66P 0.0002613 0.41101 9.60265
272 4C2W ANP 0.0003306 0.44515 9.61539
273 2QCS ANP 0.00006237 0.51228 9.62199
274 3Q60 ATP 0.00345 0.41685 9.7035
275 3VPC ADP 0.0000005084 0.53862 9.92908
276 3TII ANP 0.0000005675 0.61015 10
277 3RE4 TO1 0.0006531 0.46445 10.0775
278 4AU8 Z3R 0.0006781 0.46367 10.1351
279 1UNH IXM 0.0002249 0.48046 10.274
280 3O0G 3O0 0.0005626 0.45175 10.274
281 4QM9 CYS 0.01404 0.40908 10.4046
282 4Q5H ANP 0.0007066 0.44013 10.5263
283 1G3Q ADP 0.01113 0.40167 10.5485
284 2QX0 PH2 0.009375 0.42232 10.6918
285 3I0O ADP 0.00002568 0.53135 10.9145
286 5EFQ ADP 0.0004932 0.44709 11.194
287 4NST ADP 0.0007154 0.44037 11.194
288 5H2U 1N1 0.0027 0.41549 11.236
289 1T36 ADP 0.0001141 0.50197 11.2762
290 5UKL SIX 0.001262 0.45342 11.2903
291 5DA3 58V 0.0004188 0.47363 11.3208
292 4U44 3D9 0.002191 0.4278 11.4458
293 2V73 SIA 0.01736 0.40119 11.5183
294 3AQV TAK 0.0009973 0.44304 11.5942
295 4RDL FUC GAL NDG FUC 0.01254 0.41415 12.3377
296 4LRJ ANP 0.002176 0.42573 12.426
297 3KRR DQX 0.0004483 0.50934 12.5424
298 1UNQ 4IP 0.02276 0.40148 12.8
299 4QTB 38Z 0.0007494 0.46555 12.8947
300 4I94 ANP 0.001147 0.43804 13
301 3W21 AKG 0.01159 0.40897 13.1868
302 2OO8 RAJ 0.001688 0.40385 13.2492
303 3WVR AMP 0.000001687 0.57106 13.4228
304 4LOO SB4 0.001486 0.43532 13.7931
305 3KMW ATP 0.0001895 0.47268 13.9535
306 4OUC 5ID 0.002275 0.42919 14.0056
307 4XYM A12 0.0002707 0.44882 14.3478
308 1BYG STU 0.0005556 0.45696 14.3885
309 3K5I ADP 0.00001045 0.50403 14.6402
310 3K5I AIR 0.0001018 0.41141 14.6402
311 5JKG 6LF 0.007102 0.42963 14.791
312 1IA9 ANP 0.0001462 0.46038 15.3571
313 1EHI ADP 0.00000937 0.50835 15.3846
314 4F9C 0SX 0.00002604 0.51084 16.0665
315 3VPB ADP 0.0000002172 0.52424 16.0714
316 1CM8 ANP 0.0004429 0.45635 16.0763
317 3VPD ANP 0.002811 0.45827 17.4377
318 3VOT ADP 0.00001165 0.54768 17.8824
319 1IOW ADP 0.000004545 0.42919 17.9739
320 1IOW PHY 0.000004545 0.42919 17.9739
321 3N1S 5GP 0.003089 0.4087 18.4874
322 5L8L ADP 0.0003836 0.47545 18.8034
323 5HQ0 LZ9 0.0003143 0.44064 19.0476
324 5C1P ADP 0.0000003957 0.60834 19.281
325 5C1P DAL DAL 0.000001607 0.49465 19.281
326 3ORQ ADP 0.00000002672 0.60102 19.6286
327 2YW2 ATP 0.0003022 0.44177 20.9906
328 4BXF AKG 0.01081 0.4171 21.0526
329 4Y8D 49J 0.0002049 0.46305 21.4286
330 4DC2 ADE 0.00003 0.44443 21.4286
331 4B1L FRU 0.0082 0.40544 23.0303
332 2B9J ADP 0.00003575 0.50474 23.0769
333 5K2M ADP 0.0000003136 0.61369 24.9084
334 5KEW 6SB 0.01267 0.41315 27.6596
335 3E5A VX6 0.001091 0.40055 29.5455
336 5LI1 ANP 0.0001091 0.45227 30
337 5LXM ADP 0.001166 0.43773 31.5789
338 4OH4 ANP 0.0004182 0.44968 33.3333
339 3LQV ADE 0.01227 0.41319 35.8974
340 4NM5 ADP 0.0000921 0.44649 37.5
341 5LXT ACP 0.0000002767 0.54414 39.8601
342 4WB6 ATP 0.00006207 0.43359 40
Pocket No.: 5; Query (leader) PDB : 5VZ0; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5vz0.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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