Receptor
PDB id Resolution Class Description Source Keywords
3LRE 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE ANALYSIS OF HUMAN KINESIN-8 MOTOR DOMAIN HOMO SAPIENS MOTOR PROTEIN NUCLEOTIDE BINDING MICROTUBULE BINDING ATP-CELL PROJECTION CYTOSKELETON GLYCOPROTEIN MICROTUBULE NUCLEOTIDE-BINDING NUCLEUS PHOSPHOPROTEIN PROTEIN TRANSPTRANSPORT
Ref.: INSIGHT INTO THE MOLECULAR MECHANISM OF THE MULTITA KINESIN-8 MOTOR. EMBO J. V. 29 3437 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:501;
B:501;
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
3LRE 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE ANALYSIS OF HUMAN KINESIN-8 MOTOR DOMAIN HOMO SAPIENS MOTOR PROTEIN NUCLEOTIDE BINDING MICROTUBULE BINDING ATP-CELL PROJECTION CYTOSKELETON GLYCOPROTEIN MICROTUBULE NUCLEOTIDE-BINDING NUCLEUS PHOSPHOPROTEIN PROTEIN TRANSPTRANSPORT
Ref.: INSIGHT INTO THE MOLECULAR MECHANISM OF THE MULTITA KINESIN-8 MOTOR. EMBO J. V. 29 3437 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3LRE - 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 1068 families.
1 3LRE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (50)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 2UYM ic50 = 3.1 uM K03 C20 H26 N2 O2 S2 CCN(CC)C(=....
2 3L9H ic50 = 8 nM EMQ C25 H31 F3 N4 O2 CN(C)CCNC(....
3 1Q0B ic50 = 7 uM NAT C14 H16 N2 O3 S CCOC(=O)C1....
4 2FME ic50 = 104 nM 3QC C20 H24 N2 O2 Cc1ccc2c(c....
5 2FL6 ic50 = 38 nM N5T C19 H18 F2 N2 O CN(C)C(=O)....
6 4B7B - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 2X2R ic50 = 549 nM X2O C20 H25 N O2 S CC[C@@H](C....
8 2Q2Y ic50 = 1.6 nM MKR C27 H31 F N4 O3 CC(=O)C1=N....
9 3CJO ic50 = 2.2 nM K30 C25 H28 F3 N3 O2 C[N@]1CC[C....
10 2FKY ic50 = 2.6 nM N2T C23 H25 F2 N3 O CN(C1CCNCC....
11 2WOG - ZZD C22 H21 N O2 S c1ccc(cc1)....
12 2PG2 ic50 = 1.7 uM K01 C18 H22 N2 O2 S2 CCN(CC)C(=....
13 2X7D ic50 = 200 nM EGB C16 H18 N2 O2 S CC1(CC2=C(....
14 3HQD - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
15 1II6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 1YRS ic50 = 450 nM L47 C17 H15 Cl N2 O2 CC(=O)N1[C....
17 2X7C ic50 = 2 uM KZ9 C14 H14 N2 O2 S c1cc(cc(c1....
18 2GM1 ic50 = 0.1 uM 2AZ C28 H30 Cl N5 O2 Cc1ccc(cc1....
19 3KEN - ZZD C22 H21 N O2 S c1ccc(cc1)....
20 2UYI ic50 = 0.48 uM K02 C19 H24 N2 O2 S2 CCN(CC)C(=....
21 2X7E - X7E C19 H18 F2 N2 O2 S CC1=C([C@H....
22 4AS7 ic50 = 484 nM 6LX C31 H33 Cl N2 O3 Cc1ccc(cc1....
23 3K3B ic50 = 0.2 uM L31 C20 H20 N2 O2 Cc1ccc2c(c....
24 2FL2 ic50 = 2 nM N4T C21 H20 F2 N2 O c1ccc(cc1)....
25 3ZCW Kd = 0.47 uM 4A2 C23 H17 F4 N3 O3 COc1ccc(cc....
26 1N6M - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
27 1VFW - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
28 2ZFM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1VFZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
30 1VFV - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
31 1I5S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
32 2ZFI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
33 1I6I - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
34 3LRE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 2XT3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 4A14 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 2VVG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
38 3ZFD - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
39 3ZFC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
40 1GOJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 1F9W - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
42 3KAR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
43 1F9V - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 1F9T - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
45 1F9U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
46 1T5C - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
47 3COB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
48 1SDM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 4FRZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50 1BG2 - 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 : 3LRE; Ligand: ADP; Similar sites found: 685
This union binding pocket(no: 1) in the query (biounit: 3lre.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4QM7 GTP 0.0000005822 0.64472 None
2 2FFQ GSP 0.000003964 0.62362 None
3 1U7Z PMT 0.03948 0.41213 None
4 4AG9 COA 0.01056 0.41179 None
5 4XUC SAM 0.03551 0.40723 None
6 4XUC 43G 0.03551 0.40723 None
7 4X8O AP5 0.0000305 0.59842 0.934579
8 5CFT 51G 0.02798 0.40543 1.08108
9 5CFT APC 0.02457 0.40543 1.08108
10 2F5X ASP 0.002805 0.40988 1.28205
11 2XVF FAD 0.0389 0.41775 1.40845
12 4KQI RBZ 0.04253 0.4071 1.40845
13 4WAS NAP 0.04094 0.40537 1.40845
14 2MBR EPU 0.02478 0.43242 1.47059
15 2MBR FAD 0.02541 0.43242 1.47059
16 3CQD ATP 0.03671 0.4054 1.61812
17 1Z0F GDP 0.0000004051 0.64833 1.67598
18 1D8T GDP 0.0000002659 0.661 1.69014
19 2ZPA ADP 0.00000172 0.63013 1.69014
20 1XP8 AGS 0.00000124 0.6273 1.69014
21 2JLR ANP 0.000001756 0.62632 1.69014
22 4IDN GNP 0.00000611 0.60534 1.69014
23 2ZPA ACO 0.006516 0.43993 1.69014
24 3UR0 SVR 0.009558 0.43233 1.69014
25 1GR0 NAD 0.0301 0.4231 1.69014
26 1N9G NAP 0.0141 0.42153 1.69014
27 3W8X FAD 0.04208 0.41366 1.69014
28 3WGT FAD 0.0471 0.42161 1.72911
29 3WGT QSC 0.0484 0.42161 1.72911
30 2HCJ GDP 0.0000003424 0.64957 1.79104
31 1P72 ADP 0.000007945 0.61664 1.79641
32 2IXE ATP 0.000003739 0.61988 1.84502
33 1SQ5 ADP 0.000001771 0.48295 1.94805
34 1MKY GDP 0.0000003991 0.64899 1.97183
35 3FVQ ATP 0.000001151 0.64473 1.97183
36 4HSE ADP 0.0000008726 0.63776 1.97183
37 1XMV ADP 0.0000016 0.62828 1.97183
38 4IHQ ADP 0.00001558 0.55992 1.97183
39 3DZD ADP 0.0000685 0.53245 1.97183
40 3FC4 EDO 0.01667 0.44412 1.97183
41 1F8F NAD 0.007197 0.43777 1.97183
42 2Q4W FAD 0.02569 0.42169 1.97183
43 1WUU ANP 0.01386 0.42088 1.97183
44 4EUE NAI 0.03333 0.41868 1.97183
45 2D2F ADP 0.000008915 0.528 2
46 2ZR9 DTP 0.000003661 0.60161 2.00573
47 2X06 NAD 0.03391 0.41628 2.03488
48 5X40 ACP 0.000001751 0.64232 2.05479
49 3B5J 12D 0.000001302 0.61453 2.05761
50 5MW4 5JU 0.04066 0.42114 2.09581
51 2VEZ G6P 0.01356 0.4306 2.10526
52 2VEZ ACO 0.0129 0.4306 2.10526
53 1PUJ GNP 0.000003765 0.60085 2.12766
54 2B8W ALF 5GP 0.00005053 0.55582 2.13415
55 3ZQ6 ADP ALF 0.00001018 0.59938 2.16049
56 5ULP KB1 0.02233 0.41204 2.23881
57 1U0J ADP 0.00001701 0.5581 2.24719
58 1G41 ADP 0.0000001584 0.67643 2.25352
59 2AWN ADP 0.00000002293 0.65961 2.25352
60 4B47 GDP 0.0000002542 0.65883 2.25352
61 5GJC ATP 0.000001472 0.61924 2.25352
62 5HR5 ADP 0.000003124 0.61572 2.25352
63 1K6M AGS 0.000006292 0.60941 2.25352
64 2FAH GDP 0.000007897 0.58423 2.25352
65 2DPY ADP 0.000000862 0.54098 2.25352
66 1G7S GDP 0.0000004008 0.50304 2.25352
67 4IEE AGS 0.00002125 0.47287 2.25352
68 5HR5 FLC 0.003785 0.46948 2.25352
69 1YTM ATP 0.000000943 0.43646 2.25352
70 1YQZ FAD 0.02312 0.43426 2.25352
71 1QF5 GDP 0.0232 0.43104 2.25352
72 1GPE FAD 0.04519 0.41697 2.25352
73 1U3U BNF 0.03398 0.4139 2.25352
74 1U3U NAD 0.03398 0.4139 2.25352
75 1A59 COA 0.01412 0.41068 2.25352
76 1GKZ ADP 0.01771 0.40368 2.25352
77 2GDJ ANP 0.000003221 0.59882 2.27273
78 1B0U ATP 0.000000853 0.64539 2.29008
79 3A4M ADP 0.0000002837 0.65343 2.30769
80 1NN5 ANP 0.00001236 0.60526 2.32558
81 1NN5 2DT 0.01177 0.45907 2.32558
82 1G6H ADP 0.0000003793 0.62955 2.33463
83 1Q20 A3P 0.008651 0.44425 2.34114
84 1Q20 PLO 0.008651 0.44425 2.34114
85 4JB1 FAD 0.008083 0.46724 2.35294
86 4JB1 NAP 0.007834 0.46724 2.35294
87 1AQU A3P 0.0004956 0.49237 2.3569
88 4LJ9 ACP 0.000003226 0.59773 2.35988
89 3KC1 2T6 0.003565 0.45535 2.37389
90 1WY7 SAH 0.01509 0.4247 2.41546
91 3TK1 GDP 0.0000002272 0.65166 2.42424
92 1QAN SAH 0.01347 0.42847 2.45902
93 2GCN GDP 0.000002982 0.62306 2.48756
94 2GCO GNP 0.000002372 0.61807 2.48756
95 5IRC GDP 0.00003116 0.55572 2.48756
96 1OTH PAO 0.02994 0.40675 2.49221
97 1I9G SAM 0.006683 0.4382 2.5
98 4GO7 THR 0.0199 0.40441 2.5
99 1D2E GDP 0.0000004226 0.65944 2.53521
100 3EC1 GDP 0.000003533 0.59591 2.53521
101 2GZ3 NAP 0.03081 0.42472 2.53521
102 4PXD 1AL 0.02874 0.40145 2.53521
103 2WA2 SAM 0.02177 0.40794 2.53623
104 4FCW ADP 0.000001091 0.61962 2.57235
105 1T8U UAP SGN IDS SGN 0.001997 0.48916 2.57353
106 1T8U A3P 0.0007528 0.48791 2.57353
107 4DID GDP 0.000001353 0.62636 2.59067
108 3G6K POP 0.009419 0.44533 2.5974
109 3G6K FAD 0.01038 0.44533 2.5974
110 1A4R GDP 0.000002164 0.62684 2.6178
111 1A4R GNH 0.000002294 0.62163 2.6178
112 3D91 REM 0.03096 0.43274 2.6393
113 1N2X SAM 0.03845 0.40273 2.65781
114 3P4X ADP 0.0000005354 0.63806 2.66344
115 3SBD GNP 0.000004912 0.61653 2.6738
116 2B8T THM 0.0003361 0.50864 2.69058
117 2C04 GCP 0.00001911 0.42758 2.6936
118 2ZPT A3P 0.00148 0.51077 2.71186
119 1G6O ADP 0.0000005093 0.48424 2.72727
120 4HEQ FMN 0.009252 0.42627 2.73973
121 3KJI ADP 0.00001282 0.56905 2.75591
122 1FP6 ADP 0.000002971 0.61389 2.76817
123 3TE4 ACO 0.004302 0.45398 2.7907
124 5UAV TFB 0.03497 0.40811 2.79503
125 5UAV NDP 0.03497 0.40811 2.79503
126 5FG3 GDP 0.0000003185 0.65187 2.8169
127 5MZN ADP 0.00004334 0.53534 2.8169
128 4GID 0GH 0.02946 0.44829 2.8169
129 4P4T GDP 0.000003595 0.43334 2.8169
130 2NLI LAC 0.0172 0.41764 2.8169
131 2NLI FMN 0.0142 0.41674 2.8169
132 4RQU NAD 0.02335 0.41465 2.8169
133 1VBH PEP 0.00958 0.4125 2.8169
134 3LOO B4P 0.04085 0.41216 2.8169
135 2PTZ PAH 0.0233 0.40333 2.8169
136 2WOJ ADP ALF 0.000009092 0.60336 2.82486
137 4XTR ADP 0.000007227 0.59373 2.82486
138 4XTR ATP 0.000009888 0.59373 2.82486
139 4XVU ATP 0.00001296 0.58709 2.82486
140 1DL5 SAH 0.01751 0.42636 2.83912
141 4ITR GDP 0.000002176 0.62768 2.8481
142 2C6Q IMP 0.02959 0.40701 2.849
143 2F3R G5P 0.0003747 0.51483 2.89855
144 1JI0 ATP 0.0000001913 0.56695 2.91667
145 3NHB ADP 0.00000006929 0.60906 2.94118
146 3R7F CP 0.0044 0.40236 2.96053
147 1Z2A GDP 0.00000403 0.40851 2.97619
148 2QG6 NMN 0.0001776 0.53004 3.01508
149 3E70 GDP 0.000001842 0.61293 3.04878
150 2QZ4 ADP 0.0000002919 0.66381 3.05344
151 1J99 AND 0.004875 0.45731 3.07167
152 2XZ9 PYR 0.01364 0.40341 3.08642
153 5I0H ADP BEF 0.000000006669 0.76912 3.09859
154 5M04 GDP 0.0000004749 0.64063 3.09859
155 3TBK ANP 0.00001737 0.55353 3.09859
156 4KBF AMP 0.0002669 0.48696 3.09859
157 2Q6B HR2 0.02586 0.44955 3.09859
158 1V5F FAD 0.02689 0.43657 3.09859
159 3QVP FAD 0.04764 0.41495 3.09859
160 2O4C NAD 0.02911 0.40307 3.09859
161 1I1D COA 0.004414 0.44925 3.10559
162 1I1D 16G 0.009655 0.43736 3.10559
163 2XTZ GSP 0.00000427 0.62021 3.10734
164 1SVK ALF GDP 0.00000844 0.60987 3.11615
165 1GP2 GDP 0.000001939 0.41222 3.11615
166 5WRI A3P 0.0008997 0.48876 3.125
167 3FV1 DYH 0.03686 0.40655 3.125
168 4F07 FAD 0.0365 0.40343 3.15789
169 5CK5 GDP 0.000000178 0.65838 3.16456
170 3BER AMP 0.0006626 0.41262 3.21285
171 3RWO GDP 0.0000002978 0.68537 3.24324
172 4TTQ ATP 0.00006145 0.53286 3.25581
173 5WRJ A3P 0.0008221 0.49597 3.30033
174 1MR3 G3D 0.0000001769 0.6707 3.31492
175 4R98 GNH 0.000002855 0.59918 3.32103
176 1Y3A GDP 0.000002306 0.63408 3.34347
177 2WIC GNP 0.000002585 0.48033 3.37079
178 1G3Q ADP 0.00000994 0.45843 3.37553
179 4ZG4 VO4 ADP 0.00000004028 0.72586 3.38028
180 2RCN GDP 0.000000127 0.67446 3.38028
181 3MD0 GDP 0.0000001244 0.67099 3.38028
182 1OS1 PYR 0.000001337 0.66106 3.38028
183 1OS1 ATP 0.000001229 0.66106 3.38028
184 4D0N GDP 0.0000005688 0.63961 3.38028
185 2WHX ADP 0.0000008109 0.61999 3.38028
186 4R43 GDP 0.000001843 0.49497 3.38028
187 5I34 GDP 0.003539 0.44157 3.38028
188 2VOS ADP 0.01118 0.43193 3.38028
189 3D2M COA 0.01431 0.42877 3.38028
190 2O0J ADP 0.005055 0.42227 3.38028
191 2C78 GNP 0.000003036 0.41972 3.38028
192 3CV2 OXL 0.003105 0.41751 3.38028
193 5BUK FAD 0.04891 0.41129 3.38028
194 3PT9 SAH 0.02271 0.41092 3.38028
195 1D1T NAD 0.03543 0.40163 3.38028
196 2OM2 GDP 0.000001797 0.42916 3.38462
197 1YS4 NAP 0.03232 0.40049 3.38983
198 1TAD GDP 0.00001302 0.59821 3.39506
199 1TAD ALF 0.00001302 0.59821 3.39506
200 4BQS K2Q 0.000003321 0.64757 3.40909
201 4BQS ADP 0.0000002037 0.52879 3.40909
202 3FYH ADP 0.000001412 0.6521 3.41615
203 2XTN GTP 0.000002425 0.6276 3.4188
204 4WZ6 ATP 0.0000002385 0.64865 3.44828
205 3B7G ANP 0.000006998 0.5748 3.47826
206 1BH2 GSP 0.00001187 0.59913 3.49206
207 5N69 ADP 0.00000001291 0.73853 3.51759
208 2IYL GDP 0.00000209 0.60706 3.52113
209 1EK0 GNP 0.000001845 0.63848 3.52941
210 3GCZ SAM 0.02142 0.40744 3.5461
211 1ZUI SKM 0.00001143 0.6133 3.57143
212 1BO4 COA 0.0005134 0.4098 3.57143
213 4X7G 3Y8 0.04442 0.40768 3.58566
214 1KAO GDP 0.0000002951 0.67225 3.59281
215 3EVG SAH 0.0237 0.41021 3.63636
216 5TSH ANP 0.0000002449 0.66222 3.66197
217 1R6B ADP 0.0000004053 0.64926 3.66197
218 1SKQ GDP 0.0000003452 0.64913 3.66197
219 5TSH ADP 0.0000005073 0.62921 3.66197
220 2C77 GNP 0.000002288 0.62376 3.66197
221 1IHU AF3 0.000003535 0.61803 3.66197
222 1IHU ADP 0.000003919 0.61803 3.66197
223 1QHG ATP 0.0001331 0.51707 3.66197
224 3RC3 ANP 0.0001503 0.50509 3.66197
225 2GMV UN8 0.00103 0.47911 3.66197
226 2GMV PEP 0.001166 0.47911 3.66197
227 1NHX FTB 0.004331 0.46472 3.66197
228 1NHX PEP 0.004172 0.46472 3.66197
229 2BVN GNP 0.000002188 0.4591 3.66197
230 1ECC PCP 0.0105 0.43511 3.66197
231 3ZZH ARG 0.006122 0.42504 3.66197
232 4AUT FAD 0.028 0.42453 3.66197
233 4H1V GNP 0.00003089 0.42224 3.66197
234 4P8K 38C 0.04455 0.42073 3.66197
235 4M52 FAD 0.0273 0.41945 3.66197
236 2GOU FMN 0.03215 0.40533 3.66197
237 4USR FAD 0.04881 0.4046 3.66197
238 4L2H AR6 AR6 0.04388 0.40356 3.66197
239 3MB5 SAM 0.03274 0.40324 3.66197
240 3DKP ADP 0.00002917 0.54365 3.67347
241 1S3G AP5 0.0000524 0.57788 3.68664
242 1OW3 GDP 0.000006016 0.59615 3.71901
243 2W9S NDP 0.03338 0.40283 3.72671
244 1ZJ6 G3D 0.000000883 0.63147 3.74332
245 2CWH NDP 0.04472 0.41139 3.79009
246 2PL3 ADP 0.000008584 0.57473 3.81356
247 5HCN GCP 0.000002902 0.59939 3.83142
248 4GOX A3P 0.0001219 0.53501 3.83387
249 2NGR GDP 0.000001413 0.62592 3.84615
250 4U9W COA 0.02183 0.42684 3.86473
251 1FZQ GDP 0.000000526 0.64132 3.8674
252 3A1S GDP 0.000005141 0.46913 3.87597
253 1U29 I3P 0.01284 0.41142 3.87597
254 2RGX AP5 0.00003729 0.5904 3.8835
255 2X7I CIT 0.002401 0.44197 3.8961
256 1G8S MET 0.001745 0.43077 3.91304
257 3W5J GDP 0.000007891 0.55569 3.92157
258 3WXM GTP 0.000004789 0.61374 3.94366
259 4YS0 ADP 0.00003421 0.55819 3.94366
260 3HU3 AGS 0.007494 0.50495 3.94366
261 2GK6 ADP 0.0002728 0.49417 3.94366
262 1G7C 5GP 0.0003741 0.48687 3.94366
263 2G77 GDP 0.0000009264 0.45922 3.94366
264 2AJ4 ANP 0.005373 0.44438 3.94366
265 3KJS DQ1 0.0151 0.43197 3.94366
266 1QZR CDX 0.04279 0.42915 3.94366
267 4MIG G3F 0.02919 0.42768 3.94366
268 3KJS NAP 0.01599 0.42681 3.94366
269 2YNC YNC 0.02995 0.41753 3.94366
270 1IID NHM 0.04708 0.4076 3.94366
271 3S5W NAP 0.01961 0.407 3.94366
272 1IXE COA 0.01781 0.40473 3.94366
273 1RRC ADP 0.0000002612 0.64775 3.98671
274 1KO8 6PG 0.000005986 0.59791 4
275 4M7V NAP 0.02195 0.42334 4
276 5MEX PAP 0.0006986 0.48804 4.03727
277 5MEX SZZ 0.001935 0.48804 4.03727
278 1D2N ANP 0.0004491 0.49891 4.04412
279 2V2V V12 0.003603 0.48292 4.05904
280 1H65 GDP 0.00000412 0.61724 4.07407
281 3MGB PAP 0.004807 0.43963 4.07523
282 1FQK GDP 0.000004216 0.40631 4.08163
283 5HGZ ACO 0.006757 0.44303 4.11523
284 3Q85 GNP 0.00000007347 0.68746 4.14201
285 4O4K 2PK 0.01365 0.42467 4.16667
286 5AYF SAM 0.03262 0.41289 4.18251
287 5AYF C7H 0.03553 0.41289 4.18251
288 4LAE NAP 0.04228 0.41961 4.19162
289 4LAE 1VM 0.04228 0.41961 4.19162
290 3DEF GDP 0.000001764 0.62674 4.19847
291 2F69 SAH 0.01282 0.41076 4.21456
292 1JWY ADP 0.000000008948 0.73875 4.22535
293 1JWY GDP 0.000003792 0.60787 4.22535
294 3AB3 GDP 0.000005495 0.60345 4.22535
295 1KOL NAD 0.01555 0.42363 4.22535
296 2OHH FMN 0.01702 0.41547 4.22535
297 2WKQ GTP 0.000002828 0.40979 4.22535
298 1Z06 GNP 0.000001258 0.6481 4.2328
299 2WJG GDP 0.000002047 0.49682 4.25532
300 2P41 SAH 0.02381 0.41059 4.2623
301 1KMQ GNP 0.000004027 0.6175 4.34783
302 2CNT COA 0.01585 0.41783 4.375
303 3FMI KAP 0.0394 0.40178 4.38247
304 1GXU 2HP 0.0001323 0.48102 4.3956
305 4HA9 NDP 0.0268 0.40062 4.41767
306 1G3M A3P 0.002011 0.48524 4.42177
307 1G3M PCQ 0.002011 0.48524 4.42177
308 1GRN GDP 0.000001927 0.62883 4.4335
309 1NM5 NAP 0.01596 0.43759 4.4335
310 3VX3 ADP 0.00003739 0.55134 4.43548
311 4ITM ATP 0.007253 0.4434 4.44444
312 1DAK DPU 0.0000626 0.57383 4.46429
313 1DAK ADP 0.009377 0.47658 4.46429
314 1W5T ANP 0.00002093 0.58028 4.50704
315 1W5T ADP 0.00004528 0.55713 4.50704
316 4XQC 13D 0.03127 0.41528 4.50704
317 2Q8M AMP 0.006155 0.43109 4.51807
318 1P1C SAH 0.01842 0.40553 4.52261
319 1LVG ADP 0.0000001299 0.66862 4.54545
320 2QEN ADP 0.000002531 0.6254 4.57143
321 2FXV 5GP 0.004397 0.45874 4.63918
322 2DC1 NAD 0.022 0.41173 4.66102
323 1XX6 ADP 0.00004147 0.548 4.71204
324 1AZT GSP 0.00000372 0.63317 4.72637
325 1Q19 APC 0.002558 0.46304 4.78873
326 4I4B NAD 0.02067 0.44936 4.78873
327 1OYY AGS 0.001324 0.44861 4.78873
328 1P9B GDP 0.004888 0.43836 4.78873
329 1P7T PYR 0.004341 0.42112 4.78873
330 5UAO FAD 0.04949 0.40267 4.78873
331 1NJF ADP 0.0000001058 0.70125 4.8
332 1NJF AGS 0.0000007263 0.65668 4.8
333 2OFW ADX 0.0000008765 0.68915 4.80769
334 1O3Y GTP 0.0000007467 0.65973 4.81928
335 2WJH FLC 0.00001536 0.5643 4.81928
336 2WJH GDP 0.00001585 0.55856 4.81928
337 1J2J GTP 0.000001115 0.42238 4.81928
338 1RE0 GDP 0.0000002446 0.656 4.87805
339 1S9D GDP 0.000000247 0.51079 4.87805
340 4BUZ NAD 0.03414 0.40483 4.87805
341 4BUZ OCZ 0.03922 0.40483 4.87805
342 4BUZ OAD 0.03922 0.40483 4.87805
343 4WOP CTP 0.00004044 0.54964 4.88889
344 1C3Q TZE 0.01913 0.42411 4.92958
345 1ION ADP 0.00001147 0.57928 4.93827
346 4D81 ADP 0.0000005153 0.65689 4.947
347 1UPT GTP 0.0000002386 0.68518 5
348 1JJ7 ADP 0.0000002388 0.64179 5
349 3ELW SAM 0.04226 0.41168 5
350 4BAS GNP 0.000002844 0.62228 5.02513
351 5E5U MLI 0.0004017 0.40823 5.02513
352 3T1O GDP 0.000005602 0.58907 5.05051
353 4N82 FMN 0.01321 0.41759 5.05618
354 3AB4 THR 0.01148 0.41648 5.05618
355 3RLF ANP 0.000001165 0.65185 5.06757
356 1XKV ATP 0.0000003948 0.65794 5.07042
357 2I4I AMP 0.0005616 0.48498 5.07042
358 4FUT ATP 0.01443 0.42359 5.07042
359 1V9N NDP 0.03219 0.42132 5.07042
360 5E4R NAP 0.0474 0.40458 5.07042
361 1GHE ACO 0.001904 0.47037 5.08475
362 1OXV ANP 0.0000002015 0.66406 5.09915
363 2VAR ANP 0.0151 0.41619 5.11182
364 1UJ2 ADP 0.00000595 0.61914 5.15873
365 1UJ2 C5P 0.000008827 0.60845 5.15873
366 2J0V GDP 0.0000007339 0.6417 5.18868
367 2PX8 SAH 0.01868 0.41731 5.20446
368 1NST A3P 0.0001923 0.51613 5.23077
369 4HUT ATP 0.005738 0.4575 5.2356
370 1M2O GNP 0.000001108 0.65466 5.26316
371 1RC0 KT5 0.03876 0.41486 5.26316
372 1Z08 GNP 0.000008911 0.40263 5.29412
373 1W7J ADP BEF 0.000000001998 0.52758 5.29801
374 1KUV CA5 0.006562 0.45228 5.31401
375 3MWL 8OX 0.006059 0.42403 5.31401
376 2ZW5 COA 0.003344 0.45932 5.31561
377 1EZ4 NAD 0.02425 0.40415 5.34591
378 1DAR GDP 0.0000008621 0.6282 5.35456
379 2BME GNP 0.0000005406 0.67156 5.37634
380 4NON GDP 0.000001786 0.4984 5.38462
381 5KVA SAM 0.02051 0.42019 5.39568
382 3O9L LPN 0.02537 0.428 5.42169
383 3GJ3 GDP 0.000000183 0.669 5.42986
384 3GJ5 GDP 0.0000003009 0.66025 5.42986
385 3GJ7 GDP 0.0000002765 0.65758 5.42986
386 3GJ0 GDP 0.0000002673 0.52548 5.42986
387 3GJ8 GDP 0.0000003747 0.50563 5.43478
388 3UIE ANP 0.0000007411 0.64644 5.5
389 3CH5 GDP 0.0000002807 0.66288 5.55556
390 5BXQ GDP 0.0000003408 0.65746 5.55556
391 3TMK T5A 0.00004457 0.56779 5.55556
392 1NZY BCA 0.0256 0.40469 5.57621
393 2PEZ DAT 0.0000006287 0.68675 5.58659
394 2PEZ GGZ 0.0000006287 0.68675 5.58659
395 1YQT ADP 0.0000003243 0.64772 5.6338
396 1KK1 GNP 0.0000007332 0.6304 5.6338
397 5LB3 ADP 0.000001582 0.60333 5.6338
398 3BC1 GNP 0.0000002318 0.6939 5.64103
399 1LFD GNP 0.0000005765 0.66949 5.74713
400 1B7T ADP 0.00000001037 0.74297 5.76923
401 1U3G THF 0.01969 0.41727 5.82011
402 1KK8 BEF ADP 0.00000001563 0.74086 5.84416
403 5EP2 AZU 0.01073 0.42532 5.85938
404 3C3Y SAH 0.02007 0.41637 5.90717
405 3CX8 GSP 0.00001109 0.60214 5.91133
406 2VF7 ADP 0.0000005201 0.65059 5.91549
407 4WZA ADP 0.00001424 0.64164 5.91549
408 4WZA ACP 0.00001424 0.64164 5.91549
409 3QXC ATP 0.00004656 0.5616 5.91549
410 2OG2 MLI 0.000009575 0.48498 5.91549
411 2C9O ADP 0.000003128 0.42412 5.91549
412 5GUD CIT 0.04028 0.4147 5.91549
413 4B74 1LH 0.02769 0.40164 5.91549
414 2W58 ADP 0.000001301 0.59959 5.94059
415 1JXZ BCA 0.02135 0.40981 5.94796
416 1WF3 GNP 0.000007204 0.60855 5.98007
417 4D42 NAP 0.01316 0.45409 6.02837
418 4D42 W0I 0.01316 0.45409 6.02837
419 2DFV NAD 0.005211 0.43842 6.05187
420 3TKA SAM 0.02094 0.41766 6.05187
421 1N71 COA 0.01544 0.41781 6.11111
422 2BIF SIN 0.00001088 0.62969 6.19718
423 2BIF ANP 0.000006352 0.62969 6.19718
424 4NCN GTP 0.000005659 0.60612 6.19718
425 2D7D ADP 0.000006271 0.57907 6.19718
426 1TQ4 GDP 0.0000001727 0.45477 6.19718
427 3ZL8 ADP 0.01238 0.42903 6.19718
428 1ZRH A3P 0.009229 0.42878 6.20438
429 1E96 GTP 0.000002647 0.63713 6.25
430 1L3I SAH 0.01451 0.4304 6.25
431 2A5J GDP 0.000000122 0.5082 6.28272
432 1OFH ADP 0.0000003835 0.65302 6.32184
433 2GWH A3P 0.0004475 0.49303 6.37584
434 1UKZ ADP 0.000009151 0.61928 6.40394
435 4PJ3 ANP 0.00006125 0.53562 6.47887
436 2B9W FAD 0.03775 0.4163 6.47887
437 4U00 ADP 0.0000001376 0.65293 6.55738
438 3T12 GDP ALF 0.00001008 0.40667 6.61765
439 1CJW COT 0.005952 0.45035 6.62651
440 1R4A GNP 0.000000983 0.65124 6.66667
441 1QF9 ALF 0.0001374 0.54816 6.70103
442 1QF9 C5P 0.0001374 0.54816 6.70103
443 1QF9 ADP 0.0001374 0.54816 6.70103
444 3REF GDP 0.000001219 0.4256 6.70103
445 1X1R GDP 0.0000007096 0.67003 6.74157
446 4XPL ACO 0.02883 0.40488 6.74847
447 3FJO FMN 0.01722 0.41287 6.76056
448 1I4D GDP 0.0000004682 0.64441 6.77083
449 1XTQ GDP 0.000001076 0.64951 6.77966
450 4Q1A UDP 0.0001422 0.61359 6.78571
451 4Q1A 2XZ 0.0001422 0.61359 6.78571
452 1Q2D COA 0.01379 0.41238 6.79012
453 1QSR ACO 0.02225 0.40874 6.79012
454 5KUT GDP 0.000000135 0.67737 6.87831
455 1Z0A GDP 0.0000001343 0.67974 6.89655
456 5HPY GDP 0.000002693 0.61768 6.89655
457 4R3L COA 0.0185 0.43393 6.93642
458 3B9Q MLI 0.00001479 0.53705 6.95364
459 4POO SAM 0.01915 0.42257 7
460 2B4D COA 0.001246 0.47937 7.01754
461 2CE7 ADP 0.000001024 0.63818 7.04225
462 4AG5 ADP 0.0000001586 0.59275 7.04225
463 4A4Z ANP 0.0001224 0.51744 7.04225
464 1FNN ADP 0.000002146 0.43643 7.04225
465 1G4U GDP 0.00001678 0.41669 7.06522
466 3RAB GNP 0.000001021 0.65651 7.10059
467 4V0K GDP 0.000003692 0.40253 7.10059
468 1KY3 GDP 0.0000001323 0.68636 7.14286
469 4QRH 0O2 0.0001167 0.53576 7.14286
470 3QBT GNP 0.000000254 0.41993 7.14286
471 1FQJ GDP 0.000007291 0.4031 7.14286
472 5L3R GCP 0.000008019 0.40469 7.16724
473 1DS6 GDP 0.000000442 0.65142 7.22222
474 4P32 ADP 0.000001012 0.65439 7.22892
475 3Q72 GNP 0.0000004171 0.63501 7.22892
476 1Z0K GTP 0.0000005416 0.6655 7.24638
477 5NUL FMN 0.003818 0.44378 7.24638
478 4OR7 NAP 0.03784 0.40702 7.27273
479 3ZJ0 ACO 0.005116 0.44966 7.28155
480 4U5X GNP 0.000002807 0.61826 7.30337
481 2FJU GSP 0.000003588 0.61684 7.30337
482 1GWN GTP 0.000001347 0.63991 7.31707
483 1VHT BA3 0.000007707 0.57325 7.33945
484 1VKJ A3P 0.0008801 0.48228 7.36842
485 1OE0 TTP 0.0002666 0.52113 7.3913
486 1CR1 TTP 0.000001536 0.63711 7.43243
487 2HF9 GSP 0.000008636 0.43661 7.52212
488 1Z6T ADP 0.000003168 0.44046 7.60563
489 1SVI GDP 0.0000003776 0.64541 7.69231
490 5GVR LMR 0.00008824 0.44348 7.69231
491 4LC1 GDP 0.0000002285 0.52879 7.71513
492 1W0J ADP BEF 0.000002004 0.63012 7.72059
493 2V7Q ADP 0.000001758 0.61771 7.72059
494 2V7Q ATP 0.000004172 0.60066 7.72059
495 1W0J ADP 0.000005545 0.59742 7.72059
496 2CK3 ANP 0.0000023 0.43385 7.72059
497 2CK3 ADP 0.000002749 0.40719 7.72059
498 1YZG GDP 0.0000005222 0.64615 7.82123
499 3BD9 A3P 0.0009645 0.46964 7.85714
500 3T5G GDP 0.000000458 0.65382 7.89474
501 1KSH GDP 0.000001223 0.63919 7.89474
502 5UQW GDP 0.0000001397 0.70522 7.93651
503 4DSU GDP 0.0000002297 0.6968 7.93651
504 4CVN ADP 0.000001086 0.53687 8.0292
505 1MH1 GNP 0.00000472 0.61916 8.06452
506 1L2T ATP 0.000001881 0.40355 8.08511
507 2VBU CDP 0.03463 0.4147 8.08823
508 2C5L GTP 0.0000007938 0.6638 8.09249
509 5TB5 GDP 0.0000002113 0.67085 8.10811
510 5TAR GDP 0.0000001854 0.48857 8.10811
511 1M7B GTP 0.0000008598 0.43974 8.15217
512 4K81 GTP 0.00000213 0.64023 8.18713
513 4PX9 ADP 0.000005478 0.58657 8.21918
514 1S7N COA 0.003074 0.45292 8.24176
515 2BCG GDP 0.0000001662 0.46801 8.25243
516 1NRJ GTP 0.000003224 0.6201 8.25688
517 3BOS CDP 0.00000103 0.63274 8.26446
518 3TO7 COA 0.01934 0.41323 8.33333
519 1NVU GTP 0.0000003548 0.68687 8.43373
520 1NVV GNP 0.0000009712 0.65796 8.43373
521 1CLU DBG 0.000002948 0.65198 8.43373
522 1WQ1 AF3 0.001798 0.43219 8.43373
523 1WQ1 GDP 0.0000003205 0.43131 8.43373
524 3BFV ADP 0.00000408 0.59471 8.48709
525 2ODE ALF GDP 0.000006778 0.61551 8.51064
526 1M7G ADP 0.000004856 0.62769 8.53081
527 1M7G ADX 0.000006756 0.62227 8.53081
528 1M7G AV2 0.000001183 0.62128 8.53081
529 4MCC 21X 0.01791 0.41787 8.53659
530 2GQT FAD 0.0141 0.45388 8.58209
531 2HT6 GDP 0.0000001393 0.66756 8.62069
532 1D5C GDP 0.0000006679 0.65165 8.64198
533 4QOS ADP 0.000006506 0.45266 8.67924
534 2ZEJ GDP 0.0000005295 0.67749 8.69565
535 5TIV A3P 0.0007704 0.51724 8.69565
536 1JJV ATP 0.000002515 0.587 8.73786
537 1ZIN AP5 0.00001998 0.60663 8.75576
538 4ZNL BEF ADP 0.000004714 0.59558 8.75912
539 5XCO GDP 0.0000001395 0.68351 8.77193
540 1YRB GDP 0.0000001189 0.69104 8.77863
541 3FB4 AP5 0.00003745 0.58855 8.7963
542 5L3W GDP 0.000003492 0.60196 8.82353
543 2BL9 NDP 0.04419 0.40683 8.82353
544 2BL9 CP6 0.04419 0.40683 8.82353
545 3QKT ANP 0.000001429 0.65448 8.84956
546 1RYH GNP 0.000001406 0.62617 8.86699
547 5O2T GSP 0.0000005255 0.67383 8.87574
548 3DLG GWE 0.02766 0.43799 9.01408
549 5UFQ GNP 0.000000489 0.67245 9.03614
550 4R2I ANP 0.0007048 0.46778 9.04762
551 1VG8 GNP 0.0000002354 0.69638 9.17874
552 1VG0 GDP 0.0000001388 0.68558 9.17874
553 3DDC GNP 0.0000007643 0.6641 9.20245
554 4M9Q GNP 0.000001122 0.42781 9.2511
555 2FH5 GTP 0.000002356 0.62203 9.34579
556 5CUQ NSC 0.03458 0.40566 9.3633
557 3E8N ATP 0.01116 0.45292 9.38416
558 3E8N VRA 0.01116 0.45292 9.38416
559 4KFU ACP 0.000001055 0.61892 9.43396
560 1ZD9 GDP 0.000001243 0.44217 9.57447
561 2IS6 ADP 0.000002591 0.60359 9.57747
562 1P3D ANP 0.01277 0.42677 9.57747
563 3WLE NAD 0.02197 0.41633 9.67742
564 5H56 TYD 0.000002406 0.64839 9.74359
565 5H56 ADP 0.000002406 0.64839 9.74359
566 2FSH ANP 0.00001822 0.55967 9.85915
567 1GQY ACP 0.01286 0.42163 9.85915
568 1PIG AGL GLC HMC AGL GLC BGC 0.02996 0.41903 9.85915
569 3KUD GDP 0.0000003596 0.67023 9.87654
570 4KOT CE3 0.000892 0.51041 9.87654
571 2CJW GDP 0.00000009846 0.68406 9.89583
572 1J0D 5PA 0.01403 0.42612 9.97067
573 1R2Q GNP 0.0000007998 0.67854 10
574 4B5P ACO 0.0115 0.43078 10
575 1TIQ COA 0.007515 0.42577 10
576 5GK9 ACO 0.0285 0.40998 10
577 1YVD GNP 0.0000002684 0.68928 10.0592
578 3F6R FMN 0.01247 0.41859 10.1351
579 1NY5 ADP 0.00001221 0.58172 10.1408
580 1NF3 GNP 0.000004428 0.6225 10.1562
581 2CHG ANP 0.000002618 0.62051 10.177
582 3FWY ADP 0.000001215 0.63337 10.1911
583 3KAP FMN 0.008652 0.43437 10.2041
584 1N62 FAD 0.03462 0.41746 10.241
585 1VG1 GDP 0.00000006042 0.69925 10.2703
586 1VG9 GDP 0.0000001087 0.68241 10.2703
587 4TMK T5A 0.0008454 0.49524 10.3286
588 2QN6 GDP 0.0000002813 0.65313 10.4225
589 4RD0 GDP 0.000001651 0.63448 10.4225
590 5KSP GDP 0.00000455 0.59522 10.4225
591 5KSZ GCP 0.00001633 0.56631 10.4225
592 5BQ5 ADP BEF 0.0000006748 0.48304 10.582
593 1T3Q FAD 0.03299 0.41635 10.7143
594 4DCT GDP 0.000001657 0.61397 10.9859
595 3KTA AP5 0.0000003422 0.47518 10.989
596 1XEX ATP 0.0000009002 0.40083 10.989
597 5L3V GDP 0.000001632 0.61962 11.0368
598 5L3S GNP 0.000007333 0.60278 11.0738
599 5L3S G 0.01014 0.40227 11.0738
600 1YZQ GNP 0.000002657 0.63482 11.1765
601 3C5E ATP 0.0484 0.42249 11.2676
602 2VBA P4T 0.03078 0.4093 11.2676
603 4YMU ATP 0.0000006824 0.634 11.3636
604 1AKV FMN 0.01945 0.41572 11.5646
605 3IUY AMP 0.0004668 0.46814 11.8421
606 2ZE7 DST 0.0004265 0.51012 11.8577
607 2ZE7 AMP 0.0003968 0.51012 11.8577
608 3LKZ SFG 0.02613 0.41013 12.1127
609 3NIM ARG ARG ALA ALA 0.003734 0.43438 12.1951
610 1FFU FAD 0.03437 0.41423 12.2699
611 4PFO ADP 0.00000001589 0.75911 12.3944
612 2VB6 ADP BEF 0.0000000132 0.758 12.3944
613 4IOK ADP 0.0002522 0.52795 12.3944
614 4IOK XPO 0.0002016 0.52795 12.3944
615 2Z5F A3P 0.0003746 0.50601 12.4161
616 2A5F GTP 0.0000009936 0.65467 12.4352
617 3IP8 B85 0.02221 0.40213 12.5
618 2ZFZ ARG 0.01674 0.47005 12.6582
619 4W93 3L9 0.0141 0.43522 12.6761
620 1O94 ADP 0.02502 0.40337 12.8788
621 2P8O BVA 0.02728 0.42602 12.9771
622 1S8F GDP 0.00000101 0.6612 12.9944
623 3N39 FMN 0.04062 0.40295 13.0719
624 4HDO GNP 0.000001663 0.64542 13.1737
625 5JPH COA 0.03383 0.40019 13.8889
626 4OI4 ATP 0.00001558 0.58038 13.913
627 1TU3 GNP 0.0000009529 0.65641 13.9241
628 5FVJ ACO 0.006671 0.44376 14.4578
629 2XAU ADP 0.0000003491 0.65941 14.6479
630 1HE1 GDP 0.000002793 0.42559 14.8148
631 2ZJ5 ADP 0.009148 0.41199 14.9296
632 3RG9 NDP 0.01751 0.43065 15
633 3RG9 WRA 0.01891 0.43065 15
634 1ZC3 GNP 0.000001269 0.65254 15.0442
635 1CXZ GSP 0.000004805 0.60445 15.1163
636 3GJ4 GDP 0.0000002814 0.65885 15.1515
637 2F9L GDP 0.0000001535 0.69786 15.5779
638 3QF7 ANP 0.0000008877 0.65259 16
639 4HI0 GDP 0.000000304 0.44747 16.0804
640 5KDO GDP 0.00000157 0.43031 16.2162
641 1YZN GNP 0.0000002688 0.41305 16.2162
642 1OIX GDP 0.0000001965 0.69794 16.2304
643 1OIV GDP 0.0000005145 0.67004 16.2304
644 2QTV GNP 0.00000164 0.64498 16.3265
645 1GOT GDP 0.000002845 0.62553 16.4384
646 1IN4 ADP 0.000001864 0.6339 16.7665
647 2PAV ATP 0.03992 0.40133 17.2662
648 3MJH GTP 0.0000004956 0.41488 17.6471
649 3H86 AP5 0.00006261 0.56507 17.7083
650 4LPS GDP 0.000001601 0.48821 17.7686
651 2HV8 GTP 0.0000003313 0.68299 18.0233
652 3WIS FMN 0.02343 0.41291 18.0905
653 2A9K GDP 0.0000004061 0.66349 18.7166
654 3F8K COA 0.01215 0.42594 18.75
655 2D7C GTP 0.0000002946 0.68566 19.0476
656 2W2X GSP 0.000005281 0.59904 19.3548
657 4C4P GNP 0.0000003481 0.68394 19.6262
658 4MKG AP5 0.00002824 0.59646 19.8157
659 3PQC GDP 0.000002321 0.46887 20
660 1F6B GDP 0.0000005621 0.64632 20.202
661 1F2U ATP 0.000002471 0.6436 20.2703
662 3IIJ ADP 0.000000346 0.65715 20.5556
663 1U8Z GDP 0.0000009005 0.42262 20.8333
664 4MKF AP5 0.00003961 0.58763 21.659
665 1G16 GDP 0.000000213 0.6874 25.8824
666 2UZI GTP 0.0000004272 0.67751 25.9615
667 3M1I GTP 0.000001448 0.65131 27.2251
668 3ZIA ADP 0.000004126 0.60554 32.7869
669 3ZIA ATP 0.000005839 0.58917 32.7869
670 1Z0J GTP 0.0000001927 0.4154 33.8983
671 5UWH GNP 0.000001198 0.6564 37.0629
672 5UWI GNP 0.000001192 0.65612 37.0629
673 5UWW GNP 0.00000128 0.65354 37.0629
674 5UWR GNP 0.000001332 0.65292 37.0629
675 5UWP GNP 0.000001434 0.65289 37.0629
676 5DIF GNP 0.000001361 0.65202 37.0629
677 5UWU GNP 0.000001383 0.6517 37.0629
678 5UWS GNP 0.000001542 0.65136 37.0629
679 5UWO GNP 0.000001466 0.65047 37.0629
680 5UWT GNP 0.000001483 0.65017 37.0629
681 5DI9 GNP 0.00000199 0.64404 37.0629
682 5DHF GNP 0.000001987 0.6414 37.0629
683 4HAT GNP 0.000001442 0.65287 37.8571
684 2NCD ADP 0.000000000002845 0.79864 44.7887
685 3DC4 ADP 0.000000005057 0.74034 45.6395
Pocket No.: 2; Query (leader) PDB : 3LRE; Ligand: ADP; Similar sites found: 47
This union binding pocket(no: 2) in the query (biounit: 3lre.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3T3C 017 0.03794 0.40259 None
2 1B8O IMH 0.03226 0.40331 1.40845
3 1LTH NAD 0.03442 0.40471 1.5674
4 1IWE IMP 0.04668 0.43506 1.97183
5 1H82 FAD 0.04664 0.42618 1.97183
6 1H82 GZZ 0.0499 0.42618 1.97183
7 2J5V PCA 0.02274 0.40009 1.97183
8 1XNG ATP 0.02699 0.40371 2.23881
9 1GV0 NAD 0.03575 0.40716 2.25806
10 2V5K OXM 0.01033 0.40376 2.43902
11 2C7G FAD 0.0362 0.42224 2.53521
12 2C7G ODP 0.03533 0.42224 2.53521
13 4USQ FAD 0.0471 0.40849 2.53521
14 3H8V ATP 0.02067 0.4023 2.73973
15 2JBH 5GP 0.02029 0.40297 3.55556
16 1TLL FMN 0.03853 0.40164 3.66197
17 2X4Z X4Z 0.03625 0.40572 3.71622
18 2CWH PYC 0.04513 0.41571 3.79009
19 2NGR AF3 0.01406 0.40835 3.84615
20 2PZ8 APC 0.005042 0.44339 3.87324
21 4AF0 IMP 0.01839 0.41806 3.94366
22 3Q9N COA 0.03689 0.40565 4.25532
23 4EN4 GT1 0.02606 0.4277 4.48718
24 4EN4 ATP 0.02606 0.4277 4.48718
25 4EN4 GT0 0.02606 0.4277 4.48718
26 1DJN ADP 0.04382 0.4011 4.50704
27 5JFL NAD 0.04003 0.40328 4.77099
28 1CMC SAM 0.02648 0.4094 4.80769
29 1PNO NAP 0.04363 0.40065 5
30 5BR7 FLC 0.03358 0.42694 5.07042
31 3QDK QDK 0.005628 0.40624 5.07042
32 2BSA FAD 0.04738 0.40738 5.28053
33 2BSA NAP 0.04862 0.40738 5.28053
34 1H2B NAJ 0.03976 0.40182 5.35211
35 5H86 BCO 0.02644 0.41025 5.35714
36 1MJH ATP 0.03123 0.40681 5.55556
37 4KVX ACO 0.00874 0.43563 5.76923
38 1DXY NAD 0.02054 0.41367 6.00601
39 4UA3 COA 0.01658 0.41212 6.18557
40 1KYQ NAD 0.02065 0.40158 6.93431
41 5L95 AMP 0.02227 0.40211 7.5
42 1X14 NAD 0.01776 0.40076 7.60563
43 2JDC CAO 0.0325 0.40918 8.21918
44 1OFD FMN 0.03236 0.41065 9.57747
45 1OFD AKG 0.02985 0.41065 9.57747
46 3AD8 NAD 0.02188 0.42147 14.1414
47 2FAV APR 0.03423 0.40813 22.7778
Pocket No.: 3; Query (leader) PDB : 3LRE; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3lre.bio3) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3LRE; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3lre.bio3) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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