Receptor
PDB id Resolution Class Description Source Keywords
1Q3H 2.5 Å NON-ENZYME: OTHER MOUSE CFTR NBD1 WITH AMP.PNP MUS MUSCULUS ABC TRANSPORTER NUCLEOTIDE BINDING DOMAIN MEMBRANE 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:301;
B:302;
C:303;
D:304;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
60.052 C2 H4 O2 CC(=O...
ANP A:201;
B:202;
C:203;
D:204;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
MG A:674;
B:674;
C:674;
D:674;
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: ANP; Similar ligands found: 358
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 ADP 0.802632 0.972222
5 AP5 0.802632 0.945205
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 ATP 0.772152 0.972222
9 AN2 0.769231 0.986111
10 AQP 0.7625 0.972222
11 5FA 0.7625 0.972222
12 M33 0.759494 0.932432
13 MAP 0.752941 0.972973
14 ACP 0.75 0.945946
15 APR 0.740741 0.945205
16 AR6 0.740741 0.945205
17 ACQ 0.73494 0.945946
18 AD9 0.731707 0.945946
19 SAP 0.731707 0.921053
20 AGS 0.731707 0.921053
21 AMP 0.723684 0.944444
22 A 0.723684 0.944444
23 ATF 0.717647 0.933333
24 ADX 0.716049 0.851852
25 CA0 0.716049 0.92
26 50T 0.707317 0.932432
27 PRX 0.698795 0.87013
28 ABM 0.696203 0.893333
29 AMP MG 0.683544 0.868421
30 AP2 0.679012 0.933333
31 A12 0.679012 0.933333
32 APC 0.678571 0.933333
33 TAT 0.674419 0.933333
34 A22 0.674157 0.958904
35 SRA 0.670886 0.894737
36 SRP 0.670455 0.883117
37 5AL 0.666667 0.906667
38 ADQ 0.659341 0.92
39 A1R 0.659341 0.884615
40 ADP MG 0.654762 0.881579
41 3OD 0.648936 0.92
42 BIS 0.648936 0.909091
43 5SV 0.648352 0.82716
44 BEF ADP 0.647059 0.858974
45 ADP BEF 0.647059 0.858974
46 OAD 0.645161 0.92
47 25L 0.642105 0.958904
48 AMO 0.641304 0.907895
49 G5P 0.636364 0.897436
50 DLL 0.634409 0.906667
51 AHX 0.634409 0.897436
52 00A 0.634409 0.860759
53 ANP MG 0.633333 0.921053
54 ADV 0.632184 0.907895
55 ADP PO3 0.632184 0.917808
56 RBY 0.632184 0.907895
57 NB8 0.631579 0.897436
58 25A 0.630435 0.945205
59 8QN 0.630435 0.906667
60 OOB 0.630435 0.906667
61 G3A 0.626263 0.897436
62 ATP MG 0.625 0.881579
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 1ZZ 0.614583 0.819277
67 TXA 0.614583 0.907895
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 3UK 0.610526 0.894737
71 SON 0.604651 0.907895
72 ADP ALF 0.604396 0.848101
73 ALF ADP 0.604396 0.848101
74 WAQ 0.604167 0.860759
75 PR8 0.604167 0.829268
76 4UV 0.6 0.871795
77 GAP 0.6 0.87013
78 FYA 0.597938 0.881579
79 PTJ 0.597938 0.873418
80 ADP VO4 0.597826 0.906667
81 VO4 ADP 0.597826 0.906667
82 UP5 0.596154 0.896104
83 YAP 0.59596 0.871795
84 FA5 0.59596 0.883117
85 PAP 0.595506 0.958333
86 A4P 0.59434 0.823529
87 XAH 0.59 0.841463
88 4UU 0.588235 0.871795
89 AFH 0.588235 0.8625
90 9SN 0.585859 0.85
91 2A5 0.58427 0.894737
92 T5A 0.583333 0.821429
93 NAI 0.580952 0.884615
94 ITT 0.579545 0.917808
95 ATR 0.577778 0.944444
96 OMR 0.575472 0.831325
97 5AS 0.574713 0.781609
98 YLP 0.571429 0.8
99 48N 0.571429 0.873418
100 AP0 0.570093 0.873418
101 4TC 0.570093 0.873418
102 7D3 0.569767 0.881579
103 ADJ 0.568807 0.831325
104 GNP 0.568421 0.922078
105 DAL AMP 0.568421 0.881579
106 NXX 0.566038 0.907895
107 TXD 0.566038 0.884615
108 NAX 0.566038 0.851852
109 4UW 0.566038 0.839506
110 6V0 0.566038 0.873418
111 DND 0.566038 0.907895
112 XYA 0.565789 0.821918
113 ADN 0.565789 0.821918
114 RAB 0.565789 0.821918
115 AOC 0.564706 0.8
116 7D4 0.561798 0.881579
117 ADP BMA 0.561224 0.894737
118 TXE 0.560748 0.884615
119 TYM 0.560748 0.883117
120 YLB 0.555556 0.8
121 YLC 0.555556 0.819277
122 139 0.554545 0.851852
123 5N5 0.551282 0.797297
124 JB6 0.55 0.860759
125 LAQ 0.54717 0.819277
126 MYR AMP 0.544554 0.797619
127 A4D 0.544304 0.797297
128 5CD 0.544304 0.783784
129 7MD 0.542857 0.864198
130 6AD 0.542553 0.886076
131 A2R 0.541667 0.958904
132 UPA 0.541284 0.884615
133 YLA 0.540541 0.8
134 A A 0.54 0.918919
135 COD 0.539823 0.793103
136 BTX 0.539823 0.821429
137 G5A 0.537634 0.781609
138 CNA 0.535714 0.907895
139 AYB 0.535714 0.790698
140 3DH 0.535714 0.753247
141 BT5 0.535088 0.811765
142 ATP A A A 0.533981 0.905405
143 IOT 0.531532 0.811765
144 MTA 0.53012 0.753247
145 3AM 0.529412 0.90411
146 A3P 0.52809 0.944444
147 NAD 0.526316 0.906667
148 PPS 0.526316 0.851852
149 EP4 0.52439 0.734177
150 7D5 0.52381 0.855263
151 AMP DBH 0.52381 0.87013
152 J7C 0.522727 0.75
153 A5A 0.520833 0.809524
154 EAD 0.520661 0.851852
155 TSB 0.520408 0.821429
156 AHZ 0.518519 0.797619
157 M2T 0.518072 0.716049
158 DTA 0.518072 0.766234
159 A3D 0.517241 0.894737
160 6RE 0.517241 0.740741
161 YLY 0.516949 0.790698
162 SSA 0.515464 0.802326
163 NA7 0.514852 0.933333
164 TYR AMP 0.514286 0.858974
165 AR6 AR6 0.514019 0.893333
166 7MC 0.513514 0.843373
167 A2P 0.511111 0.930556
168 52H 0.510204 0.781609
169 VMS 0.510204 0.790698
170 54H 0.510204 0.790698
171 TAD 0.509259 0.8625
172 NAQ 0.508333 0.85
173 A3N 0.505618 0.766234
174 AV2 0.505155 0.893333
175 5CA 0.50505 0.802326
176 53H 0.50505 0.781609
177 ARU 0.504951 0.839506
178 ARG AMP 0.504587 0.809524
179 ZID 0.504132 0.894737
180 P1H 0.504 0.831325
181 3AT 0.5 0.945205
182 NAE 0.5 0.871795
183 AVV 0.5 0.873418
184 P5A 0.495146 0.747253
185 DSZ 0.49505 0.802326
186 LSS 0.49505 0.764045
187 NSS 0.49505 0.802326
188 N0B 0.491803 0.8
189 AF3 ADP 3PG 0.491071 0.817073
190 LA8 ALF 3PG 0.491071 0.817073
191 ALF ADP 3PG 0.491071 0.817073
192 NVA LMS 0.490196 0.764045
193 DAT 0.489362 0.881579
194 IMO 0.488889 0.90411
195 ZAS 0.488636 0.792208
196 FDA 0.488372 0.813953
197 NAJ PZO 0.487395 0.85
198 4TA 0.487179 0.788235
199 LPA AMP 0.486486 0.797619
200 LEU LMS 0.485437 0.764045
201 DTP 0.484536 0.881579
202 V3L 0.484536 0.945205
203 GJV 0.483516 0.731707
204 S4M 0.483516 0.651685
205 DZD 0.483051 0.8625
206 2AM 0.482759 0.917808
207 5AD 0.481013 0.726027
208 KAA 0.480769 0.755556
209 GSU 0.480769 0.781609
210 NDE 0.480315 0.907895
211 M24 0.479339 0.851852
212 MAO 0.478261 0.761905
213 DSH 0.477778 0.707317
214 NEC 0.477778 0.727273
215 FAD 0.477273 0.831325
216 FAS 0.477273 0.831325
217 RGT 0.476636 0.933333
218 0WD 0.474576 0.897436
219 G A A A 0.474576 0.85
220 FNK 0.474074 0.786517
221 5X8 0.473684 0.74359
222 6FA 0.473282 0.821429
223 FB0 0.472868 0.786517
224 NDC 0.472868 0.85
225 YSA 0.472222 0.781609
226 7DD 0.468085 0.958333
227 OVE 0.466667 0.881579
228 NAD IBO 0.466102 0.848101
229 MHZ 0.463158 0.701149
230 A3G 0.461538 0.779221
231 6C6 0.459184 0.858974
232 U A G G 0.458333 0.860759
233 SFG 0.458333 0.730769
234 7D7 0.45679 0.723684
235 128 0.45614 0.8
236 SFD 0.455224 0.736842
237 DDS 0.454545 0.855263
238 GDP 0.454545 0.896104
239 6IA 0.454545 0.817073
240 NJP 0.453782 0.921053
241 ODP 0.453782 0.886076
242 7DT 0.453608 0.958333
243 A7D 0.452632 0.75641
244 Z5A 0.452381 0.802326
245 WSA 0.452174 0.790698
246 7C5 0.45045 0.797468
247 FAY 0.449275 0.841463
248 NDP 0.449153 0.897436
249 A5D 0.44898 0.766234
250 SA8 0.44898 0.690476
251 NAJ PYZ 0.448 0.851852
252 71V 0.446809 0.884615
253 GGZ 0.446602 0.804878
254 RFL 0.446043 0.802326
255 2SA 0.445545 0.907895
256 AMP NAD 0.444444 0.858974
257 GP3 0.444444 0.897436
258 SAI 0.444444 0.716049
259 SAH 0.444444 0.725
260 A A A 0.443396 0.881579
261 PO4 PO4 A A A A PO4 0.443396 0.878378
262 4YB 0.442478 0.764045
263 GTP 0.441176 0.896104
264 SMM 0.441176 0.670455
265 S7M 0.441176 0.674419
266 Y3J 0.440476 0.706667
267 SAM 0.44 0.674419
268 649 0.439655 0.747253
269 12D 0.438596 0.809524
270 A3S 0.4375 0.789474
271 NPW 0.436975 0.864198
272 GCP 0.436893 0.873418
273 AAT 0.435644 0.690476
274 EEM 0.435644 0.674419
275 GNH 0.435644 0.909091
276 DCA 0.435484 0.804598
277 ETB 0.435484 0.813953
278 N6P 0.433962 0.890411
279 TXP 0.433333 0.897436
280 NZQ 0.433333 0.886076
281 PGS 0.43299 0.860759
282 APU 0.432203 0.871795
283 PUA 0.432 0.8625
284 62F 0.431655 0.841463
285 F2N 0.431507 0.795455
286 DA 0.430108 0.855263
287 D5M 0.430108 0.855263
288 J7V 0.429688 0.813953
289 NIA 0.428571 0.848101
290 6K6 0.428571 0.905405
291 A3T 0.428571 0.8
292 0T1 0.428571 0.804598
293 COA 0.428571 0.804598
294 P5F 0.427586 0.804598
295 AAM 0.425532 0.944444
296 0UM 0.424528 0.682353
297 G1R 0.423077 0.884615
298 AMZ 0.422222 0.891892
299 C2R 0.422222 0.88
300 A U 0.420168 0.848101
301 IDP 0.42 0.894737
302 GSP 0.419048 0.851852
303 COS 0.418605 0.786517
304 CAO 0.418605 0.777778
305 AMX 0.418605 0.813953
306 30N 0.418605 0.736842
307 DG1 0.418605 0.897436
308 1DG 0.418605 0.897436
309 TM1 0.418182 0.797619
310 A6D 0.416667 0.746988
311 K15 0.416667 0.666667
312 V1N 0.415929 0.893333
313 SCO 0.415385 0.804598
314 CMX 0.415385 0.804598
315 GEK 0.415094 0.719512
316 NHD 0.414634 0.881579
317 XNP 0.414634 0.851852
318 AIR 0.413793 0.876712
319 COK 0.413534 0.786517
320 G2R 0.412844 0.8625
321 FCX 0.412214 0.777778
322 FAM 0.412214 0.786517
323 ACO 0.412214 0.777778
324 NAP 0.410853 0.92
325 CNV FAD 0.409722 0.775281
326 FA9 0.409396 0.843373
327 SXZ 0.409091 0.694118
328 HAX 0.409091 0.806818
329 PLP AAD 0.408 0.744444
330 TAP 0.407692 0.884615
331 2MC 0.407407 0.752688
332 62X 0.407407 0.651685
333 GKE 0.40708 0.8625
334 GDD 0.40708 0.8625
335 GDC 0.40708 0.8625
336 FYN 0.406015 0.804598
337 3KK 0.406015 0.786517
338 U G A 0.405797 0.819277
339 NA0 0.40458 0.907895
340 101 0.404255 0.855263
341 G 0.40404 0.883117
342 5GP 0.40404 0.883117
343 MGP 0.403846 0.8625
344 MCD 0.402985 0.786517
345 OXK 0.402985 0.786517
346 CA6 0.402985 0.714286
347 SOP 0.402985 0.786517
348 3AD 0.402299 0.783784
349 S8M 0.401869 0.78481
350 YE1 0.40146 0.795455
351 1VU 0.4 0.777778
352 2VA 0.4 0.779221
353 CMC 0.4 0.786517
354 7RP 0.4 0.902778
355 GMV 0.4 0.873418
356 6G0 0.4 0.8625
357 CO6 0.4 0.786517
358 NMX 0.4 0.782609
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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