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 CC(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 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: ATP; Similar ligands found: 351
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 AGS 0.84 0.945946
10 SAP 0.84 0.945946
11 25L 0.809524 0.985915
12 APR 0.802632 0.971831
13 AR6 0.802632 0.971831
14 M33 0.8 0.958333
15 TAT 0.794872 0.958904
16 ACQ 0.794872 0.972222
17 AD9 0.792208 0.972222
18 ACP 0.789474 0.972222
19 A 0.788732 0.971429
20 AMP 0.788732 0.971429
21 ANP 0.772152 0.972222
22 ADX 0.753247 0.873418
23 CA0 0.753247 0.945205
24 A22 0.746988 0.985915
25 50T 0.74359 0.958333
26 PRX 0.734177 0.893333
27 APC 0.734177 0.958904
28 ABM 0.733333 0.917808
29 ATF 0.731707 0.958904
30 ITT 0.730769 0.943662
31 ADQ 0.729412 0.945205
32 AMP MG 0.72 0.891892
33 A12 0.714286 0.958904
34 AP2 0.714286 0.958904
35 A1R 0.709302 0.907895
36 SRA 0.706667 0.918919
37 5AL 0.698795 0.931507
38 OAD 0.693182 0.945205
39 ADP MG 0.6875 0.905405
40 AU1 0.6875 0.972222
41 SRP 0.682353 0.906667
42 G5P 0.680851 0.921053
43 ADP BEF 0.679012 0.881579
44 BEF ADP 0.679012 0.881579
45 25A 0.678161 0.971831
46 3OD 0.677778 0.945205
47 4AD 0.670455 0.92
48 G3A 0.670213 0.921053
49 00A 0.662921 0.883117
50 RBY 0.662651 0.932432
51 ADV 0.662651 0.932432
52 ADP PO3 0.662651 0.943662
53 BIS 0.659341 0.933333
54 GTA 0.65625 0.886076
55 ATP MG 0.654762 0.905405
56 UP5 0.653061 0.92
57 AMO 0.651685 0.932432
58 PAJ 0.651685 0.884615
59 2A5 0.650602 0.918919
60 MAP 0.647727 0.945946
61 3AT 0.647059 0.971831
62 AHX 0.644444 0.896104
63 DLL 0.644444 0.931507
64 PAP 0.642857 0.985714
65 ATR 0.642857 0.971429
66 PTJ 0.641304 0.896104
67 SON 0.634146 0.932432
68 A4P 0.633663 0.843373
69 ALF ADP 0.632184 0.87013
70 ADP ALF 0.632184 0.87013
71 PR8 0.630435 0.85
72 LAD 0.630435 0.860759
73 AFH 0.628866 0.884615
74 GAP 0.627907 0.893333
75 DTP 0.627907 0.905405
76 ANP MG 0.625 0.894737
77 ADP VO4 0.625 0.931507
78 TXA 0.623656 0.932432
79 NB8 0.623656 0.896104
80 ME8 0.623656 0.839506
81 FYA 0.623656 0.905405
82 1ZZ 0.623656 0.839506
83 T5A 0.621359 0.841463
84 RAB 0.619718 0.84507
85 XYA 0.619718 0.84507
86 ADN 0.619718 0.84507
87 AP0 0.607843 0.896104
88 FA5 0.604167 0.906667
89 YAP 0.604167 0.894737
90 NXX 0.60396 0.932432
91 NAI 0.60396 0.907895
92 TXD 0.60396 0.907895
93 NAX 0.60396 0.873418
94 DND 0.60396 0.932432
95 ADP BMA 0.602151 0.918919
96 A2R 0.6 0.985915
97 XAH 0.597938 0.839506
98 DAL AMP 0.593407 0.905405
99 AOC 0.592593 0.821918
100 DDS 0.590909 0.878378
101 139 0.590476 0.873418
102 CNA 0.584906 0.932432
103 6AD 0.58427 0.909091
104 5AS 0.583333 0.77907
105 5N5 0.581081 0.819444
106 4TC 0.576923 0.896104
107 ADJ 0.575472 0.851852
108 A4D 0.573333 0.819444
109 5CD 0.573333 0.805556
110 RGT 0.571429 0.958904
111 A3P 0.571429 0.971429
112 LAQ 0.568627 0.839506
113 YLP 0.563107 0.819277
114 UPA 0.561905 0.907895
115 AV2 0.56044 0.917808
116 COD 0.559633 0.811765
117 3AM 0.555556 0.929577
118 ATP A A A 0.555556 0.930556
119 A2P 0.552941 0.957143
120 TYM 0.552381 0.906667
121 NA7 0.552083 0.958904
122 EP4 0.551282 0.753247
123 MYR AMP 0.55102 0.817073
124 PPS 0.549451 0.873418
125 YLB 0.54717 0.819277
126 YLC 0.54717 0.839506
127 DAT 0.545455 0.905405
128 NAD 0.545455 0.931507
129 G5A 0.544444 0.77907
130 DTA 0.544304 0.786667
131 M2T 0.544304 0.734177
132 3DH 0.54321 0.773333
133 128 0.542857 0.776471
134 AHZ 0.538462 0.817073
135 GTP 0.537634 0.92
136 SSA 0.537634 0.8
137 MTA 0.5375 0.773333
138 IOT 0.537037 0.831325
139 A3D 0.535714 0.918919
140 7MD 0.533981 0.8625
141 AR6 AR6 0.533981 0.917808
142 YLA 0.53211 0.819277
143 IMO 0.529412 0.929577
144 AMP DBH 0.529412 0.893333
145 TAD 0.528846 0.884615
146 AYB 0.527273 0.809524
147 A5A 0.526882 0.807229
148 TSB 0.526316 0.819277
149 EAD 0.525424 0.873418
150 2AM 0.52439 0.943662
151 V3L 0.521739 0.971831
152 AVV 0.520833 0.896104
153 BTX 0.517857 0.841463
154 NAE 0.517241 0.894737
155 52H 0.515789 0.77907
156 54H 0.515789 0.788235
157 VMS 0.515789 0.788235
158 NSS 0.515464 0.8
159 BT5 0.513274 0.831325
160 NAQ 0.512821 0.871795
161 ZAS 0.511905 0.766234
162 A3N 0.511628 0.786667
163 53H 0.510417 0.77907
164 5CA 0.510417 0.8
165 ARU 0.510204 0.860759
166 LA8 ALF 3PG 0.509259 0.8375
167 AF3 ADP 3PG 0.509259 0.8375
168 ALF ADP 3PG 0.509259 0.8375
169 ZID 0.508475 0.918919
170 P1H 0.508197 0.851852
171 OVE 0.505882 0.905405
172 S4M 0.505747 0.666667
173 LPA AMP 0.504673 0.817073
174 7MC 0.504587 0.841463
175 DSZ 0.5 0.8
176 MAO 0.5 0.759036
177 DZD 0.5 0.884615
178 LSS 0.5 0.761364
179 DSH 0.5 0.725
180 FB0 0.5 0.804598
181 P5A 0.5 0.744444
182 NDE 0.495935 0.932432
183 N0B 0.495798 0.819277
184 YLY 0.495726 0.809524
185 M24 0.495726 0.85
186 NJP 0.495575 0.945946
187 NVA LMS 0.494949 0.761364
188 MGP 0.494737 0.884615
189 6C6 0.494624 0.881579
190 NAJ PZO 0.491379 0.848101
191 0WD 0.491228 0.921053
192 LEU LMS 0.49 0.761364
193 6FA 0.488189 0.841463
194 5AD 0.486842 0.746479
195 GSU 0.485149 0.77907
196 KAA 0.485149 0.752809
197 A3G 0.482759 0.8
198 NEC 0.482759 0.746667
199 ODP 0.482456 0.909091
200 NAD IBO 0.482456 0.87013
201 FAS 0.48062 0.851852
202 FAD 0.48062 0.851852
203 FDA 0.480315 0.833333
204 N6P 0.48 0.915493
205 2SA 0.479167 0.932432
206 GP3 0.478723 0.921053
207 G A A A 0.478261 0.871795
208 SFG 0.478261 0.75
209 4TA 0.478261 0.807229
210 NDP 0.477876 0.921053
211 NPW 0.477876 0.886076
212 NDC 0.47619 0.871795
213 YSA 0.47619 0.77907
214 MGO 0.474227 0.860759
215 TXP 0.473684 0.921053
216 6IA 0.473684 0.8375
217 NZQ 0.473684 0.909091
218 GDP 0.473684 0.92
219 A7D 0.472527 0.776316
220 SFD 0.469231 0.734043
221 A5D 0.468085 0.786667
222 SA8 0.468085 0.707317
223 12D 0.46789 0.785714
224 PGS 0.467391 0.883117
225 MHZ 0.467391 0.697674
226 DA 0.465909 0.878378
227 D5M 0.465909 0.878378
228 GGZ 0.464646 0.825
229 SAH 0.463158 0.74359
230 SAI 0.463158 0.734177
231 NAJ PYZ 0.46281 0.85
232 FAY 0.462687 0.8625
233 PO4 PO4 A A A A PO4 0.460784 0.902778
234 AAM 0.460674 0.971429
235 RFL 0.459259 0.821429
236 SMM 0.459184 0.686047
237 AMZ 0.458824 0.916667
238 C2R 0.458824 0.90411
239 SAM 0.458333 0.690476
240 A3S 0.456522 0.810811
241 FNK 0.455224 0.804598
242 AAT 0.453608 0.707317
243 EEM 0.453608 0.690476
244 AIR 0.451219 0.901408
245 GSP 0.45 0.873418
246 DCA 0.45 0.823529
247 ETB 0.45 0.833333
248 NIA 0.448276 0.822785
249 AMP NAD 0.447154 0.881579
250 A3T 0.446809 0.821918
251 A A A 0.446602 0.905405
252 K15 0.446602 0.682353
253 PUA 0.446281 0.884615
254 6K6 0.445545 0.930556
255 GEK 0.445545 0.7375
256 S7M 0.444444 0.690476
257 1DG 0.443548 0.921053
258 DG1 0.443548 0.921053
259 Z5A 0.443548 0.77907
260 COA 0.442623 0.823529
261 WSA 0.442478 0.788235
262 8BR 0.43956 0.906667
263 101 0.438202 0.878378
264 IDP 0.4375 0.918919
265 NAP 0.435484 0.945205
266 APU 0.434783 0.894737
267 A U 0.434783 0.87013
268 PA7 0.434783 0.708861
269 7RP 0.433333 0.928571
270 A6D 0.432692 0.722892
271 J7V 0.432 0.833333
272 AMX 0.432 0.833333
273 CAO 0.432 0.795455
274 30N 0.432 0.752688
275 COS 0.432 0.804598
276 TAP 0.432 0.907895
277 V1N 0.431193 0.917808
278 P5F 0.429577 0.823529
279 NA0 0.428571 0.932432
280 SCO 0.428571 0.823529
281 7RA 0.428571 0.957747
282 CMX 0.428571 0.823529
283 GAV 0.427184 0.884615
284 0UM 0.427184 0.698795
285 QQY 0.426966 0.815789
286 1RB 0.426966 0.885714
287 ACK 0.426966 0.861111
288 GCP 0.425743 0.896104
289 G1R 0.425743 0.907895
290 ACO 0.425197 0.795455
291 FCX 0.425197 0.795455
292 FAM 0.425197 0.804598
293 GNH 0.424242 0.907895
294 F2N 0.423611 0.813953
295 GDC 0.422018 0.884615
296 GDD 0.422018 0.884615
297 GKE 0.422018 0.884615
298 HAX 0.421875 0.804598
299 3AD 0.421687 0.805556
300 GNP 0.421569 0.896104
301 FA9 0.42069 0.864198
302 TM1 0.420561 0.77381
303 2MC 0.419847 0.769231
304 FYN 0.418605 0.823529
305 26A 0.416667 0.763158
306 NHD 0.416667 0.905405
307 2VA 0.416667 0.8
308 QQX 0.41573 0.805195
309 OXK 0.415385 0.804598
310 SOP 0.415385 0.804598
311 CA6 0.415385 0.729167
312 COK 0.415385 0.804598
313 MCD 0.415385 0.804598
314 YE1 0.413534 0.813953
315 RMB 0.413043 0.873239
316 FAI 0.413043 0.916667
317 CO6 0.412214 0.804598
318 NMX 0.412214 0.76087
319 1VU 0.412214 0.795455
320 CMC 0.412214 0.804598
321 ANZ 0.410714 0.8
322 SCA 0.410448 0.804598
323 PLP AAD 0.409836 0.741573
324 SCD 0.409091 0.823529
325 CAJ 0.409091 0.804598
326 NVA 2AD 0.408163 0.74359
327 D3Y 0.407767 0.789474
328 NOS 0.407407 0.791667
329 U G A 0.407407 0.839506
330 CC5 0.407407 0.816901
331 KH3 0.40708 0.674419
332 SLU 0.406504 0.770115
333 5GP 0.40625 0.906667
334 G 0.40625 0.906667
335 3HC 0.406015 0.813953
336 1HE 0.406015 0.786517
337 MLC 0.406015 0.804598
338 GTG 0.405405 0.886076
339 NMN AMP PO4 0.404959 0.87013
340 3D1 0.404762 0.773333
341 3L1 0.404762 0.773333
342 CMP 0.404255 0.901408
343 2BA 0.404255 0.915493
344 MCA 0.402985 0.795455
345 CAA 0.402985 0.813953
346 3NZ 0.401869 0.782051
347 G2R 0.401869 0.884615
348 2CP 0.4 0.795455
349 ZZB 0.4 0.77381
350 MC4 0.4 0.76087
351 2FA 0.4 0.813333
Ligand no: 2; Ligand: DNN; Similar ligands found: 7
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 ACA 0.432432 0.677419
7 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: 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 0.00001114 0.62312
2 1GOJ ADP 0.00003252 0.59137
3 1G3Q ADP 0.000008505 0.59024
4 3LRE ADP 0.0000576 0.57562
5 3LRE ADP 0.0000576 0.57562
6 3LRE ADP 0.0000626 0.57383
7 4CVN ADP 0.00005561 0.57038
8 2WJG GDP 0.00004175 0.56933
9 3PQC GDP 0.00006583 0.56638
10 4CVN ADP 0.0000883 0.55941
11 4CVN ADP 0.00008973 0.55903
12 2NCD ADP 0.0001122 0.55746
13 2HF9 GSP 0.00001739 0.55477
14 4AG5 ADP 0.0001288 0.55316
15 3A1S GDP 0.00005051 0.5509
16 1SQ5 ADP 0.00005253 0.55003
17 3WY9 GDP 0.0001093 0.54706
18 2WIC GNP 0.000061 0.54673
19 2WIC GNP 0.000061 0.54673
20 3U6B GDP 0.0001222 0.54448
21 4J0Q GDP 0.0001237 0.5442
22 1SQ5 ADP 0.00007061 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 0.00007886 0.54106
27 3A1S GDP 0.00008491 0.53942
28 2WJG GDP 0.0001173 0.53866
29 2BVN GNP 0.00005264 0.53755
30 2BVN GNP 0.0000527 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 0.00006707 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 0.00007685 0.50881
53 3TKL GTP 0.00004804 0.50861
54 2G77 GDP 0.0001959 0.50459
55 2A5J GDP 0.0003212 0.50452
56 3QBT GNP 0.00004947 0.50365
57 3NHB ADP 0.001082 0.50316
58 4HSE ADP 0.0004409 0.50304
59 3QBT GNP 0.00005338 0.50224
60 1G7S GDP 0.0004577 0.50222
61 3MJH GTP 0.00005498 0.50169
62 4LHW GNP 0.00007042 0.5014
63 3QBT GNP 0.00005745 0.50088
64 3QBT GNP 0.0000579 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 0.00009423 0.49172
71 4LHW GNP 0.00009444 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 0.00009818 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 0.00004064 0.41259
206 1Z06 GNP 0.00001542 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 0.00006501 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 0.00007049 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 0.00009889 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 0.00002745 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 0.00001114 0.62312
2 1GOJ ADP 0.00003252 0.59137
3 1G3Q ADP 0.000008505 0.59024
4 3LRE ADP 0.0000576 0.57562
5 3LRE ADP 0.0000576 0.57562
6 3LRE ADP 0.0000626 0.57383
7 4CVN ADP 0.00005561 0.57038
8 2WJG GDP 0.00004175 0.56933
9 3PQC GDP 0.00006583 0.56638
10 4CVN ADP 0.0000883 0.55941
11 4CVN ADP 0.00008973 0.55903
12 2NCD ADP 0.0001122 0.55746
13 2HF9 GSP 0.00001739 0.55477
14 4AG5 ADP 0.0001288 0.55316
15 3A1S GDP 0.00005051 0.5509
16 1SQ5 ADP 0.00005253 0.55003
17 3WY9 GDP 0.0001093 0.54706
18 2WIC GNP 0.000061 0.54673
19 2WIC GNP 0.000061 0.54673
20 3U6B GDP 0.0001222 0.54448
21 4J0Q GDP 0.0001237 0.5442
22 1SQ5 ADP 0.00007061 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 0.00007886 0.54106
27 3A1S GDP 0.00008491 0.53942
28 2WJG GDP 0.0001173 0.53866
29 2BVN GNP 0.00005264 0.53755
30 2BVN GNP 0.0000527 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 0.00006707 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 0.00007685 0.50881
53 3TKL GTP 0.00004804 0.50861
54 2G77 GDP 0.0001959 0.50459
55 2A5J GDP 0.0003212 0.50452
56 3QBT GNP 0.00004947 0.50365
57 3NHB ADP 0.001082 0.50316
58 4HSE ADP 0.0004409 0.50304
59 3QBT GNP 0.00005338 0.50224
60 1G7S GDP 0.0004577 0.50222
61 3MJH GTP 0.00005498 0.50169
62 4LHW GNP 0.00007042 0.5014
63 3QBT GNP 0.00005745 0.50088
64 3QBT GNP 0.0000579 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 0.00009423 0.49172
71 4LHW GNP 0.00009444 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 0.00009818 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 0.00004064 0.41259
206 1Z06 GNP 0.00001542 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 0.00006501 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 0.00007049 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 0.00009889 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 0.00002745 0.40115
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