Receptor
PDB id Resolution Class Description Source Keywords
1BS1 1.8 Å EC: 6.3.3.3 DETHIOBIOTIN SYNTHETASE COMPLEXED WITH DETHIOBIOTIN, ADP , I PHOSPHATE AND MAGNESIUM ESCHERICHIA COLI LIGASE BIOTIN BIOSYNTHESIS ALUMINUM FLOURIDE ATP-BINDINGPHOSPHORYL TRANSFER
Ref.: CRYSTAL STRUCTURE OF TWO QUATERNARY COMPLEXES OF DETHIOBIOTIN SYNTHETASE, ENZYME-MGADP-ALF3-DIAMINOP ACID AND ENZYME-MGADP-DETHIOBIOTIN-PHOSPHATE; IMPLI FOR CATALYSIS. PROTEIN SCI. V. 7 2560 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:802;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
DAA A:850;
Valid;
none;
submit data
315.246 C10 H19 Al F3 N2 O4 CC(C(...
MG A:901;
A:902;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DAK 1.6 Å EC: 6.3.3.3 DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX REACT INTERMEDIATE ADP AND MIXED ANHYDRIDE ESCHERICHIA COLI PHOSHPORYL TRANSFER BIOTIN BIOSYNTHESIS LIGASE KINETIC CRYSTALLOGRAPHY
Ref.: SNAPSHOT OF A PHOSPHORYLATED SUBSTRATE INTERMEDIATE KINETIC CRYSTALLOGRAPHY. PROC.NATL.ACAD.SCI.USA V. 95 5495 1998
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1DAK - DPU C10 H21 N2 O7 P CC(C(CCCCC....
2 1BS1 - DAA C10 H19 Al F3 N2 O4 CC(C(CCCCC....
3 1DAF - DSD C10 H20 N2 O4 CC(C(CCCCC....
4 1DAM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1A82 - DNN C9 H20 N2 O2 CC(C(CCCCC....
6 1DAE - IKT C11 H21 N O4 CC(C(CCCCC....
7 1DAI - DSD C10 H20 N2 O4 CC(C(CCCCC....
8 1DAD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1DAH - DNN C9 H20 N2 O2 CC(C(CCCCC....
10 1DAG - DSD C10 H20 N2 O4 CC(C(CCCCC....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1DAK - DPU C10 H21 N2 O7 P CC(C(CCCCC....
2 1BS1 - DAA C10 H19 Al F3 N2 O4 CC(C(CCCCC....
3 1DAF - DSD C10 H20 N2 O4 CC(C(CCCCC....
4 1DAM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1A82 - DNN C9 H20 N2 O2 CC(C(CCCCC....
6 1DAE - IKT C11 H21 N O4 CC(C(CCCCC....
7 1DAI - DSD C10 H20 N2 O4 CC(C(CCCCC....
8 1DAD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1DAH - DNN C9 H20 N2 O2 CC(C(CCCCC....
10 1DAG - DSD C10 H20 N2 O4 CC(C(CCCCC....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1DAK - DPU C10 H21 N2 O7 P CC(C(CCCCC....
2 1BS1 - DAA C10 H19 Al F3 N2 O4 CC(C(CCCCC....
3 1DAF - DSD C10 H20 N2 O4 CC(C(CCCCC....
4 1DAM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1A82 - DNN C9 H20 N2 O2 CC(C(CCCCC....
6 1DAE - IKT C11 H21 N O4 CC(C(CCCCC....
7 1DAI - DSD C10 H20 N2 O4 CC(C(CCCCC....
8 1DAD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1DAH - DNN C9 H20 N2 O2 CC(C(CCCCC....
10 1DAG - DSD C10 H20 N2 O4 CC(C(CCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 5FA 0.887324 1
5 AQP 0.887324 1
6 B4P 0.884058 0.971831
7 AP5 0.884058 0.971831
8 BA3 0.869565 0.971831
9 M33 0.833333 0.958333
10 ACQ 0.826667 0.972222
11 A 0.823529 0.971429
12 AMP 0.823529 0.971429
13 ACP 0.821918 0.972222
14 AR6 0.810811 0.971831
15 APR 0.810811 0.971831
16 ANP 0.802632 0.972222
17 AD9 0.8 0.972222
18 AGS 0.8 0.945946
19 SAP 0.8 0.945946
20 ADX 0.783784 0.873418
21 CA0 0.783784 0.945205
22 TAT 0.779221 0.958904
23 AMP MG 0.774648 0.891892
24 50T 0.773333 0.958333
25 ABM 0.763889 0.917808
26 PRX 0.763158 0.893333
27 APC 0.763158 0.958904
28 ATF 0.759494 0.958904
29 A22 0.753086 0.985915
30 AP2 0.743243 0.958904
31 A12 0.743243 0.958904
32 ADP MG 0.736842 0.905405
33 SRA 0.736111 0.918919
34 ADQ 0.73494 0.945205
35 25L 0.732558 0.985915
36 ADP BEF 0.727273 0.881579
37 BEF ADP 0.727273 0.881579
38 5AL 0.725 0.931507
39 2A5 0.717949 0.918919
40 A1R 0.714286 0.907895
41 AU1 0.714286 0.972222
42 ADP PO3 0.708861 0.943662
43 PAP 0.708861 0.985714
44 ATR 0.708861 0.971429
45 SRP 0.707317 0.906667
46 25A 0.702381 0.971831
47 ATP MG 0.7 0.905405
48 OAD 0.697674 0.945205
49 ADV 0.6875 0.932432
50 RBY 0.6875 0.932432
51 00A 0.686047 0.883117
52 BIS 0.681818 0.933333
53 3OD 0.681818 0.945205
54 ADP ALF 0.674699 0.87013
55 ALF ADP 0.674699 0.87013
56 AMO 0.674419 0.932432
57 4AD 0.674419 0.92
58 PAJ 0.674419 0.884615
59 GAP 0.670732 0.893333
60 MAP 0.670588 0.945946
61 ADP VO4 0.666667 0.931507
62 DLL 0.666667 0.931507
63 AHX 0.666667 0.896104
64 ANP MG 0.666667 0.894737
65 PTJ 0.662921 0.896104
66 SON 0.658228 0.932432
67 PR8 0.651685 0.85
68 LAD 0.651685 0.860759
69 ITT 0.65 0.943662
70 G5P 0.648936 0.921053
71 XYA 0.647059 0.84507
72 RAB 0.647059 0.84507
73 ADN 0.647059 0.84507
74 NB8 0.644444 0.896104
75 ME8 0.644444 0.839506
76 FYA 0.644444 0.905405
77 TXA 0.644444 0.932432
78 1ZZ 0.644444 0.839506
79 6AD 0.642857 0.909091
80 ADP BMA 0.640449 0.918919
81 G3A 0.638298 0.921053
82 DAL AMP 0.632184 0.905405
83 AFH 0.631579 0.884615
84 GTA 0.625 0.886076
85 FA5 0.623656 0.906667
86 YAP 0.623656 0.894737
87 UP5 0.622449 0.92
88 XAH 0.617021 0.839506
89 AV2 0.616279 0.917808
90 AOC 0.615385 0.821918
91 NAI 0.606061 0.907895
92 DND 0.606061 0.932432
93 TXD 0.606061 0.907895
94 NAX 0.606061 0.873418
95 NXX 0.606061 0.932432
96 5N5 0.605634 0.819444
97 5AS 0.604938 0.77907
98 A4P 0.60396 0.843373
99 DAT 0.60241 0.905405
100 A2R 0.602273 0.985915
101 5CD 0.597222 0.805556
102 A4D 0.597222 0.819444
103 4TC 0.594059 0.896104
104 AP0 0.594059 0.896104
105 A3P 0.592593 0.971429
106 139 0.592233 0.873418
107 T5A 0.592233 0.841463
108 ATP A A A 0.589474 0.930556
109 LAQ 0.585859 0.839506
110 MYR AMP 0.585106 0.817073
111 YLP 0.58 0.819277
112 UPA 0.578431 0.907895
113 ADJ 0.576923 0.851852
114 3AM 0.576923 0.929577
115 COD 0.575472 0.811765
116 NAD 0.575472 0.931507
117 3AT 0.574713 0.971831
118 EP4 0.573333 0.753247
119 A2P 0.573171 0.957143
120 CNA 0.571429 0.932432
121 TYM 0.568627 0.906667
122 PPS 0.568182 0.873418
123 M2T 0.565789 0.734177
124 DTA 0.565789 0.786667
125 AR6 AR6 0.565657 0.917808
126 A3D 0.564815 0.918919
127 3DH 0.564103 0.773333
128 G5A 0.563218 0.77907
129 YLB 0.563107 0.819277
130 YLC 0.563107 0.839506
131 AMP DBH 0.561224 0.893333
132 MTA 0.558442 0.773333
133 DTP 0.556818 0.905405
134 AHZ 0.554455 0.817073
135 NA7 0.553191 0.958904
136 IOT 0.552381 0.831325
137 ZAS 0.55 0.766234
138 7MD 0.55 0.8625
139 IMO 0.548781 0.929577
140 YLA 0.54717 0.819277
141 NAE 0.544643 0.894737
142 TAD 0.544554 0.884615
143 A5A 0.544444 0.807229
144 2AM 0.544304 0.943662
145 TSB 0.543478 0.819277
146 AYB 0.542056 0.809524
147 NAQ 0.539823 0.871795
148 V3L 0.539326 0.971831
149 AF3 ADP 3PG 0.538462 0.8375
150 ALF ADP 3PG 0.538462 0.8375
151 LA8 ALF 3PG 0.538462 0.8375
152 SSA 0.538462 0.8
153 ZID 0.535088 0.918919
154 LPA AMP 0.533981 0.817073
155 54H 0.532609 0.788235
156 52H 0.532609 0.77907
157 VMS 0.532609 0.788235
158 BTX 0.53211 0.841463
159 A3N 0.53012 0.786667
160 BT5 0.527273 0.831325
161 5CA 0.526882 0.8
162 53H 0.526882 0.77907
163 ARU 0.526316 0.860759
164 EAD 0.525862 0.873418
165 RGT 0.525253 0.958904
166 OVE 0.52439 0.905405
167 S4M 0.52381 0.666667
168 GDP 0.522222 0.92
169 DDS 0.522222 0.878378
170 AVV 0.521277 0.896104
171 NDE 0.521008 0.932432
172 7MC 0.518868 0.841463
173 DSH 0.518072 0.725
174 MAO 0.517647 0.759036
175 NSS 0.515789 0.8
176 DSZ 0.515789 0.8
177 LSS 0.515789 0.761364
178 P5A 0.515464 0.744444
179 DZD 0.513514 0.884615
180 NVA LMS 0.510417 0.761364
181 12D 0.509615 0.785714
182 NAD IBO 0.509091 0.87013
183 M24 0.508772 0.85
184 YLY 0.508772 0.809524
185 P1H 0.508333 0.851852
186 5AD 0.506849 0.746479
187 LEU LMS 0.505155 0.761364
188 4TA 0.504505 0.807229
189 G A A A 0.504505 0.871795
190 NAJ PZO 0.504425 0.848101
191 NDC 0.5 0.871795
192 128 0.5 0.776471
193 A3G 0.5 0.8
194 KAA 0.5 0.752809
195 GSU 0.5 0.77907
196 N0B 0.495726 0.819277
197 NJP 0.495495 0.945946
198 ODP 0.495495 0.909091
199 2SA 0.494624 0.932432
200 6C6 0.494505 0.881579
201 SFG 0.494382 0.75
202 0WD 0.491071 0.921053
203 YSA 0.490196 0.77907
204 PO4 PO4 A A A A PO4 0.489796 0.902778
205 SAM 0.48913 0.690476
206 6IA 0.48913 0.8375
207 A7D 0.488636 0.776316
208 6FA 0.488 0.841463
209 FB0 0.487805 0.804598
210 NAJ PYZ 0.487179 0.85
211 A5D 0.483516 0.786667
212 IDP 0.483516 0.918919
213 SA8 0.483516 0.707317
214 PGS 0.483146 0.883117
215 MHZ 0.483146 0.697674
216 NEC 0.482353 0.746667
217 D5M 0.482353 0.878378
218 DA 0.482353 0.878378
219 NIA 0.481928 0.822785
220 FAD 0.480315 0.851852
221 FAS 0.480315 0.851852
222 FDA 0.48 0.833333
223 N6P 0.479592 0.915493
224 GGZ 0.479167 0.825
225 SAI 0.478261 0.734177
226 SAH 0.478261 0.74359
227 NDP 0.477477 0.921053
228 NPW 0.477477 0.886076
229 AAM 0.476744 0.971429
230 C2R 0.47561 0.90411
231 AMZ 0.47561 0.916667
232 A A A 0.474747 0.905405
233 GTP 0.473684 0.92
234 SMM 0.473684 0.686047
235 TXP 0.473214 0.921053
236 NZQ 0.473214 0.909091
237 A3S 0.47191 0.810811
238 AMP NAD 0.470588 0.881579
239 SFD 0.46875 0.734043
240 AIR 0.468354 0.901408
241 EEM 0.468085 0.690476
242 AAT 0.468085 0.707317
243 J7V 0.466667 0.833333
244 Z5A 0.466667 0.77907
245 FAY 0.462121 0.8625
246 ETB 0.461538 0.833333
247 A3T 0.461538 0.821918
248 DCA 0.461538 0.823529
249 A6D 0.46 0.722892
250 A U 0.459459 0.87013
251 6K6 0.459184 0.930556
252 GEK 0.459184 0.7375
253 RFL 0.458647 0.821429
254 NAP 0.458333 0.945205
255 S7M 0.458333 0.690476
256 WSA 0.454545 0.788235
257 TAP 0.454545 0.907895
258 FNK 0.454545 0.804598
259 COA 0.453782 0.823529
260 101 0.453488 0.878378
261 NA0 0.45082 0.932432
262 PA7 0.449438 0.708861
263 7RP 0.448276 0.928571
264 GP3 0.446809 0.921053
265 TM1 0.446602 0.77381
266 APU 0.446429 0.894737
267 PUA 0.445378 0.884615
268 V1N 0.443396 0.917808
269 7RA 0.443182 0.957747
270 AMX 0.442623 0.833333
271 COS 0.442623 0.804598
272 CAO 0.442623 0.795455
273 30N 0.442623 0.752688
274 QQY 0.44186 0.815789
275 ACK 0.44186 0.861111
276 0UM 0.44 0.698795
277 NHD 0.439655 0.905405
278 SCO 0.439024 0.823529
279 CMX 0.439024 0.823529
280 GCP 0.438776 0.896104
281 8BR 0.438202 0.906667
282 3AD 0.4375 0.805556
283 GNH 0.4375 0.907895
284 FAM 0.435484 0.804598
285 FCX 0.435484 0.795455
286 ACO 0.435484 0.795455
287 GNP 0.434343 0.896104
288 NMX 0.433071 0.76087
289 MGP 0.43299 0.884615
290 PLP AAD 0.432203 0.741573
291 26A 0.432099 0.763158
292 HAX 0.432 0.804598
293 K15 0.431373 0.682353
294 1DG 0.430894 0.921053
295 DG1 0.430894 0.921053
296 QQX 0.430233 0.805195
297 2VA 0.430108 0.8
298 2MC 0.429688 0.769231
299 FYN 0.428571 0.823529
300 P5F 0.428571 0.823529
301 U G A 0.427481 0.839506
302 RMB 0.426966 0.873239
303 FAI 0.426966 0.916667
304 1RB 0.425287 0.885714
305 SOP 0.425197 0.804598
306 OXK 0.425197 0.804598
307 COK 0.425197 0.804598
308 MCD 0.425197 0.804598
309 CA6 0.425197 0.729167
310 G1R 0.424242 0.907895
311 CC5 0.423077 0.816901
312 NOS 0.423077 0.791667
313 F2N 0.422535 0.813953
314 ANZ 0.422018 0.8
315 CMC 0.421875 0.804598
316 CO6 0.421875 0.804598
317 1VU 0.421875 0.795455
318 GDC 0.420561 0.884615
319 GDD 0.420561 0.884615
320 GKE 0.420561 0.884615
321 NFD 0.420168 0.883117
322 GSP 0.42 0.873418
323 D3Y 0.42 0.789474
324 MC4 0.419847 0.76087
325 3L1 0.419753 0.773333
326 3D1 0.419753 0.773333
327 FA9 0.41958 0.864198
328 G 0.419355 0.906667
329 5GP 0.419355 0.906667
330 SCD 0.418605 0.823529
331 CAJ 0.418605 0.804598
332 CMP 0.417582 0.901408
333 2BA 0.417582 0.915493
334 N01 0.416667 0.905405
335 MLC 0.415385 0.804598
336 3HC 0.415385 0.813953
337 1HE 0.415385 0.786517
338 NMN AMP PO4 0.415254 0.87013
339 2FA 0.414634 0.813333
340 MGO 0.414141 0.860759
341 3NZ 0.413462 0.782051
342 YE1 0.412214 0.813953
343 MCA 0.412214 0.795455
344 CAA 0.412214 0.813953
345 GAV 0.411765 0.884615
346 JLN 0.411111 0.890411
347 P2P 0.411111 0.902778
348 ZZB 0.410256 0.77381
349 CNV FAD 0.410072 0.793103
350 2CP 0.409091 0.795455
351 103 0.409091 0.837838
352 SCA 0.409091 0.804598
353 RP1 0.409091 0.842105
354 SP1 0.409091 0.842105
355 PAX 0.408 0.829268
356 FAD NBT 0.407143 0.75
357 NVA 2AD 0.40625 0.74359
358 IRC 0.406015 0.813953
359 3CP 0.406015 0.804598
360 COW 0.406015 0.795455
361 HGG 0.406015 0.804598
362 BYC 0.406015 0.804598
363 2KQ 0.406015 0.786517
364 COF 0.406015 0.786517
365 CA8 0.406015 0.729167
366 1GZ 0.406015 0.795455
367 G2P 0.405941 0.884615
368 SLU 0.404959 0.770115
369 RBZ 0.404494 0.849315
370 1CZ 0.404412 0.795455
371 FAQ 0.402985 0.804598
372 4CA 0.402985 0.795455
373 BCA 0.402985 0.795455
374 MTP 0.402439 0.730769
375 8OD 0.402062 0.945205
376 CO7 0.401515 0.804598
377 DAL FAD PER 0.401408 0.809524
378 GMV 0.4 0.896104
379 HXC 0.4 0.786517
380 ENQ 0.4 0.916667
381 G2R 0.4 0.884615
382 GRA 0.4 0.804598
Ligand no: 2; Ligand: DAA; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 DAA 1 1
2 DSD 0.64 0.692308
3 DPU 0.631579 0.758621
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DAK; Ligand: DPU; Similar sites found: 230
This union binding pocket(no: 1) in the query (biounit: 1dak.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2CBZ ATP 1.114e-05 0.62312
2 1GOJ ADP 3.252e-05 0.59137
3 1G3Q ADP 8.505e-06 0.59024
4 3LRE ADP 5.76e-05 0.57562
5 3LRE ADP 5.76e-05 0.57562
6 3LRE ADP 6.26e-05 0.57383
7 4CVN ADP 5.561e-05 0.57038
8 2WJG GDP 4.175e-05 0.56933
9 3PQC GDP 6.583e-05 0.56638
10 4CVN ADP 8.83e-05 0.55941
11 4CVN ADP 8.973e-05 0.55903
12 2NCD ADP 0.0001122 0.55746
13 2HF9 GSP 1.739e-05 0.55477
14 4AG5 ADP 0.0001288 0.55316
15 3A1S GDP 5.051e-05 0.5509
16 1SQ5 ADP 5.253e-05 0.55003
17 3WY9 GDP 0.0001093 0.54706
18 2WIC GNP 6.1e-05 0.54673
19 2WIC GNP 6.1e-05 0.54673
20 3U6B GDP 0.0001222 0.54448
21 4J0Q GDP 0.0001237 0.5442
22 1SQ5 ADP 7.061e-05 0.5435
23 4J0Q GDP 0.0001316 0.54277
24 4J0Q GDP 0.0001335 0.54244
25 3WY9 GDP 0.0001381 0.54165
26 1SQ5 ADP 7.886e-05 0.54106
27 3A1S GDP 8.491e-05 0.53942
28 2WJG GDP 0.0001173 0.53866
29 2BVN GNP 5.264e-05 0.53755
30 2BVN GNP 5.27e-05 0.53753
31 1JI0 ATP 0.0002301 0.5367
32 3U6B GDP 0.0001878 0.53455
33 4CVN ADP 0.0001945 0.53373
34 2G77 AF3 0.0003015 0.53355
35 4J0Q GDP 0.0002074 0.53225
36 4AG5 ADP 0.0002969 0.53177
37 2DPY ADP 0.0002904 0.53118
38 4J0Q GDP 0.0002412 0.52876
39 2ZFI ADP 0.0002056 0.52597
40 4BQS ADP 0.0003659 0.52569
41 1JJ7 ADP 0.0003899 0.52493
42 2IYL GDP 0.0002518 0.5214
43 4DKX GDP 0.0002769 0.51924
44 4DKX GDP 0.0002338 0.51706
45 1M7B GTP 6.707e-05 0.51634
46 3U6K GDP 0.0003249 0.51563
47 3U6K GDP 0.0003622 0.51318
48 3PQC GDP 0.000233 0.51145
49 4LC1 GDP 0.0004121 0.51026
50 3N5C GDP 0.0004143 0.51014
51 3EZ2 ADP 0.0005646 0.50907
52 2C78 GNP 7.685e-05 0.50881
53 3TKL GTP 4.804e-05 0.50861
54 2G77 GDP 0.0001959 0.50459
55 2A5J GDP 0.0003212 0.50452
56 3QBT GNP 4.947e-05 0.50365
57 3NHB ADP 0.001082 0.50316
58 4HSE ADP 0.0004409 0.50304
59 3QBT GNP 5.338e-05 0.50224
60 1G7S GDP 0.0004577 0.50222
61 3MJH GTP 5.498e-05 0.50169
62 4LHW GNP 7.042e-05 0.5014
63 3QBT GNP 5.745e-05 0.50088
64 3QBT GNP 5.79e-05 0.50074
65 2BEK ATP 0.0001191 0.50024
66 2C04 GCP 0.0001578 0.4993
67 2J59 GTP 0.000158 0.49472
68 3N5C GDP 0.0007113 0.49247
69 4NON GDP 0.0009209 0.49209
70 4LHW GNP 9.423e-05 0.49172
71 4LHW GNP 9.444e-05 0.49168
72 4BQS ADP 0.0009671 0.49098
73 3ZS9 ADP ALF 0.0001227 0.49094
74 3REF GDP 0.000192 0.49091
75 4TMZ GSP 0.0001543 0.49081
76 4LHW GNP 0.0001048 0.48975
77 2WKQ GTP 0.0001649 0.48954
78 2W83 GTP 0.0001661 0.4894
79 4OHY ANP 0.0001347 0.48917
80 2HF9 GSP 0.0001152 0.488
81 2Y8E GNP 0.0001212 0.48706
82 2Y8E GNP 0.0001212 0.48706
83 1Z0J GTP 9.818e-05 0.48694
84 4M9Q GNP 0.0002369 0.4868
85 3MJH GTP 0.0001002 0.48657
86 1J2J GTP 0.0001932 0.48649
87 2J59 GTP 0.0001954 0.48628
88 2J59 GTP 0.0001971 0.48611
89 2J59 GTP 0.0001994 0.48588
90 2J59 GTP 0.0002045 0.4854
91 4M9Q GNP 0.0002555 0.48532
92 4QOS ADP 0.0007953 0.48493
93 3ZS9 ADP ALF 0.0001097 0.48492
94 4TMZ GSP 0.00021 0.48489
95 2Y8E GNP 0.0001365 0.48486
96 2J59 GTP 0.0002132 0.48461
97 1HE1 AF3 0.002342 0.48366
98 2X77 GDP 0.001086 0.48312
99 1YZN GNP 0.000123 0.48284
100 4M9Q GNP 0.0002901 0.48284
101 1TX4 ALF GDP 0.0002534 0.48129
102 3GJ0 GDP 0.001523 0.48072
103 1S9D GDP 0.001241 0.48018
104 3LXR GDP 0.001088 0.47814
105 1WDT GTP 0.0005711 0.47794
106 1A2K GDP 0.001384 0.47776
107 1A2K GDP 0.001384 0.47776
108 3PCR GTP 0.0003127 0.47725
109 1HE1 AF3 0.002843 0.47704
110 4LPS GDP 0.00146 0.47659
111 4LHW GNP 0.0002153 0.47642
112 1Z6T ADP 0.0007719 0.47617
113 1U8Z GDP 0.000426 0.47533
114 3GJ8 GDP 0.00157 0.47498
115 3REF GDP 0.0004342 0.47496
116 2FNA ADP 0.0003567 0.47473
117 3T12 GDP ALF 0.0004495 0.47428
118 3GJ8 GDP 0.001632 0.47413
119 1Z6T ADP 0.0008698 0.4737
120 1Z6T ADP 0.0008977 0.47304
121 2FNA ADP 0.0004892 0.47262
122 1W7J ADP BEF 0.0009601 0.47165
123 1FQK ALF 0.003947 0.47097
124 1TQ4 GDP 0.0006946 0.46977
125 2BCG GDP 0.0008628 0.46956
126 1FQJ ALF 0.004234 0.46925
127 1Z6T ADP 0.0008978 0.46875
128 1U8Z GDP 0.0005053 0.46804
129 4P4T GDP 0.0009374 0.46788
130 1WQ1 AF3 0.004516 0.46737
131 1A2K GDP 0.003583 0.46629
132 1FQJ ALF 0.00498 0.46521
133 3B9Q MLI 0.005155 0.4651
134 1GUA GNP 0.0003299 0.46488
135 2GJ8 ALF GDP 0.0003318 0.46478
136 2GJ8 ALF GDP 0.0003521 0.46369
137 1GXU 2HP 0.001505 0.46359
138 4LPS GDP 0.002184 0.46309
139 2CK3 ANP 0.001238 0.46223
140 1Z08 GNP 0.000468 0.46204
141 1Z2A GDP 0.0007634 0.46012
142 1G4U AF3 0.005221 0.45916
143 1Z08 GNP 0.0008139 0.45889
144 2F9L GDP 0.0008479 0.45811
145 1ZD9 GDP 0.001546 0.45771
146 1G6O ADP 0.002832 0.45746
147 1G6O ADP 0.002832 0.45746
148 1Z08 GNP 0.0005587 0.45529
149 3GJ0 GDP 0.002589 0.45513
150 1IBR GNP 0.000645 0.45268
151 2C9O ADP 0.001645 0.45259
152 1IBR GNP 0.0006598 0.45226
153 3BER AMP 0.005407 0.45204
154 4HI0 GDP 0.001865 0.45009
155 1Z08 GNP 0.001308 0.44978
156 1Z08 GNP 0.001308 0.44978
157 1F5N GNP 0.0008188 0.44833
158 2C04 GCP 0.002979 0.44817
159 1G4U GDP 0.002562 0.44744
160 2CL6 CAG 0.001096 0.44627
161 2OM2 GDP 0.002291 0.44599
162 2CK3 ADP 0.001597 0.44596
163 3KTA AP5 0.0023 0.44591
164 2VOH CIT 0.01285 0.44477
165 2C9O ADP 0.002548 0.44387
166 3R7F CP 0.01278 0.4437
167 3BFX A3P 0.003189 0.44299
168 3KTA AP5 0.004683 0.44257
169 4WZA ACP 0.0003071 0.44148
170 4H1V GNP 0.004211 0.44099
171 1CS4 GSP 0.001033 0.44094
172 1FQK ALF 0.01382 0.43982
173 3FKQ ATP 0.004694 0.43873
174 4V0K GDP 0.004153 0.43761
175 3HU3 AGS 0.003515 0.43745
176 4ISS TAR 0.01741 0.43728
177 4WZA ADP 0.000457 0.43531
178 1YTM ATP 0.003959 0.43507
179 2OM2 GDP 0.003369 0.43488
180 1HE1 GDP 0.004019 0.43477
181 2VB6 ADP BEF 0.003403 0.43468
182 4IEE AGS 0.01485 0.43326
183 1HE1 GDP 0.004701 0.43165
184 1WA5 GTP 0.001108 0.43091
185 1GP2 GDP 0.003573 0.43048
186 1YTM ATP 0.005078 0.43011
187 1FNN ADP 0.006048 0.42996
188 1FNN ADP 0.006275 0.42921
189 2MSB NAG BMA MAN MAN MAN MAN MAN 0.02378 0.42873
190 1FQJ GDP 0.004704 0.42834
191 4FMS BDP 0.02353 0.42827
192 4NON GDP 0.002332 0.42636
193 2XG5 EC5 0.02051 0.42582
194 2XG5 EC2 0.02051 0.42582
195 1WQ1 GDP 0.005219 0.4232
196 1FQJ GDP 0.005916 0.42078
197 3FVQ ATP 0.008146 0.42066
198 1OBV FMN 0.008616 0.41954
199 2ZTS ADP 0.01139 0.41704
200 1QHH ATP 0.02157 0.41689
201 1FQK GDP 0.007433 0.41639
202 1FQK GDP 0.007928 0.41515
203 3T34 GDP 0.008791 0.41316
204 4V0K GDP 0.007808 0.41259
205 1TU3 GNP 4.064e-05 0.41259
206 1Z06 GNP 1.542e-05 0.41174
207 2ODE ALF GDP 0.003456 0.41152
208 1CLU DBG 0.0009392 0.41142
209 4MUB A3P 0.01548 0.41077
210 4MUB A3P 0.01548 0.41077
211 1AUX AGS 0.01875 0.40988
212 4GBM A3P 0.0108 0.40918
213 3ZQ6 ADP ALF 6.501e-05 0.40686
214 1R2Q GNP 0.0003076 0.40649
215 1BO4 COA 0.04016 0.40634
216 1W4R TTP 0.007165 0.40624
217 2YOH WMJ 0.004737 0.40613
218 1W4R TTP 0.006448 0.40562
219 1LH0 ORO 0.02679 0.40545
220 1MH1 GNP 7.049e-05 0.40539
221 3ZPG 5GP 0.04196 0.40417
222 3R4S SIA 0.04531 0.40318
223 3ZQ6 ADP ALF 0.0001196 0.40294
224 2BEK ATP 0.002647 0.40212
225 4NE2 ADP 0.004052 0.40185
226 4K81 GTP 9.889e-05 0.40177
227 1CM0 COA 0.037 0.40157
228 4K81 GTP 0.0001047 0.40128
229 4NE2 ADP 0.003693 0.40116
230 1IHU ADP 2.745e-05 0.40115
Pocket No.: 2; Query (leader) PDB : 1DAK; Ligand: ADP; Similar sites found: 230
This union binding pocket(no: 2) in the query (biounit: 1dak.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2CBZ ATP 1.114e-05 0.62312
2 1GOJ ADP 3.252e-05 0.59137
3 1G3Q ADP 8.505e-06 0.59024
4 3LRE ADP 5.76e-05 0.57562
5 3LRE ADP 5.76e-05 0.57562
6 3LRE ADP 6.26e-05 0.57383
7 4CVN ADP 5.561e-05 0.57038
8 2WJG GDP 4.175e-05 0.56933
9 3PQC GDP 6.583e-05 0.56638
10 4CVN ADP 8.83e-05 0.55941
11 4CVN ADP 8.973e-05 0.55903
12 2NCD ADP 0.0001122 0.55746
13 2HF9 GSP 1.739e-05 0.55477
14 4AG5 ADP 0.0001288 0.55316
15 3A1S GDP 5.051e-05 0.5509
16 1SQ5 ADP 5.253e-05 0.55003
17 3WY9 GDP 0.0001093 0.54706
18 2WIC GNP 6.1e-05 0.54673
19 2WIC GNP 6.1e-05 0.54673
20 3U6B GDP 0.0001222 0.54448
21 4J0Q GDP 0.0001237 0.5442
22 1SQ5 ADP 7.061e-05 0.5435
23 4J0Q GDP 0.0001316 0.54277
24 4J0Q GDP 0.0001335 0.54244
25 3WY9 GDP 0.0001381 0.54165
26 1SQ5 ADP 7.886e-05 0.54106
27 3A1S GDP 8.491e-05 0.53942
28 2WJG GDP 0.0001173 0.53866
29 2BVN GNP 5.264e-05 0.53755
30 2BVN GNP 5.27e-05 0.53753
31 1JI0 ATP 0.0002301 0.5367
32 3U6B GDP 0.0001878 0.53455
33 4CVN ADP 0.0001945 0.53373
34 2G77 AF3 0.0003015 0.53355
35 4J0Q GDP 0.0002074 0.53225
36 4AG5 ADP 0.0002969 0.53177
37 2DPY ADP 0.0002904 0.53118
38 4J0Q GDP 0.0002412 0.52876
39 2ZFI ADP 0.0002056 0.52597
40 4BQS ADP 0.0003659 0.52569
41 1JJ7 ADP 0.0003899 0.52493
42 2IYL GDP 0.0002518 0.5214
43 4DKX GDP 0.0002769 0.51924
44 4DKX GDP 0.0002338 0.51706
45 1M7B GTP 6.707e-05 0.51634
46 3U6K GDP 0.0003249 0.51563
47 3U6K GDP 0.0003622 0.51318
48 3PQC GDP 0.000233 0.51145
49 4LC1 GDP 0.0004121 0.51026
50 3N5C GDP 0.0004143 0.51014
51 3EZ2 ADP 0.0005646 0.50907
52 2C78 GNP 7.685e-05 0.50881
53 3TKL GTP 4.804e-05 0.50861
54 2G77 GDP 0.0001959 0.50459
55 2A5J GDP 0.0003212 0.50452
56 3QBT GNP 4.947e-05 0.50365
57 3NHB ADP 0.001082 0.50316
58 4HSE ADP 0.0004409 0.50304
59 3QBT GNP 5.338e-05 0.50224
60 1G7S GDP 0.0004577 0.50222
61 3MJH GTP 5.498e-05 0.50169
62 4LHW GNP 7.042e-05 0.5014
63 3QBT GNP 5.745e-05 0.50088
64 3QBT GNP 5.79e-05 0.50074
65 2BEK ATP 0.0001191 0.50024
66 2C04 GCP 0.0001578 0.4993
67 2J59 GTP 0.000158 0.49472
68 3N5C GDP 0.0007113 0.49247
69 4NON GDP 0.0009209 0.49209
70 4LHW GNP 9.423e-05 0.49172
71 4LHW GNP 9.444e-05 0.49168
72 4BQS ADP 0.0009671 0.49098
73 3ZS9 ADP ALF 0.0001227 0.49094
74 3REF GDP 0.000192 0.49091
75 4TMZ GSP 0.0001543 0.49081
76 4LHW GNP 0.0001048 0.48975
77 2WKQ GTP 0.0001649 0.48954
78 2W83 GTP 0.0001661 0.4894
79 4OHY ANP 0.0001347 0.48917
80 2HF9 GSP 0.0001152 0.488
81 2Y8E GNP 0.0001212 0.48706
82 2Y8E GNP 0.0001212 0.48706
83 1Z0J GTP 9.818e-05 0.48694
84 4M9Q GNP 0.0002369 0.4868
85 3MJH GTP 0.0001002 0.48657
86 1J2J GTP 0.0001932 0.48649
87 2J59 GTP 0.0001954 0.48628
88 2J59 GTP 0.0001971 0.48611
89 2J59 GTP 0.0001994 0.48588
90 2J59 GTP 0.0002045 0.4854
91 4M9Q GNP 0.0002555 0.48532
92 4QOS ADP 0.0007953 0.48493
93 3ZS9 ADP ALF 0.0001097 0.48492
94 4TMZ GSP 0.00021 0.48489
95 2Y8E GNP 0.0001365 0.48486
96 2J59 GTP 0.0002132 0.48461
97 1HE1 AF3 0.002342 0.48366
98 2X77 GDP 0.001086 0.48312
99 1YZN GNP 0.000123 0.48284
100 4M9Q GNP 0.0002901 0.48284
101 1TX4 ALF GDP 0.0002534 0.48129
102 3GJ0 GDP 0.001523 0.48072
103 1S9D GDP 0.001241 0.48018
104 3LXR GDP 0.001088 0.47814
105 1WDT GTP 0.0005711 0.47794
106 1A2K GDP 0.001384 0.47776
107 1A2K GDP 0.001384 0.47776
108 3PCR GTP 0.0003127 0.47725
109 1HE1 AF3 0.002843 0.47704
110 4LPS GDP 0.00146 0.47659
111 4LHW GNP 0.0002153 0.47642
112 1Z6T ADP 0.0007719 0.47617
113 1U8Z GDP 0.000426 0.47533
114 3GJ8 GDP 0.00157 0.47498
115 3REF GDP 0.0004342 0.47496
116 2FNA ADP 0.0003567 0.47473
117 3T12 GDP ALF 0.0004495 0.47428
118 3GJ8 GDP 0.001632 0.47413
119 1Z6T ADP 0.0008698 0.4737
120 1Z6T ADP 0.0008977 0.47304
121 2FNA ADP 0.0004892 0.47262
122 1W7J ADP BEF 0.0009601 0.47165
123 1FQK ALF 0.003947 0.47097
124 1TQ4 GDP 0.0006946 0.46977
125 2BCG GDP 0.0008628 0.46956
126 1FQJ ALF 0.004234 0.46925
127 1Z6T ADP 0.0008978 0.46875
128 1U8Z GDP 0.0005053 0.46804
129 4P4T GDP 0.0009374 0.46788
130 1WQ1 AF3 0.004516 0.46737
131 1A2K GDP 0.003583 0.46629
132 1FQJ ALF 0.00498 0.46521
133 3B9Q MLI 0.005155 0.4651
134 1GUA GNP 0.0003299 0.46488
135 2GJ8 ALF GDP 0.0003318 0.46478
136 2GJ8 ALF GDP 0.0003521 0.46369
137 1GXU 2HP 0.001505 0.46359
138 4LPS GDP 0.002184 0.46309
139 2CK3 ANP 0.001238 0.46223
140 1Z08 GNP 0.000468 0.46204
141 1Z2A GDP 0.0007634 0.46012
142 1G4U AF3 0.005221 0.45916
143 1Z08 GNP 0.0008139 0.45889
144 2F9L GDP 0.0008479 0.45811
145 1ZD9 GDP 0.001546 0.45771
146 1G6O ADP 0.002832 0.45746
147 1G6O ADP 0.002832 0.45746
148 1Z08 GNP 0.0005587 0.45529
149 3GJ0 GDP 0.002589 0.45513
150 1IBR GNP 0.000645 0.45268
151 2C9O ADP 0.001645 0.45259
152 1IBR GNP 0.0006598 0.45226
153 3BER AMP 0.005407 0.45204
154 4HI0 GDP 0.001865 0.45009
155 1Z08 GNP 0.001308 0.44978
156 1Z08 GNP 0.001308 0.44978
157 1F5N GNP 0.0008188 0.44833
158 2C04 GCP 0.002979 0.44817
159 1G4U GDP 0.002562 0.44744
160 2CL6 CAG 0.001096 0.44627
161 2OM2 GDP 0.002291 0.44599
162 2CK3 ADP 0.001597 0.44596
163 3KTA AP5 0.0023 0.44591
164 2VOH CIT 0.01285 0.44477
165 2C9O ADP 0.002548 0.44387
166 3R7F CP 0.01278 0.4437
167 3BFX A3P 0.003189 0.44299
168 3KTA AP5 0.004683 0.44257
169 4WZA ACP 0.0003071 0.44148
170 4H1V GNP 0.004211 0.44099
171 1CS4 GSP 0.001033 0.44094
172 1FQK ALF 0.01382 0.43982
173 3FKQ ATP 0.004694 0.43873
174 4V0K GDP 0.004153 0.43761
175 3HU3 AGS 0.003515 0.43745
176 4ISS TAR 0.01741 0.43728
177 4WZA ADP 0.000457 0.43531
178 1YTM ATP 0.003959 0.43507
179 2OM2 GDP 0.003369 0.43488
180 1HE1 GDP 0.004019 0.43477
181 2VB6 ADP BEF 0.003403 0.43468
182 4IEE AGS 0.01485 0.43326
183 1HE1 GDP 0.004701 0.43165
184 1WA5 GTP 0.001108 0.43091
185 1GP2 GDP 0.003573 0.43048
186 1YTM ATP 0.005078 0.43011
187 1FNN ADP 0.006048 0.42996
188 1FNN ADP 0.006275 0.42921
189 2MSB NAG BMA MAN MAN MAN MAN MAN 0.02378 0.42873
190 1FQJ GDP 0.004704 0.42834
191 4FMS BDP 0.02353 0.42827
192 4NON GDP 0.002332 0.42636
193 2XG5 EC5 0.02051 0.42582
194 2XG5 EC2 0.02051 0.42582
195 1WQ1 GDP 0.005219 0.4232
196 1FQJ GDP 0.005916 0.42078
197 3FVQ ATP 0.008146 0.42066
198 1OBV FMN 0.008616 0.41954
199 2ZTS ADP 0.01139 0.41704
200 1QHH ATP 0.02157 0.41689
201 1FQK GDP 0.007433 0.41639
202 1FQK GDP 0.007928 0.41515
203 3T34 GDP 0.008791 0.41316
204 4V0K GDP 0.007808 0.41259
205 1TU3 GNP 4.064e-05 0.41259
206 1Z06 GNP 1.542e-05 0.41174
207 2ODE ALF GDP 0.003456 0.41152
208 1CLU DBG 0.0009392 0.41142
209 4MUB A3P 0.01548 0.41077
210 4MUB A3P 0.01548 0.41077
211 1AUX AGS 0.01875 0.40988
212 4GBM A3P 0.0108 0.40918
213 3ZQ6 ADP ALF 6.501e-05 0.40686
214 1R2Q GNP 0.0003076 0.40649
215 1BO4 COA 0.04016 0.40634
216 1W4R TTP 0.007165 0.40624
217 2YOH WMJ 0.004737 0.40613
218 1W4R TTP 0.006448 0.40562
219 1LH0 ORO 0.02679 0.40545
220 1MH1 GNP 7.049e-05 0.40539
221 3ZPG 5GP 0.04196 0.40417
222 3R4S SIA 0.04531 0.40318
223 3ZQ6 ADP ALF 0.0001196 0.40294
224 2BEK ATP 0.002647 0.40212
225 4NE2 ADP 0.004052 0.40185
226 4K81 GTP 9.889e-05 0.40177
227 1CM0 COA 0.037 0.40157
228 4K81 GTP 0.0001047 0.40128
229 4NE2 ADP 0.003693 0.40116
230 1IHU ADP 2.745e-05 0.40115
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