Receptor
PDB id Resolution Class Description Source Keywords
1R0X 2.2 Å NON-ENZYME: OTHER CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) N BINDING DOMAIN ONE (NBD1) WITH ATP MUS MUSCULUS ABC TRANSPORTER NUCLEOTIDE BINDING DOMAIN TRANSPORT PROTEIN
Ref.: STRUCTURE OF NUCLEOTIDE-BINDING DOMAIN 1 OF THE CYS FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR. EMBO J. V. 23 282 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:10;
A:5;
B:6;
C:7;
D:8;
D:9;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
60.052 C2 H4 O2 CC(=O...
ATP A:1;
B:2;
C:3;
D:4;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 149 uM
507.181 C10 H16 N5 O13 P3 c1nc(...
MG A:13;
B:11;
C:12;
D:14;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1R0X 2.2 Å NON-ENZYME: OTHER CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) N BINDING DOMAIN ONE (NBD1) WITH ATP MUS MUSCULUS ABC TRANSPORTER NUCLEOTIDE BINDING DOMAIN TRANSPORT PROTEIN
Ref.: STRUCTURE OF NUCLEOTIDE-BINDING DOMAIN 1 OF THE CYS FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR. EMBO J. V. 23 282 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 1R0X Kd = 149 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1R0Z - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1Q3H - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2PZE Kd = 0.84 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2PZF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 2PZG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1XMI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 2BBS - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 4WZ6 Kd = 1.4 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 2BBT - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 1XMJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
9 1R0X Kd = 149 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 1R0Z - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 1Q3H - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2CBZ Kd = 118 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2FFB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 2PMK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1XEF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 2FF7 Kd = 7.1 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 2FFA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 3NHA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 3NH9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
9 2PZE Kd = 0.84 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 2PZF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 2PZG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 1XMI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 2BBS - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 4WZ6 Kd = 1.4 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 2BBT - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 1XMJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 4U00 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 1R0X Kd = 149 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 1Q3H - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
20 3TIF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 1L2T Kd ~ 800 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1R0X; Ligand: ATP; Similar sites found: 330
This union binding pocket(no: 1) in the query (biounit: 1r0x.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZJ6 G3D 0.0001301 0.46719 None
2 4U5X GNP 0.0002397 0.42114 None
3 2ZR9 DTP 0.00006298 0.49517 1.04895
4 1D2E GDP 0.0001309 0.44609 1.3986
5 3VPD BUA 0.004565 0.40373 1.42349
6 2WJG GDP 0.000377 0.45954 1.59574
7 2FAH GDP 0.0001525 0.44432 1.74825
8 2FSH ANP 0.003057 0.42756 1.74825
9 5XCO GDP 0.0001571 0.44446 1.75439
10 2WJH GDP 0.001053 0.45516 1.80723
11 2WJH FLC 0.001752 0.447 1.80723
12 5UFQ GNP 0.00007723 0.40078 1.80723
13 1KK1 GNP 0.00005176 0.5117 2.0979
14 2IS6 ADP 0.00007924 0.48892 2.0979
15 1YZG GDP 0.0001762 0.46215 2.23464
16 2VVG ADP 0.000002589 0.59799 2.44755
17 3COB ADP 0.00001118 0.56256 2.44755
18 2NCD ADP 0.00001386 0.55286 2.44755
19 4FRZ ADP 0.00001653 0.54929 2.44755
20 3ZFD ANP 0.00002745 0.53462 2.44755
21 2CE7 ADP 0.0000415 0.5259 2.44755
22 2Q2Y MKR 0.0005162 0.5076 2.44755
23 2Q2Y ADP 0.0005441 0.5076 2.44755
24 1XP8 AGS 0.00009894 0.49834 2.44755
25 2HCJ GDP 0.0001315 0.49248 2.44755
26 1D8T GDP 0.0002099 0.46992 2.44755
27 2BVN GNP 0.00008172 0.45127 2.44755
28 3FYH ADP 0.00001528 0.42915 2.44755
29 4P4T GDP 0.0002984 0.41737 2.44755
30 1Y3A GDP 0.0001741 0.40365 2.44755
31 1RYH GNP 0.0005838 0.4302 2.46305
32 2WIC GNP 0.00005049 0.4837 2.62172
33 3A1S GDP 0.0006979 0.43369 2.71318
34 2BEK ATP 0.00008021 0.41797 2.72374
35 1T5C ADP 0.000002372 0.60317 2.7972
36 1SKQ GDP 0.0001498 0.48978 2.7972
37 1MKY GDP 0.0002542 0.46628 2.7972
38 1FP6 ADP 0.000131 0.44523 2.7972
39 2C77 GNP 0.0001361 0.41763 2.7972
40 5HR5 ADP 0.0004441 0.41755 2.7972
41 2C78 GNP 0.0001192 0.41211 2.7972
42 1IHU AF3 0.0002259 0.40583 2.7972
43 1IHU ADP 0.0001879 0.40281 2.7972
44 1NJF AGS 0.00005386 0.53322 2.8
45 1NJF ADP 0.0001643 0.50453 2.8
46 1GHE ACO 0.01571 0.41311 2.82486
47 1HE1 GDP 0.000326 0.41001 2.84091
48 2FFQ GSP 0.0002808 0.50512 2.92398
49 2GDJ ANP 0.000002109 0.56001 3.0303
50 5EP2 AZU 0.0006703 0.40212 3.125
51 3TK1 GDP 0.0004215 0.47495 3.14685
52 1G41 ADP 0.00009874 0.46278 3.14685
53 5KSZ GCP 0.000162 0.45145 3.14685
54 4KBF AMP 0.001985 0.43648 3.14685
55 4NCN GTP 0.0001412 0.4034 3.14685
56 5BQ5 ADP BEF 0.000219 0.44677 3.1746
57 5GVR LMR 0.0002619 0.47277 3.4188
58 1SQ5 ADP 0.00002198 0.50132 3.4965
59 5M04 GDP 0.0001472 0.49015 3.4965
60 3MD0 GDP 0.0001683 0.48738 3.4965
61 4LC1 GDP 0.0001594 0.4763 3.4965
62 4R43 GDP 0.0008928 0.44211 3.4965
63 1GOT GDP 0.0001406 0.41386 3.4965
64 4RD0 GDP 0.0001052 0.41342 3.4965
65 3T1O GDP 0.00004516 0.52412 3.53535
66 3T12 GDP ALF 0.00007797 0.41578 3.53535
67 1KAO GDP 0.0002306 0.43038 3.59281
68 4MKF AP5 0.00006578 0.55754 3.68664
69 2FH5 GTP 0.0003038 0.41103 3.78378
70 3A4M ADP 0.00004368 0.52302 3.84615
71 2DPY ADP 0.0004574 0.47322 3.84615
72 3KJI ADP 0.001175 0.45782 3.93701
73 1S8F GDP 0.0004 0.43796 3.9548
74 4ZNL BEF ADP 0.0001159 0.46762 4.0146
75 1I4D GDP 0.0009948 0.45073 4.01786
76 5E5U MLI 0.001935 0.40412 4.0201
77 3Q85 GNP 0.00006947 0.49179 4.14201
78 5CK5 GDP 0.0001053 0.49705 4.1958
79 1Z6T ADP 0.00007735 0.44868 4.1958
80 1W5T ADP 0.00005693 0.44659 4.1958
81 2XAU ADP 0.0004146 0.44168 4.1958
82 1W5T ANP 0.00003827 0.43684 4.1958
83 3E70 GDP 0.0007431 0.43669 4.1958
84 4YS0 ADP 0.001159 0.40665 4.1958
85 1YRB GDP 0.00002956 0.47152 4.19847
86 2IYL GDP 0.0006194 0.44899 4.22535
87 1M7B GTP 0.0001779 0.41499 4.34783
88 1GXU 2HP 0.000394 0.46994 4.3956
89 1H65 GDP 0.0002146 0.40607 4.44444
90 3GJ4 GDP 0.000118 0.4817 4.52489
91 3GJ5 GDP 0.00013 0.46788 4.52489
92 3GJ8 GDP 0.0001458 0.46589 4.52489
93 2OG2 MLI 0.0000509 0.54317 4.54545
94 3DC4 ADP 0.00003817 0.52588 4.54545
95 1BG2 ADP 0.000001581 0.51346 4.54545
96 3B9Q MLI 0.0002157 0.51025 4.54545
97 4LPS GDP 0.00001223 0.50958 4.54545
98 1XMV ADP 0.00001419 0.50955 4.54545
99 1YTM ATP 0.00003075 0.44152 4.54545
100 2J0W ASP 0.007474 0.42724 4.54545
101 1J99 AND 0.01441 0.42566 4.54545
102 1G4U GDP 0.0002675 0.41914 4.54545
103 4A4Z ANP 0.003273 0.41889 4.54545
104 5HCN GCP 0.0003381 0.45207 4.5977
105 2ZE7 AMP 0.004857 0.44055 4.74308
106 2ZE7 DST 0.005208 0.44055 4.74308
107 3BFV ADP 0.0001532 0.47588 4.79705
108 4WOP CTP 0.0002061 0.4138 4.88889
109 2RCN GDP 0.0001156 0.48218 4.8951
110 3FWY ADP 0.00007324 0.44667 4.8951
111 5I0H ADP BEF 0.00008794 0.42651 4.8951
112 4QOS ADP 0.000228 0.44934 4.90566
113 2W58 ADP 0.000003939 0.59336 4.9505
114 5N69 ADP 0.00001903 0.47644 5.02513
115 2KIN ADP 0.00000433 0.58769 5.04202
116 4TTQ ATP 0.0004111 0.45763 5.11628
117 2XTN GTP 0.0001758 0.40601 5.12821
118 3G9E RO7 0.04323 0.40155 5.16605
119 3B7G ANP 0.0008921 0.43566 5.21739
120 5L3W GDP 0.001036 0.42068 5.22876
121 2A5J GDP 0.000148 0.45606 5.2356
122 2Y65 ADP 0.000009508 0.50228 5.24476
123 4FCW ADP 0.0001065 0.47226 5.24476
124 4LJ9 ACP 0.0003713 0.45924 5.24476
125 5L3V GDP 0.0001954 0.45197 5.24476
126 3TBK ANP 0.001491 0.44815 5.24476
127 2C04 GCP 0.001555 0.40275 5.24476
128 5KSP GDP 0.0001318 0.46647 5.26316
129 2B4D COA 0.004908 0.43347 5.26316
130 3RAB GNP 0.0003238 0.50017 5.32544
131 3BOS CDP 0.0000355 0.50405 5.3719
132 4NON GDP 0.0004898 0.45459 5.38462
133 3Q72 GNP 0.00007469 0.50414 5.42169
134 4B47 GDP 0.0001898 0.4849 5.50964
135 4HI0 GDP 0.00006705 0.43201 5.52764
136 1RRC ADP 0.000009187 0.50379 5.59441
137 5LB3 ADP 0.0005264 0.46386 5.59441
138 4DID GDP 0.0004575 0.44559 5.69948
139 2HT6 GDP 0.00004971 0.51253 5.74713
140 1Z0A GDP 0.00005138 0.47208 5.74713
141 2CHG ANP 0.00005787 0.44995 5.75221
142 2NGR GDP 0.0002283 0.45715 5.75916
143 1A4R GNH 0.00006802 0.4488 5.75916
144 1A4R GDP 0.00005191 0.4478 5.75916
145 1GRN GDP 0.0003431 0.42205 5.75916
146 4ITR GDP 0.0007359 0.40741 5.75916
147 1W0J ADP 0.00008014 0.51481 5.94406
148 1W0J ADP BEF 0.0001145 0.51229 5.94406
149 4DNJ ANN 0.009752 0.4066 5.94406
150 1VHT BA3 0.0002881 0.44393 5.9633
151 3DEF GDP 0.0001764 0.44198 6.10687
152 3IIJ ADP 0.0001037 0.48477 6.11111
153 1FQJ GDP 0.00008962 0.41063 6.12245
154 1FQK GDP 0.0001152 0.4084 6.12245
155 3IUY AMP 0.005942 0.40164 6.14035
156 4R98 GNH 0.000644 0.44927 6.27306
157 1XX6 ADP 0.0009815 0.43985 6.28272
158 1GOJ ADP 0.000002163 0.60303 6.29371
159 2XT3 ADP 0.00001125 0.56004 6.29371
160 1F9V ADP 0.00003733 0.4955 6.29371
161 1JWY ADP 0.0000279 0.49513 6.29371
162 1JWY GDP 0.00006957 0.45614 6.29371
163 1XKV ATP 0.0002871 0.44523 6.29371
164 1TQ4 GDP 0.00008507 0.43023 6.29371
165 5L3R GCP 0.0001767 0.40571 6.29371
166 3GJ3 GDP 0.0001264 0.48037 6.33484
167 3GJ0 GDP 0.0001271 0.48016 6.33484
168 4D81 ADP 0.0001384 0.44524 6.36042
169 5BXQ GDP 0.0001895 0.46135 6.48148
170 2QZ4 ADP 0.00007251 0.4666 6.48855
171 1V8K ANP 0.00001513 0.52082 6.64336
172 4WZA ACP 0.0007525 0.51747 6.64336
173 4WZA ADP 0.0007675 0.517 6.64336
174 1G6O ADP 0.00002589 0.4829 6.64336
175 4IHQ ADP 0.0002381 0.48023 6.64336
176 1B7T ADP 0.00006098 0.47046 6.64336
177 1KK8 BEF ADP 0.0001214 0.44077 6.64336
178 2C9O ADP 0.00004803 0.43652 6.64336
179 3PQC GDP 0.00007026 0.46695 6.66667
180 1Z0F GDP 0.0000997 0.47198 6.70391
181 1U0J ADP 0.0007802 0.45575 6.74157
182 5KDO GDP 0.0001387 0.42044 6.75676
183 3ZJ0 ACO 0.01323 0.41841 6.79612
184 5UWT GNP 0.0002954 0.504 6.99301
185 5MZN ADP 0.001273 0.4515 6.99301
186 4IEE AGS 0.00111 0.44847 6.99301
187 4M9Q GNP 0.0003937 0.40035 7.04846
188 4KFU ACP 0.00009125 0.51263 7.07547
189 1RE0 GDP 0.00007036 0.50537 7.31707
190 1S9D GDP 0.0001576 0.46462 7.31707
191 4PFO ADP 0.0000677 0.5346 7.34266
192 1NY5 ADP 0.00001754 0.46939 7.34266
193 2QEN ADP 0.0001114 0.44089 7.34266
194 2VB6 ADP BEF 0.0001426 0.40648 7.34266
195 3H4S ADP 0.000004165 0.51732 7.40741
196 4TMK T5A 0.002105 0.46925 7.51174
197 2HF9 GSP 0.00001675 0.46727 7.52212
198 3RWO GDP 0.001293 0.40737 7.56757
199 1SVI GDP 0.0001 0.49811 7.69231
200 2ZPA ADP 0.0003135 0.49066 7.69231
201 4HSE ADP 0.00005391 0.48277 7.69231
202 1OFH ADP 0.00003793 0.4768 7.69231
203 1G7S GDP 0.0001667 0.46287 7.69231
204 1NRJ GTP 0.0001587 0.4188 7.69231
205 1G8S MET 0.004832 0.42834 7.82609
206 3T5G GDP 0.0002564 0.48752 7.89474
207 5KUT GDP 0.0002154 0.45886 7.93651
208 3UIE ANP 0.00003947 0.47873 8
209 3RC3 ANP 0.002466 0.43199 8.04196
210 2BCG GDP 0.0003504 0.41551 8.04196
211 4H1V GNP 0.001689 0.40157 8.04196
212 4CVN ADP 0.00006361 0.51505 8.37696
213 2ZFI ADP 0.00005668 0.49566 8.39161
214 2JLR ANP 0.0002479 0.43589 8.39161
215 2PL3 ADP 0.0003425 0.47273 8.47458
216 2A9K GDP 0.0001026 0.51217 8.55615
217 3KUD GDP 0.000253 0.41035 8.64198
218 1CR1 TTP 0.00005212 0.53161 8.74126
219 2UZI GTP 0.0002304 0.50766 8.77193
220 4QM7 GTP 0.00005962 0.49562 8.77193
221 1MR3 G3D 0.0004234 0.4479 8.83978
222 2PEZ DAT 0.0001278 0.53103 8.93855
223 5GJC ATP 0.00006734 0.49189 9.09091
224 3DZD ADP 0.00001358 0.48457 9.09091
225 1IN4 ADP 0.0001409 0.42659 9.09091
226 4ZG4 VO4 ADP 0.0001109 0.4099 9.09091
227 1PUJ GNP 0.00009699 0.44908 9.21986
228 1GWN GTP 0.0001135 0.51482 9.26829
229 1UPT GTP 0.0003265 0.40416 9.35672
230 4DCT GDP 0.0002459 0.45645 9.44056
231 4R2I ANP 0.00476 0.42351 9.52381
232 1CJW COT 0.01972 0.41366 9.63855
233 1DAR GDP 0.0008479 0.44435 9.79021
234 3EC1 GDP 0.002009 0.41775 9.79021
235 4BAS GNP 0.00009399 0.52115 10.0503
236 5TSH ADP 0.000205 0.49559 10.1399
237 5TSH ANP 0.00006734 0.49291 10.1399
238 4PJ3 ANP 0.0006247 0.4237 10.1399
239 2CJW GDP 0.0001271 0.48009 10.4167
240 2GCO GNP 0.000262 0.42475 10.4478
241 2GCN GDP 0.0001928 0.41056 10.4478
242 5FG3 GDP 0.0001495 0.48982 10.4895
243 3P4X ADP 0.0003375 0.47303 10.4895
244 1OYY AGS 0.001833 0.42787 10.4895
245 1KSH GDP 0.0002029 0.50228 10.5263
246 3DKP ADP 0.0002385 0.46861 10.6122
247 5TB5 GDP 0.0002653 0.44462 10.6667
248 2D2F ADP 0.000003908 0.58952 10.8
249 5TAR GDP 0.0002569 0.43576 10.8108
250 1KO8 6PG 0.0005825 0.47736 10.8571
251 1OW3 GDP 0.0001285 0.50735 10.8808
252 1M7G AV2 0.0000261 0.52582 10.9005
253 1D5C GDP 0.0001339 0.43676 11.1111
254 1W7J ADP BEF 0.0001005 0.44298 11.2583
255 5IRC GDP 0.0008545 0.42193 11.2903
256 4OI4 ATP 0.00007647 0.41256 11.3043
257 1U8Z GDP 0.0001674 0.40547 11.3095
258 4D0N GDP 0.0004244 0.47135 11.3514
259 5HPY GDP 0.0003106 0.4231 11.3514
260 3M1I GTP 0.0001871 0.51409 11.4155
261 1CXZ GSP 0.000219 0.40437 11.5385
262 1Z0K GTP 0.0001627 0.40649 11.5942
263 1JJV ATP 0.00001898 0.54688 11.6505
264 1ZD9 GDP 0.0001529 0.42797 11.7021
265 2WHX ADP 0.00005427 0.52373 11.8881
266 4AG5 ADP 0.000208 0.49512 11.8881
267 2GK6 ADP 0.001827 0.44384 11.8881
268 4BQS ADP 0.00006863 0.49239 11.9318
269 2W2X GSP 0.0002049 0.41493 12.0968
270 4XTR ADP 0.0001093 0.43237 12.1739
271 4XTR ATP 0.0001278 0.40803 12.1739
272 4XVU ATP 0.0001563 0.40681 12.1739
273 1VG0 GDP 0.0002804 0.48824 12.5604
274 1FNN ADP 0.0001408 0.43175 12.5874
275 3KTA AP5 0.000004383 0.50559 12.6374
276 3WXM GTP 0.000352 0.49833 12.9754
277 1VG9 GDP 0.0003105 0.48074 14.0541
278 1VG1 GDP 0.00009122 0.4749 14.0541
279 1I1N SAH 0.03395 0.40139 14.1593
280 1R6B ADP 0.00005587 0.48354 14.3357
281 2J0V GDP 0.0001957 0.49041 14.6226
282 3QKT ANP 0.0000342 0.42363 14.6853
283 1F6B GDP 0.0003786 0.4492 15.1515
284 3GJ7 GDP 0.0001172 0.4818 15.3061
285 1KY3 GDP 0.00008365 0.45787 15.9341
286 4PX9 ADP 0.0008306 0.45445 16.0839
287 2VHJ ADP 0.01069 0.41661 16.4336
288 3ZIA ATP 0.00009657 0.47225 17.8322
289 3ZIA ADP 0.00008409 0.4527 17.8322
290 3QDK QDK 0.007846 0.42437 17.8322
291 3AB3 GDP 0.00005295 0.53127 17.8862
292 2F9L GDP 0.0002788 0.40009 18.593
293 3W5J GDP 0.000004666 0.58452 18.6275
294 1FZQ GDP 0.000242 0.46779 18.7845
295 1ION ADP 0.0001059 0.45773 19.3416
296 1G3Q ADP 0.0001102 0.46877 19.4093
297 2G77 GDP 0.0002259 0.43061 19.697
298 2V7Q ADP 0.00007005 0.49078 20
299 2V7Q ATP 0.00008467 0.46456 20
300 2CK3 ANP 0.0001286 0.42725 20
301 2CK3 ADP 0.0001728 0.40026 20
302 1BO4 COA 0.006244 0.40349 20.2381
303 4C4P GNP 0.0003929 0.4977 21.3873
304 2HV8 GTP 0.0003024 0.50168 21.5116
305 2VF7 ADP 0.00001832 0.50606 22.3776
306 1LVG ADP 0.00001152 0.55129 22.7273
307 1XEX ATP 0.00000779 0.43226 23.2558
308 2QN6 GDP 0.0001135 0.4955 23.6559
309 1YQT ADP 0.00000165 0.5997 23.7762
310 2OM2 GDP 0.0001337 0.42144 25
311 1OXV ANP 0.000008281 0.5495 25.8741
312 2D7D ADP 0.001545 0.43341 26.2238
313 1G6H ADP 0.0000009446 0.62233 28.0156
314 1F2U ATP 0.00005271 0.40623 28.3784
315 3ZS9 ADP ALF 0.0001272 0.40239 28.9474
316 3QF7 ANP 0.00001907 0.46367 30
317 1DS6 GDP 0.0007018 0.44712 30
318 3CH5 GDP 0.0001628 0.46227 30.7692
319 5X40 ACP 0.00002529 0.55193 32.5175
320 2AWN ADP 0.0000003324 0.63539 33.9161
321 3RLF ANP 0.000001101 0.47678 33.9161
322 1B0U ATP 0.000008586 0.49994 37.4046
323 3FVQ ATP 0.000001164 0.49389 38.1119
324 2IXE ATP 0.00001311 0.44744 39.1144
325 3NHB ADP 0.000007721 0.56479 39.5105
326 1JI0 ATP 0.0000006462 0.61235 40
327 1JJ7 ADP 0.0000003454 0.63769 40.3846
328 4P32 ADP 0.00002041 0.44527 40.9639
329 4YMU ATP 0.00001751 0.53405 42.0833
330 3B5J 12D 0.000006218 0.56435 43.6214
Pocket No.: 2; Query (leader) PDB : 1R0X; Ligand: ATP; Similar sites found: 11
This union binding pocket(no: 2) in the query (biounit: 1r0x.bio3) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3R7F CP 0.01458 0.4046 2.0979
2 1O3Y GTP 0.0002601 0.4045 2.40964
3 1XTQ GDP 0.0003662 0.40028 3.9548
4 3REF GDP 0.0005161 0.40188 7.2165
5 2F5X ASP 0.01146 0.40731 8.01282
6 4GOX A3P 0.0006783 0.40005 8.04196
7 2BME GNP 0.0002325 0.40033 9.67742
8 1R4A GNP 0.0002458 0.40122 9.69697
9 2J5V PCA 0.03195 0.40348 9.79021
10 1J2J GTP 0.0003073 0.40224 11.1111
11 3BC1 GNP 0.0001163 0.40121 13.5593
Pocket No.: 3; Query (leader) PDB : 1R0X; Ligand: ATP; Similar sites found: 241
This union binding pocket(no: 3) in the query (biounit: 1r0x.bio5) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NU4 MLA 0.01508 0.44808 None
2 3KPE TM3 0.008118 0.43479 None
3 4Q3F TLA 0.01648 0.42022 None
4 2CCV A2G 0.0004732 0.41733 None
5 5D63 FUC GLA GLA 0.03265 0.40607 None
6 2BOI MFU 0.0252 0.40222 None
7 3L6R MLI 0.02865 0.41389 1.04895
8 1Y7I SAL 0.01779 0.40897 1.1194
9 1B74 DGN 0.004894 0.4586 1.1811
10 1E4E ADP 0.004753 0.40441 1.3986
11 1X8X TYR 0.01761 0.40077 1.3986
12 3VPD CIT 0.0104 0.45699 1.42349
13 3WKX FUB 0.04343 0.40012 1.74825
14 2QCX PF1 0.03244 0.40159 1.90114
15 1EB9 HBA 0.01235 0.40323 1.9084
16 4LBP 1WG 0.00002686 0.4441 2
17 3B8I OXL 0.01677 0.44551 2.0979
18 1PX8 XYP 0.004693 0.44011 2.0979
19 2BO4 FLC 0.01591 0.42649 2.0979
20 2ZI8 SDT 0.0001368 0.42334 2.0979
21 1LCP PLU 0.0007656 0.41077 2.0979
22 2JFV FLC 0.04234 0.40065 2.0979
23 3F81 STT 0.004846 0.46659 2.18579
24 1NXJ GLV 0.002428 0.44178 2.18579
25 1NXJ TLA 0.002365 0.42133 2.18579
26 2V9M CIT 0.0001686 0.48477 2.18978
27 3ACC 5GP 0.01183 0.41226 2.20994
28 4B16 NAG 0.04207 0.42326 2.25564
29 2J5S KTA 0.00125 0.42547 2.28137
30 3OZG SSI 0.002809 0.42055 2.4
31 1LYX PGA 0.008296 0.40628 2.41935
32 2OWZ CIT 0.002078 0.46272 2.44755
33 1TV5 ORO 0.0005351 0.44569 2.44755
34 2ZWS PLM 0.04592 0.42842 2.44755
35 1KC7 PPR 0.02003 0.42156 2.44755
36 3P3N AKG 0.01656 0.42012 2.44755
37 3CL5 SIO 0.02176 0.41979 2.44755
38 3IHB GLU 0.02696 0.4152 2.44755
39 2I4O ATP 0.008165 0.41472 2.44755
40 4AF0 MOA 0.001089 0.40922 2.44755
41 1T10 F6P 0.02404 0.4076 2.44755
42 4B7E OGA 0.02604 0.406 2.44755
43 4AP9 1PS 0.0001684 0.45232 2.48756
44 1QH9 LAC 0.0007626 0.48324 2.58621
45 2JBH 5GP 0.002623 0.44034 2.66667
46 1XX4 BAM 0.0008846 0.46983 2.68199
47 4LCQ URQ 0.000108 0.42635 2.7972
48 4G1V FAD 0.001441 0.42418 2.7972
49 1ML4 PAL 0.0009461 0.42383 2.7972
50 1O9U ADZ 0.03527 0.42084 2.7972
51 2WL9 MBD 0.0007931 0.41365 2.7972
52 1C3V PDC 0.0222 0.40919 2.85714
53 1ZS6 ADP 0.01147 0.41284 2.95858
54 2JGS BTN 0.02664 0.4033 3.07692
55 3IB9 BTN 0.0009242 0.49101 3.14685
56 1LTH FBP 0.0006174 0.48756 3.14685
57 1LTH OXM 0.001182 0.44963 3.14685
58 2Z5Y HRM 0.0002162 0.4175 3.14685
59 4QCK ASD 0.0006154 0.41375 3.14685
60 3JDW ORN 0.004748 0.41182 3.14685
61 2HFK E4H 0.01576 0.41131 3.14685
62 1Z45 GAL 0.02035 0.40636 3.14685
63 2BGM NAJ 0.0002979 0.42519 3.23741
64 1GU3 BGC BGC BGC BGC BGC 0.01804 0.40869 3.3557
65 1C3M MAN MAN 0.00006123 0.49003 3.40136
66 3CBG FER 0.04348 0.41596 3.44828
67 2VQ5 LDP 0.004488 0.46835 3.48259
68 2VQ5 HBA 0.01258 0.43149 3.48259
69 3H22 B53 0.005694 0.42124 3.4965
70 3PLN U5P 0.01132 0.41768 3.4965
71 1ONX ASP 0.0004574 0.41439 3.4965
72 1OMZ UD2 0.0004076 0.40974 3.4965
73 3A2Q ACA ACA 0.005635 0.40526 3.4965
74 3LTW HLZ 0.006185 0.44037 3.57143
75 4FGC PQ0 0.01411 0.41824 3.63636
76 2PYU IMP 0.01134 0.42259 3.65297
77 2JE7 XMM 0.001136 0.40226 3.76569
78 1A5V Y3 0.0005345 0.48312 3.79747
79 1FNZ A2G 0.0001208 0.44831 3.79747
80 2Q1A 2KT 0.00001111 0.48321 3.84615
81 4LHM AZZ 0.01649 0.41513 3.84615
82 2P69 PLP 0.01966 0.41162 3.84615
83 1OIK AKG 0.02877 0.40869 3.84615
84 3GTD MLI 0.02902 0.40382 3.84615
85 2PUL ACP 0.009418 0.40042 3.84615
86 1SS4 CIT 0.007388 0.44293 3.92157
87 1SS4 GSH 0.04659 0.42911 3.92157
88 4G28 0W8 0.02034 0.40212 4.02685
89 4JCA CIT 0.008971 0.46053 4.19162
90 4HE2 AMP 0.0000009515 0.47732 4.1958
91 1T3D CYS 0.002163 0.46891 4.1958
92 1W55 GPP 0.0007332 0.4477 4.1958
93 3VCA PRO 0.002941 0.44642 4.1958
94 2GN2 C5P 0.001015 0.43299 4.1958
95 2Q3M MLA 0.02305 0.43071 4.1958
96 3U1T MLI 0.01341 0.43014 4.1958
97 3ZGE ASP 0.03534 0.4148 4.1958
98 3BLI PYR 0.03579 0.4091 4.1958
99 4B9E FAH 0.04167 0.40581 4.1958
100 3BLI ACO 0.002347 0.40488 4.1958
101 1YOE RIB 0.01796 0.40446 4.1958
102 4BI7 PGA 0.009573 0.41623 4.28016
103 4U9W COA 0.001892 0.42292 4.34783
104 1Y1A GSH 0.03303 0.44084 4.37158
105 1JA9 PYQ 0.0003843 0.41016 4.37956
106 1A8S PPI 0.0003619 0.46805 4.3956
107 2PNZ 5GP 0.008001 0.41957 4.41767
108 2PNZ UDP 0.0005304 0.41578 4.41767
109 1Z44 NPO 0.03731 0.43372 4.54545
110 2BLE 5GP 0.0003148 0.42616 4.54545
111 3MTW M3R 0.002445 0.42286 4.54545
112 3VOZ 04A 0.002413 0.41899 4.54545
113 1PEA ACM 0.03977 0.41215 4.54545
114 3PNA CMP 0.01596 0.40667 4.54545
115 4CCO OGA 0.02789 0.40025 4.54545
116 1NPL MAN 0.001873 0.40819 4.58716
117 3EJ0 11X 0.01066 0.42129 4.59184
118 1ULE GLA GAL NAG 0.03521 0.41488 4.66667
119 1MZV AMP 0.01026 0.41058 4.68085
120 1P9B HDA 0.004349 0.44162 4.8951
121 3ZF8 GDP 0.004706 0.42469 4.8951
122 3BK2 U5P 0.0145 0.40039 4.8951
123 2FWP CIT 0.00007277 0.41252 4.91803
124 1XNK XS2 0.00534 0.40987 5.10204
125 4C25 13P 0.0001609 0.42127 5.18868
126 1GVF PGH 0.002127 0.4498 5.24476
127 3TKA CTN 0.02582 0.44026 5.24476
128 4ME6 ADP 0.02126 0.41006 5.24476
129 3B9Z CO2 0.02836 0.409 5.24476
130 1UQX MMA 0.001184 0.40805 5.30973
131 1NF8 BOG 0.01625 0.42604 5.31401
132 3NOJ PYR 0.01658 0.41263 5.46218
133 1JN2 SFP 0.001012 0.4422 5.48523
134 3I8T LBT 0.00002664 0.53374 5.4878
135 1GJW GLC 0.01139 0.43362 5.59441
136 3A1I UNU 0.004216 0.42668 5.59441
137 4Q3R XA2 0.0003359 0.42201 5.59441
138 1G0V NAG 0.04177 0.42126 5.59441
139 4KCF FMN 0.00003766 0.41011 5.59441
140 1UF5 CDT 0.01529 0.40333 5.59441
141 1Q11 TYE 0.02643 0.40129 5.59441
142 4Q3S X7A 0.001567 0.40099 5.59441
143 2BZ1 TAU 0.01141 0.46364 5.61225
144 1CBF SAH 0.005943 0.40809 5.61404
145 2HCR AMP 0.003972 0.42543 5.82822
146 4U36 TNR 0.00006616 0.44832 5.83333
147 3S9K CIT 0.0113 0.4537 5.9322
148 2NZ2 ASP 0.00002617 0.53408 5.94406
149 3VGL BGC 0.0001 0.42733 5.94406
150 3O03 GCO 0.03514 0.42093 5.94406
151 2NZ2 CIR 0.000346 0.41812 5.94406
152 1CKN GTP 0.01442 0.40857 5.94406
153 1JOT GAL A2G 0.000304 0.47414 6.01504
154 1SC3 MLI 0.004503 0.46044 6.17978
155 1HQL GLA MBG 0.02629 0.41574 6.22568
156 1Y8O ADP 0.0175 0.40088 6.25
157 2V5K OXM 0.0002247 0.47653 6.29371
158 2XDQ MGX 0.04113 0.41726 6.29371
159 2QLX RM4 0.01222 0.43212 6.48148
160 4F2Q QUS 0.009052 0.40478 6.58915
161 4QVH FLC 0.02573 0.44606 6.64336
162 3CXO 3LR 0.0001066 0.42652 6.64336
163 4WVH ASP HIS ASP ALA HIS ALA 0.006644 0.42304 6.64336
164 1IZC PYR 0.00073 0.42198 6.64336
165 5T0A A3P 0.005097 0.42099 6.64336
166 3CXO 1N5 0.0002674 0.40845 6.64336
167 1RYD GLC 0.02249 0.4138 6.71835
168 4AF5 CIT 0.006869 0.43822 6.84211
169 3VKX T3 0.001282 0.41921 6.89655
170 4JEJ 1GP 0.0107 0.40575 6.96721
171 2VAR AMP 0.00379 0.4286 6.99301
172 2VAR ANP 0.001665 0.41343 6.99301
173 4KOA NDP 0.005709 0.40505 6.99301
174 1I1Q TRP 0.02049 0.40199 6.99301
175 1Y9Q MED 0.02917 0.40841 7.29167
176 4CIB 7UZ 0.006416 0.4339 7.34266
177 4MOB ADP 0.003874 0.41324 7.34266
178 2G36 TRP 0.02171 0.40964 7.34266
179 4F8L GAL 0.03061 0.43876 7.58621
180 1QO0 BMD 0.03506 0.40459 7.65306
181 4RJK PYR 0.004656 0.4597 7.69231
182 43CA NPO 0.03041 0.44239 7.69231
183 4N02 FNR 0.0003747 0.41871 7.69231
184 3I7S PYR 0.03413 0.41558 7.69231
185 1KTC NGA 0.0135 0.4143 7.69231
186 3PHQ KDO 0.02159 0.45631 8.29493
187 1UUY PPI 0.0415 0.41705 8.38323
188 2OFE NAG 0.009901 0.43071 8.4507
189 2OFD NGA 0.04075 0.40145 8.4507
190 1Y75 NAG 0.009335 0.41669 8.47458
191 1MQ0 BRD 0.006474 0.41052 8.57143
192 3SQG COM 0.008618 0.46149 8.60215
193 2IZ1 ATR 0.005058 0.4445 8.74126
194 2QS8 MET 0.00007487 0.43103 8.74126
195 3UCJ AZM 0.008698 0.41801 8.81057
196 1NME 159 0.001956 0.43096 8.90411
197 3QDV NDG 0.003091 0.46133 9.09091
198 3MAG 3MA 0.01092 0.45582 9.09091
199 3QDW NDG 0.004291 0.45438 9.09091
200 3QDY CBS 0.01162 0.4332 9.09091
201 3QDV A2G 0.03297 0.42241 9.09091
202 2YIV NBN 0.02208 0.41949 9.09091
203 3QDY A2G GAL 0.03313 0.41624 9.09091
204 3QDW A2G 0.04706 0.41411 9.09091
205 3E81 SLB 0.02875 0.40401 9.14634
206 1OGD RIP 0.02277 0.40419 9.16031
207 2HVK TBA 0.00000376 0.5919 9.43396
208 3WUC GLC GAL 0.0166 0.42007 9.48905
209 4N69 SER 0.00699 0.43786 9.79021
210 1Y2W NAG 0.01742 0.41908 9.85915
211 3BY8 MLT 0.02592 0.41604 9.85915
212 3EYK EYK 0.0009411 0.47893 9.88372
213 3K3G MMU 0.005745 0.43337 10.1399
214 1V5F FAD 0.01471 0.40498 10.4895
215 1V5F TPP 0.01471 0.40498 10.4895
216 4LFL TG6 0.00499 0.42363 10.4938
217 1D3V ABH 0.0003585 0.42112 10.8392
218 4EKV BTN 0.00008247 0.41628 11.3208
219 1C1L GAL BGC 0.003304 0.45992 11.6788
220 1UO4 PIH 0.02486 0.43602 11.7647
221 1FWE HAE 0.01025 0.41494 11.8881
222 1LDM OXM 0.001271 0.44834 12.2378
223 1JGS SAL 0.03584 0.43475 12.3188
224 3UDG TMP 0.008943 0.45253 12.5874
225 1YRX FMN 0.007091 0.40515 13.2231
226 1UGX GAL MGC 0.000007388 0.46057 13.5338
227 2DTJ THR 0.001155 0.45005 14.0449
228 1DXY COI 0.04492 0.4152 14.6853
229 1H8G CHT 0.04589 0.42844 14.7368
230 3DGB MUC 0.01186 0.40394 15.035
231 1A5Z OXM 0.00006021 0.55534 16.4336
232 1A5Z FBP 0.001858 0.41542 16.4336
233 1ZFJ IMP 0.000008374 0.40779 16.7832
234 1QDS PGA 0.01257 0.40689 17.1315
235 1H8P PC 0.02396 0.42982 18.3486
236 4CCN OGA 0.01511 0.42202 20
237 2W8Q SIN 0.0004017 0.43896 20.2797
238 2IMP LAC 0.00007209 0.46535 22.7273
239 1H2M OGA 0.01855 0.41777 25
240 1JAC AMG 0.01941 0.44199 30
241 1H2K OGA 0.01819 0.41818 31.7073
Pocket No.: 4; Query (leader) PDB : 1R0X; Ligand: ATP; 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: 1r0x.bio5) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1R0X; Ligand: ATP; Similar sites found: 69
This union binding pocket(no: 5) in the query (biounit: 1r0x.bio6) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UW1 ADP 0.0143 0.41797 None
2 3RGG AIR 0.01489 0.40382 None
3 2YD6 FLC 0.008253 0.46615 0.943396
4 4O8A 2OP 0.03571 0.42055 1.74825
5 1NX4 AKG 0.01483 0.41724 1.8315
6 4COQ SAN 0.01703 0.41954 2.42915
7 3IHB TRS 0.0002766 0.58772 2.44755
8 3ZPG 5GP 0.02906 0.42535 2.44755
9 9LDT OXM 0.04024 0.42434 2.44755
10 9LDB OXM 0.04122 0.42376 2.44755
11 2XUM OGA 0.01453 0.42281 2.44755
12 1TV5 A26 0.00198 0.40737 2.44755
13 2Y0I AKG 0.02696 0.4053 2.44755
14 3P7I P7I 0.0221 0.40476 2.44755
15 1NNS ASP 0.01751 0.40088 2.45399
16 4BT5 23B 0.0184 0.404 2.72374
17 1Z6K OAA 0.0003183 0.47034 2.7972
18 1NML CIT 0.01883 0.40787 2.7972
19 4A3R CIT 0.0001384 0.40278 2.7972
20 1BTN I3P 0.000705 0.54121 2.83019
21 4JWX 1N4 0.01464 0.41273 2.85714
22 1ZUW DGL 0.01659 0.40594 2.94118
23 2EB5 OXL 0.03968 0.40201 2.99625
24 2XNJ FAD 0.02751 0.4049 3.00752
25 3LM9 ADP 0.007753 0.41142 3.14685
26 4R3L COA 0.006729 0.40418 3.46821
27 4W6Z ETF 0.009668 0.45074 3.4965
28 1FP1 SAH 0.002373 0.42335 3.4965
29 4M5P 23W 0.03188 0.4171 3.4965
30 3CL7 HYN 0.00001823 0.41413 3.4965
31 1QW9 KHP 0.001684 0.40001 3.4965
32 1WHT BZS 0.0086 0.4336 3.51562
33 2CW6 3HG 0.01211 0.44555 3.84615
34 3QV9 QV7 0.007771 0.4301 3.84615
35 1VBH PEP 0.01481 0.41727 3.84615
36 1JSH SIA GAL 0.002859 0.40199 3.97727
37 4FUA PGH 0.0007096 0.40854 4.18605
38 3SHR CMP 0.009095 0.41276 4.1958
39 1VCO GLN 0.0002695 0.42145 4.54545
40 1MVQ MMA 0.00005339 0.42813 4.66102
41 3UEC ALA ARG TPO LYS 0.01368 0.4297 4.79452
42 2FWP ICR 0.00007348 0.42057 4.91803
43 2GJ3 FAD 0.0005794 0.40045 5
44 2ZO9 MLI 0.00527 0.42039 5.10949
45 3CEV ARG 0.003678 0.43405 5.24476
46 1GPJ CIT 0.00355 0.45175 5.59441
47 2X61 CH 0.00005661 0.40022 5.81395
48 3VGL ANP 0.00003848 0.40919 5.94406
49 1UJ5 5RP 0.003477 0.42552 6.1674
50 1RZM E4P 0.02712 0.41507 6.64336
51 3RKR NAP 0.008927 0.4131 6.87023
52 1T0S BML 0.01384 0.43565 6.97674
53 2TOH HBI 0.001093 0.40916 6.99301
54 1UFY MLI 0.02969 0.40804 7.37705
55 2V5E SCR 0.01417 0.44956 7.5
56 1FS5 TLA 0.0009332 0.40333 7.89474
57 1TRD PGH 0.001786 0.43721 8
58 3QDT A2G GAL 0.0219 0.42547 9.09091
59 2YIV YIV 0.03117 0.41761 9.09091
60 3ZZS TRP 0.00003815 0.41732 9.23077
61 1WRA PC 0.0176 0.42433 9.79021
62 1ZGA SAH 0.008965 0.40495 9.79021
63 3RK0 AMP 0.01131 0.40478 10.5485
64 1Y0L HAN 0.04632 0.42091 11.0619
65 4E13 NAD 0.002515 0.40725 11.6608
66 3I6B KDO 0.02054 0.40619 12.2222
67 4NPT 017 0.01312 0.40612 16.1616
68 4NAO AKG 0.03515 0.40949 16.7832
69 1H16 PYR 0.042 0.41093 19.2308
Pocket No.: 6; Query (leader) PDB : 1R0X; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1r0x.bio6) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1R0X; Ligand: ATP; Similar sites found: 20
This union binding pocket(no: 7) in the query (biounit: 1r0x.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4B5P ACO 0.0132 0.42582 2
2 4HEQ FMN 0.02144 0.40397 3.42466
3 2YNC YNC 0.04332 0.40734 3.4965
4 2FJU GSP 0.0002185 0.40515 3.84615
5 3TKY SAH 0.01905 0.40834 4.1958
6 4NZ6 DGL 0.01388 0.40147 4.8951
7 4BVA NDP 0.04112 0.40439 5.24476
8 5L3S GNP 0.00006992 0.40127 5.24476
9 1JBW ACQ 0.04278 0.40346 5.59441
10 3VX3 ADP 0.0005072 0.40215 5.64516
11 1WQ1 GDP 0.0001082 0.4004 5.94406
12 1YVD GNP 0.00005804 0.40029 6.50888
13 4IDN GNP 0.000171 0.40217 6.64336
14 2ZPA ACO 0.02052 0.40993 7.69231
15 1TU3 GNP 0.00003058 0.40164 8.86076
16 1G7C 5GP 0.005715 0.4014 11.5385
17 1EK0 GNP 0.00003664 0.40028 14.7059
18 4V0K GDP 0.0004577 0.40696 15.9763
19 1G16 GDP 0.0001853 0.40363 17.0588
20 3MJH GTP 0.00003157 0.40195 23.5294
Pocket No.: 8; Query (leader) PDB : 1R0X; Ligand: ATP; Similar sites found: 12
This union binding pocket(no: 8) in the query (biounit: 1r0x.bio4) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1K6M AGS 0.0004955 0.40326 2.0979
2 2Q8M AMP 0.005581 0.40522 2.44755
3 2WKQ GTP 0.0002506 0.40554 2.7972
4 1GP2 GDP 0.0003519 0.40212 3.4965
5 1Z0J GTP 0.00009642 0.40504 6.47059
6 1Z2A GDP 0.0003582 0.40167 6.54762
7 5UQW GDP 0.0002213 0.40161 8.46561
8 3QBT GNP 0.0001208 0.40401 8.57143
9 1ZC3 GNP 0.00006819 0.4098 10.8571
10 1VG8 GNP 0.000108 0.40239 12.5604
11 2XTZ GSP 0.0001105 0.40009 12.5874
12 2D7C GTP 0.0001623 0.40068 22.1557
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