Receptor
PDB id Resolution Class Description Source Keywords
1A82 1.8 Å EC: 6.3.3.3 DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX WITH ATP AND DIAMINOPELARGONIC ACID ESCHERICHIA COLI PHOSPHORYL TRANSFER BIOTIN BIOSYNTHESIS LIGASE
Ref.: SNAPSHOT OF A PHOSPHORYLATED SUBSTRATE INTERMEDIATE KINETIC CRYSTALLOGRAPHY. PROC.NATL.ACAD.SCI.USA V. 95 5495 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:802;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
DNN A:801;
Valid;
none;
submit data
188.267 C9 H20 N2 O2 C[C@@...
MG A:901;
Part of Protein;
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 4 families.
1 1DAK - DPU C10 H21 N2 O7 P C[C@@H]([C....
2 1A82 - DNN C9 H20 N2 O2 C[C@@H]([C....
3 1DAI - DSD C10 H20 N2 O4 C[C@@H]([C....
4 1DAH - DNN C9 H20 N2 O2 C[C@@H]([C....
5 1BS1 - DAA C10 H19 Al F3 N2 O4 C[C@@H]([C....
6 1DAF - DSD C10 H20 N2 O4 C[C@@H]([C....
7 1DAM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 1DAE - IKT C11 H21 N O4 C[C@@H]([C....
9 1DAD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 1DAG - DSD C10 H20 N2 O4 C[C@@H]([C....
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 C[C@@H]([C....
2 1A82 - DNN C9 H20 N2 O2 C[C@@H]([C....
3 1DAI - DSD C10 H20 N2 O4 C[C@@H]([C....
4 1DAH - DNN C9 H20 N2 O2 C[C@@H]([C....
5 1BS1 - DAA C10 H19 Al F3 N2 O4 C[C@@H]([C....
6 1DAF - DSD C10 H20 N2 O4 C[C@@H]([C....
7 1DAM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 1DAE - IKT C11 H21 N O4 C[C@@H]([C....
9 1DAD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 1DAG - DSD C10 H20 N2 O4 C[C@@H]([C....
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 C[C@@H]([C....
2 1A82 - DNN C9 H20 N2 O2 C[C@@H]([C....
3 1DAI - DSD C10 H20 N2 O4 C[C@@H]([C....
4 1DAH - DNN C9 H20 N2 O2 C[C@@H]([C....
5 1BS1 - DAA C10 H19 Al F3 N2 O4 C[C@@H]([C....
6 1DAF - DSD C10 H20 N2 O4 C[C@@H]([C....
7 1DAM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 1DAE - IKT C11 H21 N O4 C[C@@H]([C....
9 1DAD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 1DAG - DSD C10 H20 N2 O4 C[C@@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 404
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 SAP 0.84 0.945946
10 AGS 0.84 0.945946
11 AN2 0.810811 0.985915
12 25L 0.809524 0.985915
13 APR 0.802632 0.971831
14 AR6 0.802632 0.971831
15 M33 0.8 0.958333
16 TAT 0.794872 0.958904
17 ACQ 0.794872 0.972222
18 AD9 0.792208 0.972222
19 ACP 0.789474 0.972222
20 A 0.788732 0.971429
21 AMP 0.788732 0.971429
22 ANP 0.772152 0.972222
23 ADX 0.753247 0.873418
24 CA0 0.753247 0.945205
25 A22 0.746988 0.985915
26 50T 0.74359 0.958333
27 APC 0.734177 0.958904
28 PRX 0.734177 0.893333
29 ABM 0.733333 0.917808
30 ATF 0.731707 0.958904
31 ITT 0.730769 0.943662
32 7D4 0.730769 0.905405
33 ADQ 0.729412 0.945205
34 AMP MG 0.72 0.891892
35 AP2 0.714286 0.958904
36 A12 0.714286 0.958904
37 A1R 0.709302 0.907895
38 SRA 0.706667 0.918919
39 5AL 0.698795 0.931507
40 OAD 0.693182 0.945205
41 ADP MG 0.6875 0.905405
42 AU1 0.6875 0.972222
43 SRP 0.682353 0.906667
44 G5P 0.680851 0.921053
45 BEF ADP 0.679012 0.881579
46 ADP BEF 0.679012 0.881579
47 25A 0.678161 0.971831
48 3OD 0.677778 0.945205
49 4AD 0.670455 0.92
50 G3A 0.670213 0.921053
51 00A 0.662921 0.883117
52 ADV 0.662651 0.932432
53 ADP PO3 0.662651 0.943662
54 RBY 0.662651 0.932432
55 BIS 0.659341 0.933333
56 5SV 0.659091 0.848101
57 8QN 0.659091 0.931507
58 OOB 0.659091 0.931507
59 GTA 0.65625 0.886076
60 ATP MG 0.654762 0.905405
61 UP5 0.653061 0.92
62 AMO 0.651685 0.932432
63 PAJ 0.651685 0.884615
64 2A5 0.650602 0.918919
65 MAP 0.647727 0.945946
66 3AT 0.647059 0.971831
67 AHX 0.644444 0.896104
68 DLL 0.644444 0.931507
69 PAP 0.642857 0.985714
70 ATR 0.642857 0.971429
71 PTJ 0.641304 0.896104
72 7D3 0.6375 0.905405
73 3UK 0.637363 0.918919
74 SON 0.634146 0.932432
75 A4P 0.633663 0.843373
76 ALF ADP 0.632184 0.87013
77 ADP ALF 0.632184 0.87013
78 LAD 0.630435 0.860759
79 WAQ 0.630435 0.883117
80 PR8 0.630435 0.85
81 AFH 0.628866 0.884615
82 DTP 0.627907 0.905405
83 GAP 0.627907 0.893333
84 ANP MG 0.625 0.894737
85 VO4 ADP 0.625 0.931507
86 ADP VO4 0.625 0.931507
87 1ZZ 0.623656 0.839506
88 TXA 0.623656 0.932432
89 FYA 0.623656 0.905405
90 ME8 0.623656 0.839506
91 NB8 0.623656 0.896104
92 T5A 0.621359 0.841463
93 RAB 0.619718 0.84507
94 ADN 0.619718 0.84507
95 XYA 0.619718 0.84507
96 9SN 0.610526 0.871795
97 48N 0.61 0.896104
98 AP0 0.607843 0.896104
99 FA5 0.604167 0.906667
100 YAP 0.604167 0.894737
101 TXD 0.60396 0.907895
102 6V0 0.60396 0.896104
103 NXX 0.60396 0.932432
104 NAI 0.60396 0.907895
105 DND 0.60396 0.932432
106 NAX 0.60396 0.873418
107 ADP BMA 0.602151 0.918919
108 A2R 0.6 0.985915
109 OMR 0.598039 0.851852
110 TXE 0.598039 0.907895
111 XAH 0.597938 0.839506
112 DAL AMP 0.593407 0.905405
113 7DT 0.593023 0.985714
114 AOC 0.592593 0.821918
115 4UV 0.591837 0.894737
116 DDS 0.590909 0.878378
117 139 0.590476 0.873418
118 CNA 0.584906 0.932432
119 6AD 0.58427 0.909091
120 5AS 0.583333 0.77907
121 5N5 0.581081 0.819444
122 4UU 0.58 0.894737
123 4TC 0.576923 0.896104
124 ADJ 0.575472 0.851852
125 5CD 0.573333 0.805556
126 A4D 0.573333 0.819444
127 RGT 0.571429 0.958904
128 A3P 0.571429 0.971429
129 7D5 0.56962 0.878378
130 LAQ 0.568627 0.839506
131 YLP 0.563107 0.819277
132 A A 0.5625 0.944444
133 UPA 0.561905 0.907895
134 AV2 0.56044 0.917808
135 COD 0.559633 0.811765
136 4UW 0.557692 0.860759
137 JB6 0.556701 0.883117
138 3AM 0.555556 0.929577
139 ATP A A A 0.555556 0.930556
140 A2P 0.552941 0.957143
141 TYM 0.552381 0.906667
142 NA7 0.552083 0.958904
143 EP4 0.551282 0.753247
144 MYR AMP 0.55102 0.817073
145 PPS 0.549451 0.873418
146 YLB 0.54717 0.819277
147 YLC 0.54717 0.839506
148 NAD 0.545455 0.931507
149 DAT 0.545455 0.905405
150 G5A 0.544444 0.77907
151 M2T 0.544304 0.734177
152 DTA 0.544304 0.786667
153 3DH 0.54321 0.773333
154 128 0.542857 0.776471
155 AHZ 0.538462 0.817073
156 SSA 0.537634 0.8
157 GTP 0.537634 0.92
158 MTA 0.5375 0.773333
159 IOT 0.537037 0.831325
160 A3D 0.535714 0.918919
161 TYR AMP 0.534653 0.881579
162 AR6 AR6 0.533981 0.917808
163 7MD 0.533981 0.8625
164 YLA 0.53211 0.819277
165 AMP DBH 0.529412 0.893333
166 IMO 0.529412 0.929577
167 TAD 0.528846 0.884615
168 AYB 0.527273 0.809524
169 A5A 0.526882 0.807229
170 TSB 0.526316 0.819277
171 EAD 0.525424 0.873418
172 2AM 0.52439 0.943662
173 6RE 0.52381 0.759494
174 7DD 0.522727 0.985714
175 V3L 0.521739 0.971831
176 AVV 0.520833 0.896104
177 BTX 0.517857 0.841463
178 NAE 0.517241 0.894737
179 54H 0.515789 0.788235
180 VMS 0.515789 0.788235
181 52H 0.515789 0.77907
182 NSS 0.515464 0.8
183 BT5 0.513274 0.831325
184 NAQ 0.512821 0.871795
185 ZAS 0.511905 0.766234
186 A3N 0.511628 0.786667
187 J7C 0.511628 0.769231
188 5X8 0.511111 0.763158
189 53H 0.510417 0.77907
190 5CA 0.510417 0.8
191 ARU 0.510204 0.860759
192 ARG AMP 0.509434 0.829268
193 AF3 ADP 3PG 0.509259 0.8375
194 LA8 ALF 3PG 0.509259 0.8375
195 ALF ADP 3PG 0.509259 0.8375
196 ZID 0.508475 0.918919
197 P1H 0.508197 0.851852
198 OVE 0.505882 0.905405
199 S4M 0.505747 0.666667
200 LPA AMP 0.504673 0.817073
201 7MC 0.504587 0.841463
202 DZD 0.5 0.884615
203 LSS 0.5 0.761364
204 DSZ 0.5 0.8
205 P5A 0.5 0.744444
206 DSH 0.5 0.725
207 FB0 0.5 0.804598
208 MAO 0.5 0.759036
209 NDE 0.495935 0.932432
210 N0B 0.495798 0.819277
211 M24 0.495726 0.85
212 YLY 0.495726 0.809524
213 NJP 0.495575 0.945946
214 NVA LMS 0.494949 0.761364
215 MGP 0.494737 0.884615
216 6C6 0.494624 0.881579
217 NAJ PZO 0.491379 0.848101
218 0WD 0.491228 0.921053
219 LEU LMS 0.49 0.761364
220 6G0 0.489583 0.884615
221 GJV 0.488636 0.75
222 6FA 0.488189 0.841463
223 5AD 0.486842 0.746479
224 GSU 0.485149 0.77907
225 KAA 0.485149 0.752809
226 71V 0.483146 0.907895
227 NEC 0.482759 0.746667
228 A3G 0.482759 0.8
229 NAD IBO 0.482456 0.87013
230 ODP 0.482456 0.909091
231 FAS 0.48062 0.851852
232 FAD 0.48062 0.851852
233 7D7 0.480519 0.743243
234 FDA 0.480315 0.833333
235 N6P 0.48 0.915493
236 2SA 0.479167 0.932432
237 GP3 0.478723 0.921053
238 4TA 0.478261 0.807229
239 G A A A 0.478261 0.871795
240 SFG 0.478261 0.75
241 NPW 0.477876 0.886076
242 NDP 0.477876 0.921053
243 NDC 0.47619 0.871795
244 YSA 0.47619 0.77907
245 MGO 0.474227 0.860759
246 6IA 0.473684 0.8375
247 TXP 0.473684 0.921053
248 GDP 0.473684 0.92
249 NZQ 0.473684 0.909091
250 A7D 0.472527 0.776316
251 SFD 0.469231 0.734043
252 ZDA 0.468085 0.864865
253 SA8 0.468085 0.707317
254 A5D 0.468085 0.786667
255 12D 0.46789 0.785714
256 PGS 0.467391 0.883117
257 MHZ 0.467391 0.697674
258 62F 0.466165 0.8625
259 DA 0.465909 0.878378
260 D5M 0.465909 0.878378
261 GGZ 0.464646 0.825
262 SAH 0.463158 0.74359
263 SAI 0.463158 0.734177
264 NAJ PYZ 0.46281 0.85
265 FAY 0.462687 0.8625
266 Y3J 0.4625 0.726027
267 PO4 PO4 A A A A PO4 0.460784 0.902778
268 AAM 0.460674 0.971429
269 RFL 0.459259 0.821429
270 SMM 0.459184 0.686047
271 AMZ 0.458824 0.916667
272 C2R 0.458824 0.90411
273 SAM 0.458333 0.690476
274 A3S 0.456522 0.810811
275 FNK 0.455224 0.804598
276 7C5 0.453704 0.818182
277 AAT 0.453608 0.707317
278 EEM 0.453608 0.690476
279 XNP 0.452991 0.873418
280 AIR 0.451219 0.901408
281 62X 0.45098 0.666667
282 GSP 0.45 0.873418
283 ETB 0.45 0.833333
284 DCA 0.45 0.823529
285 U A G G 0.449153 0.883117
286 NIA 0.448276 0.822785
287 AMP NAD 0.447154 0.881579
288 A3T 0.446809 0.821918
289 K15 0.446602 0.682353
290 A A A 0.446602 0.905405
291 PUA 0.446281 0.884615
292 6K6 0.445545 0.930556
293 GEK 0.445545 0.7375
294 4YB 0.445455 0.761364
295 S7M 0.444444 0.690476
296 DG1 0.443548 0.921053
297 1DG 0.443548 0.921053
298 Z5A 0.443548 0.77907
299 COA 0.442623 0.823529
300 0T1 0.442623 0.823529
301 WSA 0.442478 0.788235
302 8BR 0.43956 0.906667
303 101 0.438202 0.878378
304 IDP 0.4375 0.918919
305 NAP 0.435484 0.945205
306 APU 0.434783 0.894737
307 A U 0.434783 0.87013
308 7RP 0.433333 0.928571
309 A6D 0.432692 0.722892
310 CAO 0.432 0.795455
311 AMX 0.432 0.833333
312 COS 0.432 0.804598
313 TAP 0.432 0.907895
314 J7V 0.432 0.833333
315 30N 0.432 0.752688
316 V1N 0.431193 0.917808
317 649 0.429825 0.744444
318 P5F 0.429577 0.823529
319 NA0 0.428571 0.932432
320 CMX 0.428571 0.823529
321 7RA 0.428571 0.957747
322 SCO 0.428571 0.823529
323 0UM 0.427184 0.698795
324 GAV 0.427184 0.884615
325 ACK 0.426966 0.861111
326 1RB 0.426966 0.885714
327 QQY 0.426966 0.815789
328 GCP 0.425743 0.896104
329 G1R 0.425743 0.907895
330 FAM 0.425197 0.804598
331 FCX 0.425197 0.795455
332 ACO 0.425197 0.795455
333 GNH 0.424242 0.907895
334 F2N 0.423611 0.813953
335 GDC 0.422018 0.884615
336 GDD 0.422018 0.884615
337 GKE 0.422018 0.884615
338 HAX 0.421875 0.804598
339 3AD 0.421687 0.805556
340 GNP 0.421569 0.896104
341 FA9 0.42069 0.864198
342 KB1 0.420561 0.698795
343 TM1 0.420561 0.77381
344 H6Y 0.42 0.945205
345 2MC 0.419847 0.769231
346 3KK 0.418605 0.804598
347 FYN 0.418605 0.823529
348 S8M 0.417476 0.759494
349 2VA 0.416667 0.8
350 NHD 0.416667 0.905405
351 26A 0.416667 0.763158
352 QQX 0.41573 0.805195
353 SOP 0.415385 0.804598
354 OXK 0.415385 0.804598
355 COK 0.415385 0.804598
356 MCD 0.415385 0.804598
357 CA6 0.415385 0.729167
358 YE1 0.413534 0.813953
359 FAI 0.413043 0.916667
360 AS 0.413043 0.833333
361 RMB 0.413043 0.873239
362 1VU 0.412214 0.795455
363 CO6 0.412214 0.804598
364 CMC 0.412214 0.804598
365 NMX 0.412214 0.76087
366 SXZ 0.411215 0.710843
367 ANZ 0.410714 0.8
368 SCA 0.410448 0.804598
369 PLP AAD 0.409836 0.741573
370 SCD 0.409091 0.823529
371 CAJ 0.409091 0.804598
372 NAD BBN 0.408759 0.841463
373 NVA 2AD 0.408163 0.74359
374 D3Y 0.407767 0.789474
375 CC5 0.407407 0.816901
376 U G A 0.407407 0.839506
377 KH3 0.40708 0.674419
378 SLU 0.406504 0.770115
379 G 0.40625 0.906667
380 5GP 0.40625 0.906667
381 BCO 0.406015 0.804598
382 IVC 0.406015 0.813953
383 A1S 0.406015 0.804598
384 MLC 0.406015 0.804598
385 3HC 0.406015 0.813953
386 1HE 0.406015 0.786517
387 GTG 0.405405 0.886076
388 NMN AMP PO4 0.404959 0.87013
389 3D1 0.404762 0.773333
390 3L1 0.404762 0.773333
391 CMP 0.404255 0.901408
392 2BA 0.404255 0.915493
393 SO8 0.40404 0.789474
394 VRT 0.40404 0.769231
395 MCA 0.402985 0.795455
396 CAA 0.402985 0.813953
397 COO 0.402985 0.804598
398 NAD CJ3 0.402878 0.811765
399 G2R 0.401869 0.884615
400 3NZ 0.401869 0.782051
401 ZZB 0.4 0.77381
402 MC4 0.4 0.76087
403 2FA 0.4 0.813333
404 2CP 0.4 0.795455
Ligand no: 2; Ligand: DNN; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 DNN 1 1
2 IKT 0.571429 0.774194
3 DSD 0.55814 0.756757
4 KAP 0.5 0.75
5 NPI 0.45 0.6875
6 SHV 0.444444 0.6
7 ACA 0.432432 0.677419
8 011 0.421053 0.65625
9 8AC 0.410256 0.65625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DAK; Ligand: DPU; Similar sites found: 248
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) Sequence Similarity
1 3S9K CIT 0.00305 0.49507 None
2 4LPS GDP 0.00146 0.47659 None
3 3F8C HT1 0.01169 0.42926 None
4 2MSB NAG BMA MAN MAN MAN MAN MAN 0.02378 0.42873 None
5 1YRX FMN 0.003239 0.42605 None
6 1LNX URI 0.01153 0.4246 None
7 2IYG FMN 0.005977 0.42358 None
8 3H86 AP5 0.00006701 0.42064 None
9 3KPE TM3 0.02617 0.41754 None
10 4FFS BIG 0.001647 0.41488 None
11 2E1A MSE 0.01538 0.4145 None
12 4F4S EFO 0.02601 0.40849 None
13 1W4R TTP 0.007165 0.40624 None
14 2ZTS ADP 0.01139 0.41704 1.19522
15 1JI0 ATP 0.0002301 0.5367 1.33929
16 1Z6T ADP 0.0007719 0.47617 1.33929
17 2QCX PF1 0.007153 0.43924 1.33929
18 3ZQ6 ADP ALF 0.00006501 0.40686 1.33929
19 4DKX GDP 0.0002769 0.51924 1.38889
20 2Y8E GNP 0.0001365 0.48486 1.67598
21 3NHB ADP 0.001082 0.50316 1.78571
22 1G7S GDP 0.0004577 0.50222 1.78571
23 1Z2A GDP 0.0007634 0.46012 1.78571
24 1G6O ADP 0.002832 0.45746 1.78571
25 1Z44 NPO 0.03986 0.43872 1.78571
26 1AUX AGS 0.01875 0.40988 1.78571
27 1J2J GTP 0.0001932 0.48649 1.80723
28 2J59 GTP 0.0001954 0.48628 1.80723
29 1S9D GDP 0.001241 0.48018 1.82927
30 2Y7P SAL 0.0008889 0.47501 1.83486
31 3A2Y TS5 0.01034 0.40273 2.03046
32 3REF GDP 0.000192 0.49091 2.06186
33 1Y9Q MED 0.03176 0.41344 2.08333
34 1YZN GNP 0.000123 0.48284 2.16216
35 1M7B GTP 0.00006707 0.51634 2.17391
36 3CXQ GLP 0.0467 0.40084 2.17391
37 3WY9 GDP 0.0001093 0.54706 2.23214
38 3DGB MUC 0.0005795 0.46562 2.23214
39 1DBT U5P 0.002645 0.42162 2.23214
40 3QV9 QV7 0.02135 0.41695 2.23214
41 1UF5 CDT 0.01746 0.408 2.23214
42 1ZD9 GDP 0.001546 0.45771 2.65957
43 1GOJ ADP 0.00003252 0.59137 2.67857
44 3MAG 3MA 0.0002931 0.55126 2.67857
45 2ZFI ADP 0.0002056 0.52597 2.67857
46 4QOS ADP 0.0007953 0.48493 2.67857
47 2FNA ADP 0.0004892 0.47262 2.67857
48 3BFX A3P 0.003189 0.44299 2.67857
49 3LTW HLZ 0.02665 0.41716 2.67857
50 3OCZ SRA 0.005233 0.4141 2.67857
51 3MAG SAH 0.005417 0.40658 2.67857
52 1SB8 UD2 0.0003117 0.40293 2.67857
53 3KTA AP5 0.004683 0.44257 2.74725
54 1IBR GNP 0.000645 0.45268 2.77778
55 3BY8 MLT 0.02694 0.42209 2.8169
56 4V0K GDP 0.007808 0.41259 2.95858
57 2NCD ADP 0.0001122 0.55746 3.125
58 1SQ5 ADP 0.00005253 0.55003 3.125
59 2WKQ GTP 0.0001649 0.48954 3.125
60 4M9Q GNP 0.0002555 0.48532 3.125
61 1TQ4 GDP 0.0006946 0.46977 3.125
62 4JWX 1N4 0.001428 0.4657 3.125
63 1SQ5 PAU 0.002224 0.457 3.125
64 3FW3 GLC 0.02273 0.44735 3.125
65 5DI3 GNP 0.01284 0.43538 3.125
66 1YTM ATP 0.003959 0.43507 3.125
67 4IXW IXW 0.006316 0.43154 3.125
68 3T34 GDP 0.008791 0.41316 3.125
69 1EJE FMN 0.005267 0.41043 3.125
70 1NYT NAP 0.001477 0.41003 3.125
71 2X77 GDP 0.001086 0.48312 3.1746
72 1GXU 2HP 0.001505 0.46359 3.2967
73 2Q37 3AL 0.009392 0.4337 3.31492
74 1ULE GLA GAL NAG 0.005638 0.46309 3.33333
75 4F8L GAL 0.004065 0.49729 3.44828
76 5UWQ GNP 0.01403 0.42309 3.4965
77 5UWJ GNP 0.01544 0.42116 3.4965
78 1TUV VK3 0.03927 0.42503 3.50877
79 2F9L GDP 0.0008479 0.45811 3.51759
80 2WIC GNP 0.000061 0.54673 3.57143
81 4J0Q GDP 0.0002074 0.53225 3.57143
82 2C78 GNP 0.00007685 0.50881 3.57143
83 5JCP GDP ALF 0.002355 0.48273 3.57143
84 1U8Z GDP 0.0005053 0.46804 3.57143
85 1F5N GNP 0.0008188 0.44833 3.57143
86 4IEE AGS 0.01485 0.43326 3.57143
87 1M5B BN1 0.0001279 0.41662 3.57143
88 2C31 ADP 0.0007817 0.40486 3.57143
89 1Y42 TYR 0.03161 0.40461 3.57143
90 1EYE PMM 0.0197 0.40199 3.57143
91 3GJ0 GDP 0.001523 0.48072 3.61991
92 3GJ8 GDP 0.00157 0.47498 3.61991
93 1C1L GAL BGC 0.01841 0.43042 3.64964
94 3ZS9 ADP ALF 0.0001097 0.48492 3.67232
95 2VOH CIT 0.01285 0.44477 3.82166
96 1QD0 RR6 0.005571 0.42485 3.90625
97 2IYL GDP 0.0002518 0.5214 4.01786
98 3PCR GTP 0.0003127 0.47725 4.01786
99 2C04 GCP 0.002979 0.44817 4.01786
100 4CCO OGA 0.003898 0.44596 4.01786
101 4COQ SAN 0.00723 0.44466 4.01786
102 4FMS BDP 0.02353 0.42827 4.01786
103 1G0N PHH 0.00006822 0.4089 4.01786
104 1R2Q GNP 0.0003076 0.40649 4.11765
105 1BO4 COA 0.04016 0.40634 4.16667
106 3CF6 SP1 0.01192 0.40374 4.19162
107 1Z06 GNP 0.00001542 0.41174 4.2328
108 3KJQ B94 0.006126 0.42314 4.26829
109 3LRE ADP 0.0000626 0.57383 4.46429
110 4OHY ANP 0.0001347 0.48917 4.46429
111 2F2U M77 0.01756 0.40789 4.46429
112 2BEK ATP 0.002647 0.40212 4.46429
113 1TX4 ALF GDP 0.0002534 0.48129 4.51977
114 4LHW GNP 0.0002153 0.47642 4.5977
115 3PQC GDP 0.000233 0.51145 4.61538
116 1FW1 GSH 0.004144 0.4259 4.62963
117 4CVN ADP 0.0000883 0.55941 4.71204
118 1CM0 COA 0.037 0.40157 4.7619
119 2WJG GDP 0.0001173 0.53866 4.78723
120 3U6B GDP 0.0001222 0.54448 4.91071
121 2BVN GNP 0.0000527 0.53753 4.91071
122 3U6K GDP 0.0003249 0.51563 4.91071
123 4HSE ADP 0.0004409 0.50304 4.91071
124 1I0Z OXM 0.006803 0.46633 4.91071
125 4R43 GDP 0.01196 0.46088 4.91071
126 1G4U AF3 0.005221 0.45916 4.91071
127 3P3N AKG 0.005232 0.45144 4.91071
128 1G4U GDP 0.002562 0.44744 4.91071
129 1O0S NAI 0.0008993 0.42381 4.91071
130 1V5F FAD 0.002508 0.41666 4.91071
131 1V5F TPP 0.002508 0.41666 4.91071
132 4LHM AZZ 0.02838 0.41112 4.91071
133 4GBM A3P 0.0108 0.40918 4.91071
134 1TU3 GNP 0.00004064 0.41259 5.06329
135 4LC1 GDP 0.0004121 0.51026 5.35714
136 3MJH GTP 0.00005498 0.50169 5.35714
137 4P4T GDP 0.0009374 0.46788 5.35714
138 4WZA ACP 0.0003071 0.44148 5.35714
139 4KOA NDP 0.001359 0.43655 5.35714
140 4WZA ADP 0.000457 0.43531 5.35714
141 5VGR GDP 0.03054 0.42487 5.35714
142 5IRR GSP 0.02215 0.42367 5.35714
143 3PLN U5P 0.01948 0.41423 5.35714
144 3NFZ 3NF 0.01011 0.41409 5.35714
145 2QLX RM4 0.01576 0.43381 5.55556
146 2Z9V PXM 0.001174 0.46955 5.80357
147 2O2C G6Q 0.001076 0.44488 5.80357
148 2C9O ADP 0.002548 0.44387 5.80357
149 3R7F CP 0.01278 0.4437 5.80357
150 1FNN ADP 0.006275 0.42921 5.80357
151 3R4S SIA 0.04531 0.40318 5.80357
152 2FYU FDN 0.008581 0.40248 5.80357
153 3F81 STT 0.005062 0.47325 6.01093
154 2JGS BTN 0.03772 0.40313 6.15385
155 1WDT GTP 0.0005711 0.47794 6.25
156 4E28 0MZ 0.005264 0.44547 6.25
157 3FVQ ATP 0.008146 0.42066 6.25
158 2BH9 NAP 0.008538 0.40947 6.25
159 3ZPG 5GP 0.04196 0.40417 6.25
160 2XVE FAD 0.0005179 0.40392 6.25
161 2PP3 LGT 0.01767 0.40037 6.25
162 3QBT GNP 0.00005745 0.50088 6.42857
163 1Z0J GTP 0.00009818 0.48694 6.47059
164 2QQ0 ADP 0.0009392 0.40155 6.52174
165 2W83 GTP 0.0001661 0.4894 6.66667
166 2YOH WMJ 0.004737 0.40613 6.66667
167 4AG5 ADP 0.0002969 0.53177 6.69643
168 2DPY ADP 0.0002904 0.53118 6.69643
169 2OM2 GDP 0.002291 0.44599 6.69643
170 4H1V GNP 0.004211 0.44099 6.69643
171 2C5S AMP 0.004572 0.43771 6.69643
172 3KMT SAH 0.00381 0.42737 6.72269
173 3N5C GDP 0.0004143 0.51014 6.79012
174 5BQ5 ADP BEF 0.02229 0.43845 6.87831
175 1GP2 GDP 0.003573 0.43048 7.04225
176 3TKL GTP 0.00004804 0.50861 7.14286
177 1V6A TRE 0.0004059 0.49741 7.14286
178 3U7Y FLC 0.006355 0.48906 7.14286
179 1G8S MET 0.004318 0.45547 7.14286
180 4ISS TAR 0.01741 0.43728 7.14286
181 2GJN FMN 0.001551 0.40935 7.14286
182 2A5J GDP 0.0003212 0.50452 7.32984
183 2XG5 EC5 0.02051 0.42582 7.33945
184 1GUA GNP 0.0003299 0.46488 7.40741
185 3UEC ALA ARG TPO LYS 0.004006 0.4636 7.53425
186 3EZ2 ADP 0.0005646 0.50907 7.58929
187 1PEA ACM 0.001733 0.48963 7.58929
188 4RJK PYR 0.002419 0.48213 7.58929
189 1CS4 GSP 0.001033 0.44094 7.58929
190 1QO0 BMD 0.02573 0.41791 7.58929
191 4K81 GTP 0.0001047 0.40128 7.58929
192 2HF9 GSP 0.00001739 0.55477 8.03571
193 1OBV FMN 0.008616 0.41954 8.28402
194 2CK3 ANP 0.001238 0.46223 8.48214
195 3A1I UNU 0.001584 0.45256 8.48214
196 2CK3 ADP 0.001597 0.44596 8.48214
197 3RF4 FUN 0.0009743 0.47321 8.62069
198 3T12 GDP ALF 0.0004495 0.47428 8.82353
199 1FQJ ALF 0.00498 0.46521 8.84354
200 1FQK ALF 0.01382 0.43982 8.84354
201 1FQJ GDP 0.005916 0.42078 8.84354
202 1FQK GDP 0.007928 0.41515 8.84354
203 3FKQ ATP 0.004694 0.43873 8.92857
204 3SHR CMP 0.01306 0.41342 8.92857
205 2GJ8 ALF GDP 0.01213 0.42601 9.30233
206 1RZM E4P 0.0121 0.43957 9.375
207 1RZM PEP 0.006972 0.43453 9.375
208 1WA5 GTP 0.001108 0.43091 9.375
209 1WDA BAG 0.01441 0.41575 9.375
210 4NE2 ADP 0.004052 0.40185 9.375
211 1SS4 GSH 0.001257 0.53225 9.80392
212 1SS4 CIT 0.003448 0.50952 9.80392
213 4TMZ GSP 0.0001543 0.49081 10.2679
214 5E95 GDP 0.01382 0.44286 10.3093
215 1JJ7 ADP 0.0003899 0.52493 10.7143
216 1QHH ATP 0.02157 0.41689 10.7784
217 1N9L FMN 0.007275 0.40517 11.0092
218 1WQ1 AF3 0.004516 0.46737 11.1607
219 5TAR GDP 0.006112 0.46496 11.1607
220 3I8P 840 0.002818 0.42843 11.1607
221 4NON GDP 0.002332 0.42636 11.1607
222 1WQ1 GDP 0.005219 0.4232 11.1607
223 1W7J ADP BEF 0.0009601 0.47165 11.2583
224 4HI0 GDP 0.001865 0.45009 11.5578
225 3A1S GDP 0.00008491 0.53942 11.6071
226 3B9Q MLI 0.005155 0.4651 11.6071
227 5L3R GCP 0.006797 0.44306 11.6071
228 3LXR GDP 0.001088 0.47814 11.9792
229 1IHU ADP 0.00002745 0.40115 12.0536
230 4BQS ADP 0.0009671 0.49098 12.5
231 2BCG GDP 0.0008628 0.46956 13.3929
232 1T0S BML 0.01232 0.44546 13.3929
233 1Z08 GNP 0.001308 0.44978 13.5294
234 1LH0 ORO 0.02679 0.40545 13.615
235 1MXI SAH 0.004401 0.41335 13.75
236 2G77 AF3 0.0003015 0.53355 14.2857
237 2G77 GDP 0.0001959 0.50459 14.2857
238 1HE1 AF3 0.002843 0.47704 14.8148
239 1HE1 GDP 0.004701 0.43165 14.8148
240 2V5E SCR 0.02544 0.44236 14.8515
241 2CBZ ATP 0.00001114 0.62312 16.0714
242 3BER AMP 0.005407 0.45204 16.5179
243 1UDB NAD 0.0002175 0.40601 16.9643
244 1UDB UFG 0.0002175 0.40601 16.9643
245 1YOA FMN 0.0186 0.4584 23.8994
246 1YOA FAD 0.004435 0.40328 23.8994
247 1G3Q ADP 0.000008505 0.59024 25
248 1O9U ADZ 0.001783 0.49764 27.7778
Pocket No.: 2; Query (leader) PDB : 1DAK; Ligand: ADP; Similar sites found: 156
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) Sequence Similarity
1 3S9K CIT 0.00305 0.49507 None
2 3F8C HT1 0.01169 0.42926 None
3 1YRX FMN 0.003239 0.42605 None
4 1LNX URI 0.01153 0.4246 None
5 2IYG FMN 0.005977 0.42358 None
6 3H86 AP5 0.00006701 0.42064 None
7 3KPE TM3 0.02617 0.41754 None
8 4FFS BIG 0.001647 0.41488 None
9 2E1A MSE 0.01538 0.4145 None
10 4F4S EFO 0.02601 0.40849 None
11 1JI0 ATP 0.03861 0.43955 1.33929
12 2QCX PF1 0.007153 0.43924 1.33929
13 4DKX GDP 0.005059 0.48191 1.38889
14 2Y8E GNP 0.008809 0.43501 1.67598
15 1G7S GDP 0.007239 0.4689 1.78571
16 1Z44 NPO 0.03986 0.43872 1.78571
17 1Z2A GDP 0.03154 0.41358 1.78571
18 1J2J GTP 0.009392 0.43916 1.80723
19 1S9D GDP 0.04323 0.4259 1.82927
20 2Y7P SAL 0.0008889 0.47501 1.83486
21 3A2Y TS5 0.01034 0.40273 2.03046
22 3REF GDP 0.006233 0.45082 2.06186
23 1Y9Q MED 0.03176 0.41344 2.08333
24 1YZN GNP 0.01171 0.42672 2.16216
25 3CXQ GLP 0.0467 0.40084 2.17391
26 3WY9 GDP 0.005853 0.48301 2.23214
27 3DGB MUC 0.0005795 0.46562 2.23214
28 1DBT U5P 0.002645 0.42162 2.23214
29 3QV9 QV7 0.02135 0.41695 2.23214
30 1UF5 CDT 0.01746 0.408 2.23214
31 3MAG 3MA 0.0002931 0.55126 2.67857
32 4QOS ADP 0.03246 0.42955 2.67857
33 3LTW HLZ 0.02665 0.41716 2.67857
34 3OCZ SRA 0.005233 0.4141 2.67857
35 3MAG SAH 0.005417 0.40658 2.67857
36 1SB8 UD2 0.0003117 0.40293 2.67857
37 3BY8 MLT 0.02694 0.42209 2.8169
38 4V0K GDP 0.04619 0.41274 2.95858
39 4JWX 1N4 0.001428 0.4657 3.125
40 1SQ5 PAU 0.002224 0.457 3.125
41 1SQ5 ADP 0.001067 0.45464 3.125
42 2NCD ADP 0.003662 0.45283 3.125
43 4M9Q GNP 0.006725 0.4492 3.125
44 3FW3 GLC 0.02273 0.44735 3.125
45 5DI3 GNP 0.01284 0.43538 3.125
46 4IXW IXW 0.006316 0.43154 3.125
47 1YTM ATP 0.0436 0.41148 3.125
48 1EJE FMN 0.005267 0.41043 3.125
49 1NYT NAP 0.001477 0.41003 3.125
50 2Q37 3AL 0.009392 0.4337 3.31492
51 1ULE GLA GAL NAG 0.005638 0.46309 3.33333
52 4F8L GAL 0.004065 0.49729 3.44828
53 5UWQ GNP 0.01403 0.42309 3.4965
54 5UWJ GNP 0.01544 0.42116 3.4965
55 1TUV VK3 0.03927 0.42503 3.50877
56 2F9L GDP 0.01489 0.42947 3.51759
57 5JCP GDP ALF 0.002355 0.48273 3.57143
58 1M5B BN1 0.0001279 0.41662 3.57143
59 2C31 ADP 0.0007817 0.40486 3.57143
60 1Y42 TYR 0.03161 0.40461 3.57143
61 1EYE PMM 0.0197 0.40199 3.57143
62 3GJ0 GDP 0.00764 0.47185 3.61991
63 1C1L GAL BGC 0.01841 0.43042 3.64964
64 1QD0 RR6 0.005571 0.42485 3.90625
65 4CCO OGA 0.003898 0.44596 4.01786
66 4COQ SAN 0.00723 0.44466 4.01786
67 1G0N PHH 0.00006822 0.4089 4.01786
68 3CF6 SP1 0.01192 0.40374 4.19162
69 3KJQ B94 0.006126 0.42314 4.26829
70 3LRE ADP 0.009377 0.47658 4.46429
71 2F2U M77 0.01756 0.40789 4.46429
72 1TX4 ALF GDP 0.007585 0.44365 4.51977
73 1S8F GDP 0.000001879 0.41536 4.51977
74 4LHW GNP 0.01439 0.42501 4.5977
75 1FW1 GSH 0.004144 0.4259 4.62963
76 4CVN ADP 0.02003 0.45649 4.71204
77 3U6B GDP 0.002851 0.50093 4.91071
78 1I0Z OXM 0.006803 0.46633 4.91071
79 4R43 GDP 0.01196 0.46088 4.91071
80 3P3N AKG 0.005232 0.45144 4.91071
81 1O0S NAI 0.0008993 0.42381 4.91071
82 1V5F TPP 0.002508 0.41666 4.91071
83 1V5F FAD 0.002508 0.41666 4.91071
84 4LHM AZZ 0.02838 0.41112 4.91071
85 4P4T GDP 0.000002069 0.53767 5.35714
86 3MJH GTP 0.007452 0.43841 5.35714
87 4KOA NDP 0.001359 0.43655 5.35714
88 5VGR GDP 0.03054 0.42487 5.35714
89 5IRR GSP 0.02215 0.42367 5.35714
90 3PLN U5P 0.01948 0.41423 5.35714
91 3NFZ 3NF 0.01011 0.41409 5.35714
92 3IO3 ADP 0.00000009719 0.41331 5.35714
93 3KJI ADP 0.0000000257 0.41194 5.35714
94 2QLX RM4 0.01576 0.43381 5.55556
95 2Z9V PXM 0.001174 0.46955 5.80357
96 2O2C G6Q 0.001076 0.44488 5.80357
97 2ORV 4TA 0.0002706 0.43769 5.80357
98 2FYU FDN 0.008581 0.40248 5.80357
99 3F81 STT 0.005062 0.47325 6.01093
100 2JGS BTN 0.03772 0.40313 6.15385
101 3ZPG 5GP 0.001754 0.49802 6.25
102 4E28 0MZ 0.005264 0.44547 6.25
103 2BH9 NAP 0.008538 0.40947 6.25
104 2XVE FAD 0.0005179 0.40392 6.25
105 2PP3 LGT 0.01767 0.40037 6.25
106 3QBT GNP 0.008847 0.43492 6.42857
107 2QQ0 TMP 0.0009392 0.40155 6.52174
108 2QQ0 ADP 0.0009392 0.40155 6.52174
109 2QQ0 THM 0.001457 0.4014 6.52174
110 4AG5 ADP 0.008159 0.47963 6.69643
111 2DPY ADP 0.02079 0.45553 6.69643
112 2C5S AMP 0.004572 0.43771 6.69643
113 2OM2 GDP 0.04039 0.41069 6.69643
114 3KMT SAH 0.00381 0.42737 6.72269
115 5BQ5 ADP BEF 0.02229 0.43845 6.87831
116 1GP2 GDP 0.04637 0.40536 7.04225
117 1V6A TRE 0.0004059 0.49741 7.14286
118 3U7Y FLC 0.006355 0.48906 7.14286
119 1G8S MET 0.004318 0.45547 7.14286
120 1NVV GNP 0.0000006536 0.41701 7.14286
121 2GJN FMN 0.001551 0.40935 7.14286
122 2A5J GDP 0.007347 0.46453 7.32984
123 1GUA GNP 0.0164 0.41995 7.40741
124 3UEC ALA ARG TPO LYS 0.004006 0.4636 7.53425
125 1PEA ACM 0.001733 0.48963 7.58929
126 4RJK PYR 0.002419 0.48213 7.58929
127 1CS4 GSP 0.01543 0.41885 7.58929
128 1QO0 BMD 0.02573 0.41791 7.58929
129 3A1I UNU 0.001584 0.45256 8.48214
130 3RF4 FUN 0.0009743 0.47321 8.62069
131 3SHR CMP 0.01306 0.41342 8.92857
132 2GJ8 ALF GDP 0.01213 0.42601 9.30233
133 1RZM E4P 0.0121 0.43957 9.375
134 1RZM PEP 0.006972 0.43453 9.375
135 1WDA BAG 0.01441 0.41575 9.375
136 1WA5 GTP 0.02418 0.40382 9.375
137 1SS4 GSH 0.001257 0.53225 9.80392
138 1SS4 CIT 0.003448 0.50952 9.80392
139 5E95 GDP 0.01382 0.44286 10.3093
140 1JJ7 ADP 0.02107 0.45911 10.7143
141 1N9L FMN 0.007275 0.40517 11.0092
142 5TAR GDP 0.006112 0.46496 11.1607
143 3I8P 840 0.002818 0.42843 11.1607
144 5L3R GCP 0.006797 0.44306 11.6071
145 1T0S BML 0.01232 0.44546 13.3929
146 2BCG GDP 0.02113 0.43026 13.3929
147 1MXI SAH 0.004401 0.41335 13.75
148 1HE1 GDP 0.02759 0.42156 14.8148
149 2V5E SCR 0.02544 0.44236 14.8515
150 2CBZ ATP 0.001245 0.53413 16.0714
151 1UDB NAD 0.0002175 0.40601 16.9643
152 1UDB UFG 0.0002175 0.40601 16.9643
153 1YOA FMN 0.0186 0.4584 23.8994
154 1YOA FAD 0.004435 0.40328 23.8994
155 1G3Q ADP 0.005215 0.47673 25
156 1O9U ADZ 0.001783 0.49764 27.7778
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