Receptor
PDB id Resolution Class Description Source Keywords
3H0L 2.3 Å EC: 6.3.5.- STRUCTURE OF TRNA-DEPENDENT AMIDOTRANSFERASE GATCAB FROM AQUIFEX AEOLICUS AQUIFEX AEOLICUS MULTI PROTEIN COMPLEX LIGASE PROTEIN BIOSYNTHESIS
Ref.: INSIGHTS INTO TRNA-DEPENDENT AMIDOTRANSFERASE EVOLUTION AND CATALYSIS FROM THE STRUCTURE OF THE AQUIFEX AEOLICUS ENZYME J.MOL.BIOL. V. 391 703 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP B:701;
E:702;
H:703;
K:704;
N:705;
Q:706;
T:707;
W:708;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
ASN A:901;
D:902;
G:903;
J:904;
M:905;
P:906;
S:907;
V:908;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
132.118 C4 H8 N2 O3 C([C@...
MG B:801;
E:802;
H:803;
K:804;
N:805;
Q:806;
T:807;
W:808;
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;
submit data
24.305 Mg [Mg+2...
ZN B:901;
E:902;
H:903;
K:904;
N:905;
Q:906;
T:907;
W:908;
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;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3H0L 2.3 Å EC: 6.3.5.- STRUCTURE OF TRNA-DEPENDENT AMIDOTRANSFERASE GATCAB FROM AQUIFEX AEOLICUS AQUIFEX AEOLICUS MULTI PROTEIN COMPLEX LIGASE PROTEIN BIOSYNTHESIS
Ref.: INSIGHTS INTO TRNA-DEPENDENT AMIDOTRANSFERASE EVOLUTION AND CATALYSIS FROM THE STRUCTURE OF THE AQUIFEX AEOLICUS ENZYME J.MOL.BIOL. V. 391 703 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3H0L - 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 1 families.
1 3H0L - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3H0L - 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3H0L; Ligand: ADP; Similar sites found: 199
This union binding pocket(no: 1) in the query (biounit: 3h0l.bio7) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2RCU BUJ 0.02676 0.42822 3.55649
2 5H9Y BGC BGC BGC BGC 0.002809 0.43703 4.25532
3 2G30 ALA ALA PHE 0.00002377 0.49552 4.26357
4 2QHV OC9 0.001237 0.44624 4.28571
5 3L8H FX1 0.0354 0.40075 4.46927
6 2QHS OCA 0.001422 0.43299 4.64135
7 1VRP ADP 0.005957 0.42115 4.72441
8 3QXV MTX 0.01442 0.40244 4.7619
9 1Y42 TYR 0.004715 0.42371 4.84694
10 3E5H GNP 0.01896 0.41043 5.05618
11 1RYD GLC 0.00297 0.44309 5.16796
12 4GCZ FMN 0.01401 0.40895 5.31915
13 5J75 6GQ 0.01351 0.40589 5.31915
14 3F81 STT 0.004914 0.42521 5.46448
15 2RDE C2E 0.003159 0.43215 5.57769
16 2C91 NAP 0.01488 0.42717 5.6213
17 2YKL NLD 0.002056 0.41633 5.85774
18 1W6P NDG GAL 0.007212 0.40585 5.97015
19 1UYY BGC BGC 0.001716 0.44518 6.10687
20 1GVE NAP 0.01456 0.42656 6.11621
21 1U6R ADP 0.004539 0.43124 6.31579
22 5UIU 8CG 0.00187 0.4706 6.38298
23 2XIQ MLC 0.007322 0.43722 6.38298
24 3P2H NOO 0.003927 0.43434 6.38298
25 3ACL 3F1 0.006541 0.42135 6.38298
26 1IHU AF3 0.02151 0.40307 6.38298
27 1IHU ADP 0.02311 0.40307 6.38298
28 5DYO FLU 0.000529 0.43111 6.60377
29 2ZX2 RAM 0.009188 0.41231 6.66667
30 1WNG SAH 0.01758 0.40581 6.79245
31 1NB9 ADP 0.01875 0.42495 6.80272
32 1NB9 RBF 0.01875 0.42495 6.80272
33 3JQ3 ADP 0.000948 0.44064 6.8306
34 2IMP NAI 0.03706 0.40815 7.32218
35 1M15 ADP 0.006141 0.44622 7.44681
36 1M15 ARG 0.006141 0.44622 7.44681
37 5C5H 4YB 0.008919 0.43006 7.44681
38 3GDN FAD 0.02718 0.42088 7.44681
39 3GDN HBX 0.03525 0.42088 7.44681
40 4RLQ 3SK 0.006811 0.41589 7.44681
41 4B2D FBP 0.01189 0.40861 7.44681
42 2BJK NAD 0.038 0.40558 7.44681
43 2VJJ RAM GLC GAL NAG NAG GLC 0.0377 0.40365 7.44681
44 1LSH PLD 0.005293 0.44449 7.53138
45 4TW7 37K 0.01115 0.42368 7.8125
46 2QIA U20 0.00623 0.44706 8.01527
47 4RT1 C2E 0.0001764 0.44375 8.03571
48 2Y6Q I7T 0.01052 0.44661 8.0402
49 4XV1 904 0.005907 0.44589 8.21918
50 5TVF CGQ 0.001808 0.41825 8.23529
51 2XG5 EC5 0.001768 0.4476 8.25688
52 2XG5 EC2 0.001768 0.4476 8.25688
53 2WQ4 SFU 0.01144 0.4004 8.33333
54 4NAE 1GP 0.003423 0.43173 8.44444
55 1REQ DCA 0.001742 0.48507 8.51064
56 3KRR DQX 0.01162 0.45311 8.51064
57 3OV6 MK0 0.006162 0.44241 8.51064
58 5FLJ QUE 0.008818 0.42254 8.51064
59 4HIA FMN 0.01992 0.42047 8.51064
60 5F7U GLC GLC 0.009583 0.41273 8.51064
61 4J75 TYM 0.02681 0.40674 8.51064
62 3ATY FMN 0.02997 0.40024 8.51064
63 2YBQ UP2 0.03622 0.40868 8.90411
64 2YBQ SAH 0.01724 0.40622 8.90411
65 5BW4 SAM 0.01855 0.4079 8.98876
66 4IZC 1GZ 0.02108 0.41698 9.09091
67 3CBC DBS 0.0007589 0.41226 9.09091
68 5MRH Q9Z 0.0009038 0.45271 9.20502
69 2XVD AS6 0.01701 0.41698 9.27152
70 1G51 AMO 0.01894 0.41325 9.41423
71 4B0T ADP 0.00000003347 0.70205 9.57447
72 3DZ6 M8E 0.0002786 0.49319 9.57447
73 4WCX ALA 0.0003306 0.48968 9.57447
74 2E0N SAH 0.001131 0.46093 9.57447
75 4BLW SAH 0.02195 0.40858 9.57447
76 4O4K 2PK 0.02386 0.40388 9.57447
77 2P1M IHP 0.02744 0.40359 9.57447
78 2GVC FAD 0.04207 0.40218 9.57447
79 2J3M PRI 0.00434 0.44141 9.62343
80 2J3M ATP 0.005246 0.43559 9.62343
81 1BC5 ACE ASN TRP GLU THR PHE 0.004015 0.42193 9.66543
82 4FJU GLV 0.04156 0.40031 9.68661
83 4FJU NAI 0.03956 0.40031 9.68661
84 1I7M CG 0.001016 0.4503 9.73783
85 5XDT MB3 0.004163 0.45506 9.74026
86 5XDT ZI7 0.006238 0.43802 9.74026
87 5ACM MBT 0.002975 0.40184 9.90991
88 3LKJ LKJ 0.02418 0.4127 9.92908
89 4LH0 GLV 0.04229 0.40507 10.0418
90 3FW4 CAQ 0.0131 0.41863 10.1124
91 2VDF OCT 0.00132 0.4222 10.2767
92 5L2J 70E 0.0002626 0.54754 10.3333
93 5L2J 6UL 0.0002462 0.54754 10.3333
94 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 0.0204 0.41658 10.5263
95 3KYG 5GP 5GP 0.001829 0.40616 10.5727
96 1KYQ NAD 0.01374 0.40938 10.5839
97 5KJW 53C 0.002067 0.44325 10.6383
98 2Z48 NGA 0.00512 0.4208 10.6383
99 3ESS 18N 0.007581 0.41535 10.6383
100 5H2U 1N1 0.0006518 0.41283 10.6383
101 1CBF SAH 0.01502 0.40363 10.6383
102 4ASE AV9 0.02916 0.40356 10.6383
103 1XX4 BAM 0.01997 0.40221 10.6383
104 5GM9 CBK 0.01973 0.41614 10.7981
105 4HVA 4HV 0.03533 0.40049 10.9434
106 4DS0 A2G GAL NAG FUC 0.01851 0.40369 11.0429
107 3JU6 ANP 0.002818 0.42237 11.0811
108 2F6U CIT 0.007376 0.4142 11.1111
109 4XMF HSM 0.004489 0.41574 11.413
110 1ERB ETR 0.007247 0.43469 11.4754
111 1N07 FMN 0.008047 0.43889 11.6564
112 1Y7P RIP 0.0007051 0.43346 11.6592
113 3LVW GSH 0.00007467 0.54919 11.7021
114 3G5D 1N1 0.00215 0.48835 11.7021
115 4WOE ADP 0.0004189 0.47997 11.7021
116 3SXF BK5 0.005313 0.44952 11.7021
117 4WB6 ATP 0.00589 0.43783 11.7021
118 4BFM ANP 0.005187 0.43228 11.7021
119 3SAO DBH 0.0002643 0.41879 11.7021
120 4CS4 AXZ 0.03845 0.4135 11.7021
121 4CS4 ANP 0.03071 0.4135 11.7021
122 1WUB OTP 0.03909 0.41144 11.7978
123 3G08 FEE 0.01433 0.4432 12.1212
124 1KGI T4A 0.01307 0.41717 12.5984
125 1F52 ADP 0.00007156 0.51147 12.766
126 4DSU BZI 0.0003637 0.43858 12.766
127 4ANW O92 0.009543 0.43381 12.766
128 5A6N U7E 0.014 0.40897 12.766
129 3C2O NTM 0.03292 0.40082 12.766
130 5IQD GNP 0.04138 0.4046 12.7869
131 5IQD RIO 0.04314 0.4046 12.7869
132 5DJT FMN 0.01302 0.41053 13.1148
133 2OFV 242 0.02868 0.41208 13.3574
134 4NG2 OHN 0.009863 0.42491 13.587
135 3R96 ACO 0.01523 0.42876 13.8298
136 3R96 AMP 0.01523 0.42876 13.8298
137 3VKX T3 0.007024 0.41036 13.8298
138 4K55 H6P 0.0007463 0.40414 13.8298
139 1NCQ W11 0.01756 0.40407 13.8298
140 4ZTD ALA GLY ALA GLY ALA 0.0151 0.40266 13.8298
141 3ZJX BOG 0.01598 0.40227 13.8298
142 4DQL FAD 0.03015 0.40011 13.8298
143 2J9D ADP 0.02151 0.40306 14.2857
144 3ENG CBI 0.01252 0.40088 14.554
145 2YAK OSV 0.003135 0.45622 14.8936
146 1VA6 ADP 0.000000008829 0.44715 14.8936
147 3A5Y KAA 0.005281 0.43871 14.8936
148 1VA6 P2S 0.00000001063 0.43343 14.8936
149 1LQA NDP 0.02263 0.41754 14.8936
150 2E5A LAQ 0.01825 0.41539 14.8936
151 3A5Z KAA 0.01647 0.41499 14.8936
152 2YAB AMP 0.01499 0.40749 14.8936
153 3REU ATP 0.01437 0.40654 14.8936
154 4UTW RFW 0.01405 0.40505 14.8936
155 1S4M LUM 0.02963 0.40187 15.6997
156 1OUK 084 0.009339 0.47501 15.9574
157 3E9I XAH 0.00137 0.47475 15.9574
158 4KBA 1QM 0.0008324 0.45441 15.9574
159 3UDZ ADP 0.01183 0.41261 15.9574
160 1X54 4AD 0.01831 0.41121 15.9574
161 1X8X TYR 0.00631 0.40564 15.9574
162 5HWV MBN 0.008889 0.40084 16.1538
163 2EW5 Y12 0.0006843 0.4739 17.0213
164 1W8S FBP 0.005097 0.42445 17.0213
165 4F4P 0SB 0.0461 0.41706 17.0213
166 1PJS SAH 0.0228 0.40014 17.0213
167 3IES M24 0.01089 0.43431 18.0851
168 3A7R LAQ 0.03362 0.40943 18.0851
169 4J7H TLO 0.02347 0.40115 18.0851
170 3NZ1 3NY 0.002144 0.44178 18.3908
171 3GD9 GLC BGC BGC BGC 0.01132 0.40534 18.8011
172 3IS2 FAD 0.03424 0.4012 18.8312
173 5D9G GLU ASN LEU TYR PHE GLN 0.00437 0.42018 19.1489
174 4Z3E GAL NGA GLA BGC GAL 0.01186 0.40447 19.1919
175 2Z6D FMN 0.007943 0.4212 19.2308
176 4L3L 5FI 0.009059 0.43244 20.0658
177 5LRT ADP 0.00000003772 0.69942 20.2128
178 2RKV ZBA 0.007247 0.44584 20.2128
179 5U98 1KX 0.01583 0.44363 20.2128
180 2RKV COA 0.01895 0.42053 20.2128
181 3Q60 ATP 0.007862 0.41744 20.2128
182 1RE8 BD2 0.04047 0.41228 20.2128
183 5FUI APY 0.0001997 0.45318 20.4545
184 1RYA GDP 0.01491 0.41721 21.25
185 5EYP LOC 0.003777 0.44276 21.3018
186 5A5W GUO 0.03764 0.41059 21.3439
187 5XLY C2E 0.0009608 0.40888 21.8045
188 3IWD M2T 0.00001202 0.52882 22.0588
189 4USI ATP 0.02402 0.40064 22.0779
190 3KYF 5GP 5GP 0.0009338 0.44189 22.3404
191 5UL4 SAM 0.005878 0.42144 23.4043
192 2TPI ILE VAL 0.0004697 0.41506 24.1379
193 3I7V B4P 0.001737 0.43667 24.4681
194 1B7H LYS NLE LYS 0.02636 0.41296 25.5319
195 4LOO SB4 0.0008205 0.46778 27.5862
196 1I1E DM2 0.001503 0.43534 27.6596
197 1GT4 UNA 0.01017 0.41196 27.6596
198 3M6P BB2 0.008281 0.41837 29.7872
199 2QCS ANP 0.007733 0.43179 35.1064
Pocket No.: 2; Query (leader) PDB : 3H0L; Ligand: ADP; Similar sites found: 32
This union binding pocket(no: 2) in the query (biounit: 3h0l.bio4) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZWS PLM 0.0182 0.41897 4.25532
2 1GQG DCD 0.02051 0.40014 4.81172
3 2CBO TH2 0.01652 0.40039 5.21739
4 2WQP WQP 0.02777 0.40085 5.31915
5 5ML3 DL3 0.04176 0.40178 5.36913
6 1I0B PEL 0.01802 0.40342 5.42169
7 5F3I 5UJ 0.04718 0.411 6.38298
8 4F8L AES 0.02179 0.40921 6.89655
9 1F76 FMN 0.02173 0.40487 7.14286
10 2IV2 MGD 0.02859 0.4104 8.51064
11 4DQ2 BTX 0.02608 0.40477 8.51064
12 1T90 NAD 0.03342 0.40161 8.51064
13 4WCX MET 0.01153 0.42772 9.57447
14 5LVP ATP 0.007582 0.40926 9.57447
15 4QB6 GCU XYP 0.003315 0.43842 10.9756
16 2ZE3 AKG 0.01443 0.40555 11.6364
17 3X0D SAH 0.01678 0.40273 12.766
18 2A1L PCW 0.03881 0.40883 13.7037
19 1MUU SUC 0.00679 0.41733 13.8298
20 3G1Z AMP 0.01037 0.40047 14.8936
21 3C6K MTA 0.03826 0.40179 15.9574
22 3C6K SPD 0.03826 0.40179 15.9574
23 3RF4 FUN 0.01181 0.40666 17.2414
24 2GAG FAD 0.04226 0.40925 18.0851
25 2GAG FOA 0.04226 0.40925 18.0851
26 4YLL 4E3 0.01596 0.40711 18.0851
27 2ZQO NGA 0.009774 0.4079 19.2308
28 3FHI ANP 0.01186 0.41803 20.2128
29 1QAW TRP 0.03768 0.40314 22.973
30 5UKL SIX 0.005117 0.4377 25.5319
31 3ZZS TRP 0.008415 0.40939 26.1538
32 5F6U 5VK 0.007401 0.42257 29.9363
Pocket No.: 3; Query (leader) PDB : 3H0L; Ligand: ADP; Similar sites found: 11
This union binding pocket(no: 3) in the query (biounit: 3h0l.bio3) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GN3 MMA 0.02575 0.4008 3.1746
2 5ALC TIQ 0.01571 0.41465 4.2735
3 2ZAT NAP 0.0199 0.41197 5
4 3QXQ CE5 0.008308 0.4118 6.38298
5 2QE0 NAP 0.04773 0.40235 7.11297
6 4BLW AMP 0.03377 0.40461 9.57447
7 1W96 S1A 0.01601 0.40196 9.57447
8 4FE2 AIR 0.01009 0.40104 10.6383
9 4C2C ALA ALA ALA 0.01749 0.40102 13.8298
10 4C4A SAH 0.01017 0.41333 15.9574
11 2B4G FMN 0.0256 0.40263 18.0851
Pocket No.: 4; Query (leader) PDB : 3H0L; Ligand: ADP; Similar sites found: 7
This union binding pocket(no: 4) in the query (biounit: 3h0l.bio6) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GN3 MAN 0.02179 0.40642 3.1746
2 3IWJ NAD 0.01597 0.40015 12.766
3 1MDC PLM 0.02164 0.40058 17.4242
4 1RLJ FMN 0.01432 0.40244 18.705
5 4ZGR NGA GAL 0.01676 0.40065 19.4332
6 2UUU FAD 0.04551 0.41253 30.8511
7 2UUU PL3 0.04551 0.41253 30.8511
Pocket No.: 5; Query (leader) PDB : 3H0L; Ligand: ADP; Similar sites found: 5
This union binding pocket(no: 5) in the query (biounit: 3h0l.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UP4 GAL NAG 0.01397 0.40231 7.44681
2 1U3U BNF 0.03067 0.41427 12.766
3 3MJY FMN 0.03546 0.40139 12.766
4 3MJY IJZ 0.03546 0.40139 12.766
5 3QH2 3NM 0.0155 0.40082 14.4796
Pocket No.: 6; Query (leader) PDB : 3H0L; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3h0l.bio8) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3H0L; Ligand: ADP; Similar sites found: 10
This union binding pocket(no: 7) in the query (biounit: 3h0l.bio5) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4JEJ 1GP 0.01452 0.40009 3.68852
2 2PWY SAH 0.01908 0.40882 5.81395
3 2HRL SIA GAL SIA BGC NGA CEQ 0.008318 0.40686 9.44882
4 4MOB ADP 0.002403 0.4166 9.57447
5 5F7V GLC GLC GLC GLC 0.01495 0.41102 9.57447
6 2NVK FAD 0.0402 0.41078 9.57447
7 3RFA SAM 0.01947 0.4 9.57447
8 1R6U TYM 0.02939 0.40068 11.7021
9 2OO8 RAJ 0.01407 0.41235 12.766
10 3EFS BTN 0.01608 0.40597 12.766
Pocket No.: 8; Query (leader) PDB : 3H0L; Ligand: ADP; Similar sites found: 2
This union binding pocket(no: 8) in the query (biounit: 3h0l.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NZY BCA 0.02322 0.40998 8.55019
2 1Q8Y ADP 0.012 0.41411 14.8936
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