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Receptor
PDB id Resolution Class Description Source Keywords
3VET 2.2 Å EC: 2.1.3.- CRYSTAL STRUCTURE OF THE O-CARBAMOYLTRANSFERASE TOBZ IN COMP TOBRAMYCIN, CARBAMOYL PHOSPHATE AND ADP STREPTOALLOTEICHUS TENEBRARIUS ANTIBIOTIC BIOSYNTHESIS SUBSTRATE ASSISTED CATALYSIS SUBSTCHANNELING ADENYLATION STRUCTURAL ENZYMOLOGY ENZYME EVOLTRANSFERASE-ANTIBIOTIC COMPLEX
Ref.: THE O-CARBAMOYLTRANSFERASE TOBZ CATALYZES AN ANCIEN ENZYMATIC REACTION. ANGEW.CHEM.INT.ED.ENGL. V. 51 4046 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:601;
A:603;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
CP A:602;
Valid;
none;
submit data
141.02 C H4 N O5 P C(=O)...
EDO A:608;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FE2 A:607;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
K A:606;
Invalid;
none;
submit data
39.098 K [K+]
MN A:605;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
TOY A:604;
Valid;
none;
submit data
467.514 C18 H37 N5 O9 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VET 2.2 Å EC: 2.1.3.- CRYSTAL STRUCTURE OF THE O-CARBAMOYLTRANSFERASE TOBZ IN COMP TOBRAMYCIN, CARBAMOYL PHOSPHATE AND ADP STREPTOALLOTEICHUS TENEBRARIUS ANTIBIOTIC BIOSYNTHESIS SUBSTRATE ASSISTED CATALYSIS SUBSTCHANNELING ADENYLATION STRUCTURAL ENZYMOLOGY ENZYME EVOLTRANSFERASE-ANTIBIOTIC COMPLEX
Ref.: THE O-CARBAMOYLTRANSFERASE TOBZ CATALYZES AN ANCIEN ENZYMATIC REACTION. ANGEW.CHEM.INT.ED.ENGL. V. 51 4046 2012
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3VET - CP C H4 N O5 P C(=O)(N)OP....
2 3VEZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 3VEW - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 3VES - CP C H4 N O5 P C(=O)(N)OP....
5 3VF4 - CP C H4 N O5 P C(=O)(N)OP....
6 3VEX - CA0 C11 H15 N6 O8 P c1nc(c2c(n....
7 3VEO - CP C H4 N O5 P C(=O)(N)OP....
8 3VER - CA0 C11 H15 N6 O8 P c1nc(c2c(n....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3VET - CP C H4 N O5 P C(=O)(N)OP....
2 3VEZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 3VEW - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 3VES - CP C H4 N O5 P C(=O)(N)OP....
5 3VF4 - CP C H4 N O5 P C(=O)(N)OP....
6 3VEX - CA0 C11 H15 N6 O8 P c1nc(c2c(n....
7 3VEO - CP C H4 N O5 P C(=O)(N)OP....
8 3VER - CA0 C11 H15 N6 O8 P c1nc(c2c(n....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3VET - CP C H4 N O5 P C(=O)(N)OP....
2 3VEZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 3VEW - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 3VES - CP C H4 N O5 P C(=O)(N)OP....
5 3VF4 - CP C H4 N O5 P C(=O)(N)OP....
6 3VEX - CA0 C11 H15 N6 O8 P c1nc(c2c(n....
7 3VEO - CP C H4 N O5 P C(=O)(N)OP....
8 3VER - CA0 C11 H15 N6 O8 P c1nc(c2c(n....
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
Ligand no: 2; Ligand: CP; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CP 1 1
2 UVW 0.52381 0.638889
3 PCT 0.409091 0.731707
Ligand no: 3; Ligand: TOY; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 TOY 1 1
2 KAN 0.661765 0.957447
3 9CS 0.642857 0.957447
4 KNC 0.608696 0.93617
5 7QM 0.445783 0.918367
6 AKN 0.42268 0.865385
7 84G 0.42 0.884615
8 7XP 0.419753 0.93617
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VET; Ligand: ADP; Similar sites found with APoc: 134
This union binding pocket(no: 1) in the query (biounit: 3vet.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
1 5OSW DIU 1.21528
2 2QXL ATP 1.5625
3 2Z48 NGA 1.62037
4 2E2P ADP 1.67224
5 2X1L ADN 1.71756
6 4B9Q ATP 1.73611
7 4EIL FOL 1.76678
8 4Y4V DAL 1.76991
9 4ZLU ADP 1.78971
10 2I4O ATP 1.96507
11 4JNE ATP 2.08333
12 5NC1 NAG 2.1097
13 3MN5 ATP 2.22841
14 4RF7 ARG 2.25694
15 2EQA AMP 2.27273
16 4LSJ LSJ 2.32558
17 4GNI ATP 2.44499
18 5LQ8 GB 2.48227
19 4WOE ADP 2.60417
20 1M2Z BOG 2.72374
21 5HTX ADP 2.73349
22 5OCQ CIT 2.80702
23 3GUZ PAF 2.84091
24 4OB6 S2T 2.93255
25 2HIM ASN 3.07263
26 3JDW ORN 3.07329
27 3DZD ADP 3.26087
28 6ASY ATP 3.29861
29 5AR0 GB8 3.29949
30 1XVB BHL 3.41556
31 1PFK ADP 3.4375
32 3CV3 UDP 3.44828
33 5LY3 ADP 3.47222
34 1LK7 DER 3.49345
35 1TUU ADP 3.50877
36 1TUU AMP 3.50877
37 1TUU PIS 3.50877
38 2P1C GG3 3.58974
39 5OBU ANP 3.59168
40 5FPN KYD 3.64583
41 6G3R ADP 3.68421
42 2W41 ADP 3.74753
43 2BUP ATP 3.93701
44 2BUP ADP 3.93701
45 4CJN QNZ 3.99306
46 3QSB 743 4.09836
47 4WCX ALA 4.16667
48 5EOU ATP 4.30108
49 2V7Y ADP 4.3222
50 2JHP GUN 4.34028
51 4WGF HX2 4.39024
52 4JZX 476 4.41989
53 5YSI NCA 4.60526
54 5FPE 3TR 4.65116
55 2D0O ADP 4.8
56 5OBY ANP 4.81283
57 4WBD CIT 4.99076
58 3CIP ATP 5.46875
59 5EXW 7DT 5.5
60 4CBX ATP 5.51181
61 6BR8 6OU 5.55556
62 1LYX PGA 5.64516
63 4MO4 ACP 5.66038
64 6EOF ADP 5.74713
65 3WQT ANP 5.78512
66 4OKS 2T9 5.81897
67 2OG7 AHB 5.88235
68 1SAZ ACP 6.03675
69 1PIG BGC 6.04839
70 4F8L AES 6.2069
71 3QFU ADP 6.34518
72 2QWO ADP 6.52174
73 4BGB ADP 6.76923
74 3LM9 ADP 6.95364
75 1T0S BML 6.97674
76 5H3A D16 7.06714
77 1WK8 VMS 7.2165
78 1LNX URI 7.40741
79 4CBU ATP 7.67196
80 1SQK ADP 7.69231
81 4Z94 ATP 7.69231
82 4PKG ATP 7.69231
83 5YEE ATP 7.69231
84 4PKI ATP 7.69231
85 2PBD ATP 7.69231
86 2V51 ATP 7.69231
87 4B1V ATP 7.71277
88 4B1X ATP 7.71277
89 3U9Z ADP 7.73333
90 2A42 ATP 7.73333
91 2A3Z ATP 7.73333
92 2FF3 ATP 7.73333
93 4PL8 ATP 7.73333
94 1KXP ATP 7.73333
95 2Q97 ATP 7.73333
96 2D1K ATP 7.73333
97 1YAG ATP 7.73333
98 3U4L ATP 7.73333
99 3MN9 ATP 7.75401
100 3MN7 ATP 7.75401
101 3MN6 ATP 7.75401
102 5ZZB ATP 7.81671
103 1TMX HGX 7.84983
104 5YPU ATP 7.88043
105 3LDQ 3P1 7.89474
106 1KDO C 7.92952
107 1UKG MMA 7.93651
108 3ZIA ADP 7.93651
109 1T9M FMN 7.94393
110 3N9R TD3 8.14332
111 3C56 PH4 8.14332
112 1EWY FAD 8.16327
113 5ZBL AMP 8.86699
114 4RW3 SHV 8.9404
115 4EFH ADP 9.09091
116 5LJW ANP 9.2219
117 3SJH ATP 9.25926
118 2ZGY GDP 9.6875
119 2IVN ANP 10
120 1JI0 ATP 10
121 2BS3 CIT 10.5469
122 6DZN AE3 10.6195
123 3ENV ABF 10.6383
124 4K55 H6P 11.2903
125 1YRE COA 11.6751
126 5ZZA ATP 13.2231
127 5VNB ALA THR ALY ALA ALA ARG ALY SER ALA PRO 13.5135
128 4OGQ 7PH 13.9535
129 4EHU ANP 15.5797
130 2A40 ATP 25
131 4B1W ATP 25
132 2FF6 ATP 26.9231
133 2PAV ATP 31.25
134 4YDU ADP 33.5277
Pocket No.: 2; Query (leader) PDB : 3VET; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3vet.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3VET; Ligand: CP; Similar sites found with APoc: 134
This union binding pocket(no: 3) in the query (biounit: 3vet.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
1 5OSW DIU 1.21528
2 2QXL ATP 1.5625
3 2Z48 NGA 1.62037
4 2E2P ADP 1.67224
5 2X1L ADN 1.71756
6 4B9Q ATP 1.73611
7 4EIL FOL 1.76678
8 4Y4V DAL 1.76991
9 4ZLU ADP 1.78971
10 2I4O ATP 1.96507
11 4JNE ATP 2.08333
12 5NC1 NAG 2.1097
13 3MN5 ATP 2.22841
14 4RF7 ARG 2.25694
15 2EQA AMP 2.27273
16 4LSJ LSJ 2.32558
17 4GNI ATP 2.44499
18 5LQ8 GB 2.48227
19 4WOE ADP 2.60417
20 1M2Z BOG 2.72374
21 5HTX ADP 2.73349
22 5OCQ CIT 2.80702
23 3GUZ PAF 2.84091
24 4OB6 S2T 2.93255
25 2HIM ASN 3.07263
26 3JDW ORN 3.07329
27 3DZD ADP 3.26087
28 6ASY ATP 3.29861
29 5AR0 GB8 3.29949
30 1XVB BHL 3.41556
31 1PFK ADP 3.4375
32 3CV3 UDP 3.44828
33 5LY3 ADP 3.47222
34 1LK7 DER 3.49345
35 1TUU ADP 3.50877
36 1TUU AMP 3.50877
37 1TUU PIS 3.50877
38 2P1C GG3 3.58974
39 5OBU ANP 3.59168
40 5FPN KYD 3.64583
41 6G3R ADP 3.68421
42 2W41 ADP 3.74753
43 2BUP ATP 3.93701
44 2BUP ADP 3.93701
45 4CJN QNZ 3.99306
46 3QSB 743 4.09836
47 4WCX ALA 4.16667
48 5EOU ATP 4.30108
49 2V7Y ADP 4.3222
50 2JHP GUN 4.34028
51 4WGF HX2 4.39024
52 4JZX 476 4.41989
53 5YSI NCA 4.60526
54 5FPE 3TR 4.65116
55 2D0O ADP 4.8
56 5OBY ANP 4.81283
57 4WBD CIT 4.99076
58 3CIP ATP 5.46875
59 5EXW 7DT 5.5
60 4CBX ATP 5.51181
61 6BR8 6OU 5.55556
62 1LYX PGA 5.64516
63 4MO4 ACP 5.66038
64 6EOF ADP 5.74713
65 3WQT ANP 5.78512
66 4OKS 2T9 5.81897
67 2OG7 AHB 5.88235
68 1SAZ ACP 6.03675
69 1PIG BGC 6.04839
70 4F8L AES 6.2069
71 3QFU ADP 6.34518
72 2QWO ADP 6.52174
73 4BGB ADP 6.76923
74 3LM9 ADP 6.95364
75 1T0S BML 6.97674
76 5H3A D16 7.06714
77 1WK8 VMS 7.2165
78 1LNX URI 7.40741
79 4CBU ATP 7.67196
80 1SQK ADP 7.69231
81 4Z94 ATP 7.69231
82 4PKG ATP 7.69231
83 5YEE ATP 7.69231
84 4PKI ATP 7.69231
85 2PBD ATP 7.69231
86 2V51 ATP 7.69231
87 4B1V ATP 7.71277
88 4B1X ATP 7.71277
89 3U9Z ADP 7.73333
90 2A42 ATP 7.73333
91 2A3Z ATP 7.73333
92 2FF3 ATP 7.73333
93 4PL8 ATP 7.73333
94 1KXP ATP 7.73333
95 2Q97 ATP 7.73333
96 2D1K ATP 7.73333
97 1YAG ATP 7.73333
98 3U4L ATP 7.73333
99 3MN9 ATP 7.75401
100 3MN7 ATP 7.75401
101 3MN6 ATP 7.75401
102 5ZZB ATP 7.81671
103 1TMX HGX 7.84983
104 5YPU ATP 7.88043
105 3LDQ 3P1 7.89474
106 1KDO C 7.92952
107 1UKG MMA 7.93651
108 3ZIA ADP 7.93651
109 1T9M FMN 7.94393
110 3N9R TD3 8.14332
111 3C56 PH4 8.14332
112 1EWY FAD 8.16327
113 5ZBL AMP 8.86699
114 4RW3 SHV 8.9404
115 4EFH ADP 9.09091
116 5LJW ANP 9.2219
117 3SJH ATP 9.25926
118 2ZGY GDP 9.6875
119 2IVN ANP 10
120 1JI0 ATP 10
121 2BS3 CIT 10.5469
122 6DZN AE3 10.6195
123 3ENV ABF 10.6383
124 4K55 H6P 11.2903
125 1YRE COA 11.6751
126 5ZZA ATP 13.2231
127 5VNB ALA THR ALY ALA ALA ARG ALY SER ALA PRO 13.5135
128 4OGQ 7PH 13.9535
129 4EHU ANP 15.5797
130 2A40 ATP 25
131 4B1W ATP 25
132 2FF6 ATP 26.9231
133 2PAV ATP 31.25
134 4YDU ADP 33.5277
Pocket No.: 4; Query (leader) PDB : 3VET; Ligand: TOY; Similar sites found with APoc: 139
This union binding pocket(no: 4) in the query (biounit: 3vet.bio1) has 59 residues
No: Leader PDB Ligand Sequence Similarity
1 5OSW DIU 1.21528
2 5FJJ MAN 1.21528
3 2QXL ATP 1.5625
4 2E2P ADP 1.67224
5 2HHP FLC 1.69811
6 2X1L ADN 1.71756
7 4B9Q ATP 1.73611
8 4EIL FOL 1.76678
9 4ZLU ADP 1.78971
10 3HIW C2X 1.9305
11 2I4O ATP 1.96507
12 4JNE ATP 2.08333
13 3MN5 ATP 2.22841
14 4RF7 ARG 2.25694
15 2EQA AMP 2.27273
16 4LSJ LSJ 2.32558
17 4U0S ADP 2.32558
18 4GNI ATP 2.44499
19 5LQ8 GB 2.48227
20 1U0J ADP 2.62172
21 1M2Z BOG 2.72374
22 5HTX ADP 2.73349
23 5OCQ CIT 2.80702
24 5GLN XYP XYP XYP 2.90698
25 4OB6 S2T 2.93255
26 2HIM ASN 3.07263
27 3JDW ORN 3.07329
28 6ASY ATP 3.29861
29 5AR0 GB8 3.29949
30 1PFK ADP 3.4375
31 3W9F I3P 3.46154
32 5LY3 ADP 3.47222
33 1LK7 DER 3.49345
34 1TUU ADP 3.50877
35 1TUU AMP 3.50877
36 1TUU PIS 3.50877
37 4A2B AGS 3.57995
38 2P1C GG3 3.58974
39 5OBU ANP 3.59168
40 3SE5 ANP 3.65854
41 6G3R ADP 3.68421
42 2W41 ADP 3.74753
43 2BUP ATP 3.93701
44 2BUP ADP 3.93701
45 3QSB 743 4.09836
46 4WCX ALA 4.16667
47 5EOU ATP 4.30108
48 2V7Y ADP 4.3222
49 2JHP GUN 4.34028
50 3LGS ADE 4.49438
51 5YSI NCA 4.60526
52 1I9Z 2IP 4.61095
53 5FPE 3TR 4.65116
54 2D0O ADP 4.8
55 5OBY ANP 4.81283
56 4WBD CIT 4.99076
57 4X6I 3Y1 5.11628
58 3EUF BAU 5.18293
59 3CIP ATP 5.46875
60 5EXW 7DT 5.5
61 4CBX ATP 5.51181
62 6BR8 6OU 5.55556
63 4MO4 ACP 5.66038
64 6EOF ADP 5.74713
65 3WQT ANP 5.78512
66 2OG7 AHB 5.88235
67 1SAZ ACP 6.03675
68 1PIG BGC 6.04839
69 5GGN LEC 6.09756
70 3QFU ADP 6.34518
71 5TZO 7V7 6.38298
72 2QWO ADP 6.52174
73 2YCH ATP 6.6313
74 4BGB ADP 6.76923
75 3LM9 ADP 6.95364
76 1T0S BML 6.97674
77 5H3A D16 7.06714
78 1WK8 VMS 7.2165
79 1LNX URI 7.40741
80 4CBU ATP 7.67196
81 1SQK ADP 7.69231
82 4Z94 ATP 7.69231
83 4PKG ATP 7.69231
84 4PKI ATP 7.69231
85 5YEE ATP 7.69231
86 2PBD ATP 7.69231
87 2V51 ATP 7.69231
88 4B1X ATP 7.71277
89 4B1V ATP 7.71277
90 4B1V LAB 7.71277
91 3U9Z ADP 7.73333
92 2A3Z ATP 7.73333
93 2A42 ATP 7.73333
94 2FF3 ATP 7.73333
95 4PL8 ATP 7.73333
96 1KXP ATP 7.73333
97 2Q97 ATP 7.73333
98 2D1K ATP 7.73333
99 1YAG ATP 7.73333
100 3U4L ATP 7.73333
101 2FXU ATP 7.73333
102 4H03 ATP 7.73333
103 4H03 LAR 7.73333
104 3MN9 ATP 7.75401
105 3MN7 ATP 7.75401
106 3MN6 ATP 7.75401
107 5ZZB ATP 7.81671
108 1TMX HGX 7.84983
109 2UZH IPE 7.87879
110 5YPU ATP 7.88043
111 3LDQ 3P1 7.89474
112 1KDO C 7.92952
113 3N9R TD3 8.14332
114 3C56 PH4 8.14332
115 1EWY FAD 8.16327
116 5ZBL AMP 8.86699
117 4RW3 SHV 8.9404
118 4EFH ADP 9.09091
119 5LJW ANP 9.2219
120 3SJH ATP 9.25926
121 3SJH LAR 9.25926
122 2ZGY GDP 9.6875
123 2IVN ANP 10
124 4RJD TFP 10.6061
125 6DZN AE3 10.6195
126 3ENV ABF 10.6383
127 1I00 D16 10.6897
128 1I00 UMP 10.6897
129 1YRE COA 11.6751
130 1APZ ASP 12.0567
131 5ZZA ATP 13.2231
132 4EHU ANP 15.5797
133 3SP6 IL2 21.0526
134 4USI ATP 24.026
135 2A40 ATP 25
136 4B1W ATP 25
137 2FF6 ATP 26.9231
138 2PAV ATP 31.25
139 4YDU ADP 33.5277
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