Receptor
PDB id Resolution Class Description Source Keywords
3QKT 1.9 Å EC: 3.6.-.- RAD50 ABC-ATPASE WITH ADJACENT COILED-COIL REGION IN COMPLEX PNP PYROCOCCUS FURIOSUS RECA-LIKE FOLD COILED-COILS ATPASE ATP BINDING DNA BINDIMRE11 REPLICATION
Ref.: ABC ATPASE SIGNATURE HELICES IN RAD50 LINK NUCLEOTI TO MRE11 INTERFACE FOR DNA REPAIR. NAT.STRUCT.MOL.BIOL. V. 18 423 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:901;
B:901;
C:901;
D:901;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
MG A:902;
B:902;
C:902;
D:902;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QKT 1.9 Å EC: 3.6.-.- RAD50 ABC-ATPASE WITH ADJACENT COILED-COIL REGION IN COMPLEX PNP PYROCOCCUS FURIOSUS RECA-LIKE FOLD COILED-COILS ATPASE ATP BINDING DNA BINDIMRE11 REPLICATION
Ref.: ABC ATPASE SIGNATURE HELICES IN RAD50 LINK NUCLEOTI TO MRE11 INTERFACE FOR DNA REPAIR. NAT.STRUCT.MOL.BIOL. V. 18 423 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4NCJ - ADP BEF n/a n/a
2 3QKT - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4NCJ - ADP BEF n/a n/a
2 3QKT - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4NCJ - ADP BEF n/a n/a
2 3QKT - ANP C10 H17 N6 O12 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 : 3QKT; Ligand: ANP; Similar sites found: 468
This union binding pocket(no: 1) in the query (biounit: 3qkt.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VHT BA3 0.002231 0.44137 1.37615
2 4ZNL BEF ADP 0.0001938 0.40697 1.45985
3 4PPF FLC 0.0000004032 0.68588 1.76991
4 5HCN GCP 0.0001779 0.49871 1.91571
5 2IL4 COA 0.005917 0.41757 1.94175
6 3R7F CP 0.01889 0.41646 1.97368
7 1XMV ADP 0.00005355 0.42534 2.0649
8 4XG0 CIT 0.02354 0.41268 2.0649
9 3BOS CDP 0.0001702 0.50581 2.06612
10 2DVZ GLU 0.02034 0.40343 2.2293
11 4R43 GDP 0.002904 0.44519 2.35988
12 5I0H ADP BEF 0.0003828 0.42907 2.35988
13 1IHU AF3 0.002763 0.41777 2.35988
14 1IHU ADP 0.003074 0.41251 2.35988
15 1TAD GDP 0.004071 0.41055 2.46914
16 1TAD ALF 0.004071 0.41055 2.46914
17 4BAS GNP 0.0005612 0.42836 2.51256
18 2F5X ASP 0.003729 0.44998 2.5641
19 4IEE AGS 0.0003198 0.49857 2.65487
20 2C9O ADP 0.001108 0.43834 2.65487
21 4ZKD GDP 0.001099 0.43092 2.65487
22 3Q9L ATP 0.005206 0.41637 2.69231
23 2WKQ GTP 0.0009258 0.43408 2.71084
24 3FWY ADP 0.001035 0.406 2.86624
25 4WEI GLC GAL 0.002879 0.46729 2.88809
26 1JJV ATP 0.0001276 0.53093 2.91262
27 2G2Y MLI 0.02488 0.41446 2.92208
28 2X7I CIT 0.01458 0.4106 2.92208
29 5FTB ANP 0.00008285 0.50847 2.94985
30 5FHD ADP ALF 0.00003414 0.50337 2.94985
31 3U6B GDP 0.0002577 0.5033 2.94985
32 4G5G GDP 0.0004512 0.48498 2.94985
33 3U6K GDP 0.0007661 0.47367 2.94985
34 3DZD ADP 0.001522 0.44465 2.94985
35 2BVN GNP 0.001757 0.44179 2.94985
36 2OBM ADP 0.007763 0.4376 2.94985
37 4ZG4 VO4 ADP 0.0007587 0.42893 2.94985
38 2BEK ATP 0.00171 0.42657 2.94985
39 2Q2Y MKR 0.004995 0.41793 2.94985
40 2Q2Y ADP 0.005287 0.41793 2.94985
41 3VMF GTP 0.00289 0.4121 2.94985
42 1ZCB GDP 0.003855 0.40699 2.94985
43 2ZPA ADP 0.00136 0.40317 2.94985
44 5K5Z ANP 0.002348 0.4141 3.18471
45 3FIU POP 0.0161 0.41711 3.21285
46 3VX3 ADP 0.003787 0.41889 3.22581
47 3FB4 AP5 0.009779 0.40637 3.24074
48 5XDR ADP 0.00008664 0.51371 3.24484
49 1G41 ADP 0.0003822 0.47733 3.24484
50 1G7S GDP 0.0005736 0.4743 3.24484
51 5VGR GDP 0.000883 0.45099 3.24484
52 3EZ2 ADP 0.004197 0.44215 3.24484
53 5LTJ ADP 0.00002071 0.43756 3.24484
54 2XAU ADP 0.00006776 0.4305 3.24484
55 1SVK ALF GDP 0.00258 0.42021 3.24484
56 1NY5 ADP 0.001241 0.40397 3.24484
57 4TTQ ATP 0.000749 0.47415 3.25581
58 4LC1 GDP 0.0002116 0.50116 3.2641
59 2Y8E GNP 0.000607 0.43122 3.35196
60 2B8W ALF 5GP 0.002394 0.41376 3.35366
61 3E70 GDP 0.0001914 0.40937 3.35366
62 4QOS ADP 0.0003898 0.47693 3.39623
63 2FFQ GSP 0.0006365 0.44065 3.50877
64 2XT3 ADP 0.000001956 0.63715 3.53982
65 3MD0 GDP 0.00008918 0.52654 3.53982
66 2ZFI ADP 0.000102 0.51674 3.53982
67 1TQ4 GDP 0.0002979 0.4629 3.53982
68 2CE7 ADP 0.0001149 0.42356 3.53982
69 4IDN GNP 0.00213 0.42254 3.53982
70 2C78 GNP 0.002194 0.422 3.53982
71 4FRZ ADP 0.000005627 0.4132 3.53982
72 1F9V ADP 0.000005684 0.41317 3.53982
73 2C77 GNP 0.001561 0.40641 3.53982
74 4KAX GTP 0.0005548 0.42837 3.5503
75 3MJH GTP 0.001036 0.42209 3.57143
76 1U8Z GDP 0.003627 0.40954 3.57143
77 1G6O ADP 0.0002056 0.48996 3.63636
78 5L3V GDP 0.0002329 0.41174 3.67893
79 5L3S GNP 0.003463 0.40725 3.71622
80 1US5 GLU 0.01804 0.40222 3.82166
81 4AG5 ADP 0.00002873 0.56605 3.83481
82 2OG2 MLI 0.00002914 0.53576 3.83481
83 1KK1 GNP 0.0003216 0.49845 3.83481
84 2IS6 ADP 0.0005359 0.48131 3.83481
85 1D2E GDP 0.001313 0.4476 3.83481
86 4NCN GTP 0.001912 0.42106 3.83481
87 1GP2 GDP 0.00302 0.41284 3.83481
88 4TMZ GSP 0.003274 0.41139 3.83481
89 2QEN ADP 0.0007373 0.40654 3.83481
90 1G8S MET 0.006147 0.44435 3.91304
91 2HF9 GSP 0.002044 0.43462 3.9823
92 3ZQ6 ADP ALF 0.001285 0.42814 4.01235
93 3DKP ADP 0.001452 0.46001 4.08163
94 5H56 ADP 0.002793 0.41877 4.10256
95 5H56 TYD 0.002793 0.41877 4.10256
96 2WIC GNP 0.0003368 0.4854 4.11985
97 1V8K ANP 0.000008329 0.57025 4.12979
98 4HSE ADP 0.0001597 0.50096 4.12979
99 3WY9 GDP 0.0002973 0.50017 4.12979
100 3WYA GDP 0.0003936 0.4879 4.12979
101 5GOE GDP 0.0002921 0.4828 4.12979
102 1WDT GTP 0.000182 0.47682 4.12979
103 3FKQ ATP 0.003103 0.42648 4.12979
104 4PFO ADP 0.001888 0.41965 4.12979
105 1FP6 ADP 0.0009468 0.45411 4.15225
106 1YRB GDP 0.0002206 0.48313 4.19847
107 2QZ4 ADP 0.0003741 0.47776 4.19847
108 1O3Y GTP 0.0008963 0.43466 4.21687
109 1Y3A GDP 0.003477 0.4103 4.25532
110 1RE0 GDP 0.00007429 0.40361 4.26829
111 3BD9 A3P 0.01904 0.40108 4.28571
112 3B9Q MLI 0.0002208 0.50452 4.30464
113 3AQ4 GDP 0.0001969 0.49659 4.34783
114 4WZA ACP 0.009817 0.42119 4.34783
115 4WZA ADP 0.01004 0.42075 4.34783
116 4M6T SAM 0.01225 0.43518 4.37158
117 2NCD ADP 0.00000456 0.60893 4.42478
118 2WHX ADP 0.00002464 0.56903 4.42478
119 4LYA ATP 0.0003104 0.4871 4.42478
120 5MZN ADP 0.005036 0.44321 4.42478
121 4A4Z ANP 0.004184 0.43737 4.42478
122 3ZFD ANP 0.00003992 0.43678 4.42478
123 2JLR ANP 0.0002379 0.41906 4.42478
124 3BFV ADP 0.000546 0.48091 4.42804
125 3H4S ADP 0.000002809 0.41086 4.44444
126 2W58 ADP 0.000006216 0.61305 4.45545
127 1F6B GDP 0.0001919 0.49713 4.54545
128 3CYI ATP 0.02858 0.40575 4.54545
129 2A5F GTP 0.0008697 0.4316 4.57143
130 5J1S ATP 0.001815 0.41864 4.57746
131 1NRJ GTP 0.0003457 0.43035 4.58716
132 1KSH GDP 0.0008785 0.41548 4.60526
133 1G3Q ADP 0.001553 0.45353 4.64135
134 3RK1 ATP 0.01188 0.40721 4.64135
135 1WF3 GNP 0.001715 0.42299 4.65116
136 1I4D GDP 0.0002203 0.50673 4.6875
137 1E96 GTP 0.001551 0.41512 4.6875
138 2VB6 ADP BEF 0.0007168 0.42975 4.69799
139 2C04 GCP 0.001344 0.4428 4.7138
140 1SKQ GDP 0.0002841 0.50116 4.71976
141 4P4T GDP 0.0003737 0.4631 4.71976
142 1W5T ANP 0.0003664 0.45903 4.71976
143 1W5T ADP 0.001266 0.44396 4.71976
144 4H1V GNP 0.001712 0.43808 4.71976
145 5IRN ADP 0.0001287 0.42587 4.71976
146 4PJ3 ANP 0.005213 0.4201 4.71976
147 3WXM GTP 0.002495 0.4147 4.71976
148 4MKG AP5 0.009318 0.40728 4.71976
149 2X77 GDP 0.0003567 0.4842 4.7619
150 5IRR GSP 0.001135 0.43408 4.87013
151 5J1J ANP 0.003886 0.4012 4.91228
152 3N5C GDP 0.0001876 0.50373 4.93827
153 1XP8 AGS 0.00007429 0.53054 5.01475
154 2ZR9 DTP 0.00007355 0.52373 5.01475
155 1Z6T ADP 0.0004715 0.46321 5.01475
156 1DNP MHF 0.02227 0.411 5.01475
157 4OHY ANP 0.005174 0.40016 5.01475
158 5IFS ADP 0.0002774 0.41237 5.06329
159 2ZTS ADP 0.0002964 0.46752 5.17928
160 4YLG GDP 0.0005523 0.41021 5.20231
161 2A5J GDP 0.0003618 0.47844 5.2356
162 5UQW GDP 0.0009606 0.42985 5.29101
163 4XGU ADP 0.003302 0.42527 5.30973
164 1T5C ADP 0.000001685 0.40327 5.30973
165 5G41 AP5 0.01465 0.40337 5.38117
166 5TAR GDP 0.000977 0.45349 5.40541
167 5TB5 GDP 0.0009243 0.40425 5.40541
168 1JI0 ATP 0.0000001278 0.68114 5.41667
169 1Z0F GDP 0.0002725 0.48981 5.58659
170 3FYH ADP 0.002025 0.41671 5.59006
171 1XNG ATP 0.007548 0.4057 5.59701
172 4LJ9 ACP 0.00274 0.44643 5.60472
173 5N69 ADP 0.0002349 0.41814 5.60472
174 1Q8A HCS 0.02492 0.40933 5.60472
175 2FH5 GTP 0.0009927 0.4404 5.60748
176 3TKL GTP 0.0009319 0.43039 5.61225
177 3E5H GNP 0.001971 0.41888 5.61798
178 1S8F GDP 0.0002833 0.48343 5.64972
179 3REF GDP 0.001776 0.42588 5.6701
180 4YDS ATP 0.000003791 0.60493 5.70175
181 4D0G GTP 0.0008341 0.4223 5.71429
182 3DEF GDP 0.0005236 0.46592 5.72519
183 1Z0A GDP 0.0003231 0.40586 5.74713
184 5KSP GDP 0.001739 0.45116 5.78947
185 5BQ5 ADP BEF 0.0003128 0.48141 5.82011
186 1Z06 GNP 0.002144 0.4157 5.82011
187 5KUT GDP 0.0001785 0.40051 5.82011
188 4K81 GTP 0.001383 0.42843 5.84795
189 5WDR GNP 0.001672 0.42344 5.84795
190 3GJ0 GDP 0.00007717 0.5227 5.88235
191 3GJ4 GDP 0.00008388 0.52092 5.88235
192 3GJ7 GDP 0.00008559 0.52049 5.88235
193 3GJ5 GDP 0.0001143 0.50793 5.88235
194 3GJ8 GDP 0.0001225 0.50648 5.88235
195 3GJ3 GDP 0.00006619 0.41208 5.88235
196 1XKV ATP 0.0001012 0.42435 5.8997
197 2CBZ ATP 0.00000008448 0.71112 5.90717
198 2BME GNP 0.0008226 0.43437 5.91398
199 3RAB GNP 0.001247 0.42699 5.91716
200 5O2T GSP 0.001035 0.41585 5.91716
201 3WYF GTP 0.000347 0.45318 5.93607
202 3M1I GTP 0.0003335 0.45216 5.93607
203 1YZN GNP 0.0006713 0.42312 5.94595
204 2IMG MLT 0.01573 0.41853 5.96026
205 1M7B GTP 0.0006552 0.44817 5.97826
206 3CH5 GDP 0.0001256 0.50597 6.01852
207 5BXQ GDP 0.0001121 0.41323 6.01852
208 1WQ1 AF3 0.002835 0.46479 6.0241
209 2UZI GTP 0.000816 0.43451 6.0241
210 3KUD GDP 0.001726 0.43006 6.0241
211 1NVU GTP 0.001628 0.42392 6.0241
212 1WQ1 GDP 0.002479 0.41639 6.0241
213 1CLU DBG 0.009392 0.4091 6.0241
214 1NVV GNP 0.002186 0.40378 6.0241
215 2F9L GDP 0.0009806 0.43305 6.03015
216 4Q1A UDP 0.04498 0.41897 6.07143
217 4Q1A 2XZ 0.04498 0.41897 6.07143
218 3SFV GDP 0.0006712 0.42053 6.07735
219 1MR3 G3D 0.0001355 0.41053 6.07735
220 1FQK GDP 0.002675 0.41502 6.12245
221 1FQJ GDP 0.003764 0.40888 6.12245
222 1SQ5 ADP 0.0004441 0.47963 6.16883
223 4DCT GDP 0.00119 0.45907 6.19469
224 1IBR GNP 0.0004071 0.43122 6.19469
225 1W0J ADP BEF 0.0003273 0.42766 6.25
226 1OIX GDP 0.0007518 0.43596 6.28272
227 1OIV GDP 0.003704 0.4077 6.28272
228 3NKV GNP 0.0008366 0.42574 6.28571
229 1IN4 ADP 0.0006812 0.45164 6.28743
230 1M2O GNP 0.001865 0.41987 6.31579
231 3TNF GNP 0.0008591 0.43696 6.32184
232 4LHW GNP 0.0006656 0.42962 6.32184
233 3QBT GNP 0.001092 0.4211 6.32184
234 1Z0K GTP 0.0009698 0.43325 6.39535
235 2XTN GTP 0.001011 0.43249 6.41026
236 1ZJ6 G3D 0.0004065 0.48148 6.41711
237 4QM7 GTP 0.00005977 0.41641 6.43275
238 5XCO GDP 0.0003513 0.41249 6.43275
239 1G16 GDP 0.0004802 0.43152 6.47059
240 3RWO GDP 0.001669 0.42183 6.48649
241 5JCP GDP ALF 0.001417 0.44177 6.48968
242 1D8C SOR 0.03313 0.41646 6.48968
243 2RCN GDP 0.0001215 0.40705 6.48968
244 1K6M AGS 0.004287 0.40653 6.48968
245 1KY3 GDP 0.0001878 0.42179 6.59341
246 1G6H ADP 0.0000001118 0.7132 6.61479
247 2EFE GNH 0.0002465 0.48092 6.62983
248 5L3R GCP 0.003096 0.40922 6.64452
249 3PQC GDP 0.00165 0.44752 6.66667
250 5JCZ GDP 0.0004125 0.46121 6.70391
251 5KDO GDP 0.001425 0.43364 6.75676
252 4LX0 BEF GDP 0.0006833 0.43938 6.77966
253 1FZQ GDP 0.0002309 0.49929 6.78466
254 3GJX GTP 0.0004384 0.44729 6.78466
255 1QHG ATP 0.004514 0.42298 6.78466
256 2GDJ ANP 0.00003113 0.54209 6.81818
257 1ZD9 GDP 0.0005841 0.45458 6.91489
258 4OI4 ATP 0.001456 0.42595 6.95652
259 2EW1 GNP 0.001008 0.42398 6.96517
260 5UWS GNP 0.0003072 0.45536 6.99301
261 5UWI GNP 0.0002981 0.45416 6.99301
262 5UWR GNP 0.0003006 0.45401 6.99301
263 5DI9 GNP 0.0003333 0.4539 6.99301
264 5UWT GNP 0.0003041 0.4538 6.99301
265 5UWP GNP 0.0003353 0.4538 6.99301
266 5UWU GNP 0.0003082 0.45356 6.99301
267 5DHF GNP 0.0003229 0.45273 6.99301
268 5DIF GNP 0.0002919 0.43656 6.99301
269 5UWW GNP 0.0002983 0.43622 6.99301
270 5UWO GNP 0.0002988 0.43621 6.99301
271 5UWJ GNP 0.0002992 0.43619 6.99301
272 5UWQ GNP 0.0003119 0.43552 6.99301
273 5UWH GNP 0.0003131 0.43547 6.99301
274 3UIE ANP 0.0001482 0.49662 7
275 2IYL GDP 0.0005921 0.47918 7.04225
276 1Z08 GNP 0.003507 0.41015 7.05882
277 1FNN ADP 0.0001824 0.47678 7.07965
278 3Q85 GNP 0.0001021 0.40787 7.10059
279 4HAT GNP 0.0003334 0.4539 7.14286
280 3EWA ANP 0.000008986 0.44406 7.14286
281 4B47 GDP 0.0002871 0.50093 7.16253
282 2D7C GTP 0.001061 0.42987 7.18563
283 2QTV GNP 0.001196 0.42598 7.18563
284 3BER AMP 0.01553 0.40924 7.22892
285 1X1R GDP 0.001194 0.41359 7.30337
286 4GOX A3P 0.00536 0.40252 7.34824
287 4MKF AP5 0.01057 0.40589 7.37327
288 1GOJ ADP 0.0000009243 0.66407 7.37463
289 3DC4 ADP 0.00001554 0.57323 7.37463
290 3RC3 ANP 0.001073 0.47205 7.37463
291 5SXS NIZ 0.006962 0.42925 7.37463
292 1WA5 GTP 0.0005757 0.40304 7.38636
293 1KO8 6PG 0.001085 0.40819 7.42857
294 1HTW ADP 0.00007574 0.41812 7.59494
295 2DPY ADP 0.0008864 0.48231 7.66962
296 4RD0 GDP 0.001215 0.41549 7.66962
297 4V0K GDP 0.00402 0.40462 7.69231
298 1KAO GDP 0.0009052 0.40284 7.78443
299 1GWN GTP 0.0005755 0.42202 7.80488
300 1YZG GDP 0.0002601 0.40077 7.82123
301 4DKX GDP 0.0001375 0.51036 7.87037
302 2FNA ADP 0.0006971 0.44301 7.9646
303 4P32 ADP 0.0000197 0.50831 8.03213
304 1LFD GNP 0.001444 0.4244 8.04598
305 2GJ8 ALF GDP 0.0009516 0.41774 8.13953
306 1GOT GDP 0.002397 0.42038 8.21918
307 2J59 GTP 0.00104 0.43199 8.33333
308 2OM2 GDP 0.002204 0.42549 8.33333
309 4KVG GTP 0.001429 0.42458 8.33333
310 1S9D GDP 0.0001372 0.50413 8.37438
311 3X1Z GNP 0.002339 0.41902 8.38323
312 4HDO GNP 0.001899 0.40593 8.38323
313 1GUA GNP 0.001947 0.4056 8.38323
314 3A1S GDP 0.001631 0.4525 8.52713
315 4CVN ADP 0.0001506 0.52217 8.55457
316 2WOJ ADP ALF 0.001144 0.41518 8.55457
317 3DDC GNP 0.001812 0.40671 8.58896
318 1RRC ADP 0.00000117 0.42222 8.63787
319 5MVR ADP 0.000101 0.40888 8.64198
320 4LPS GDP 0.0003004 0.48778 8.67769
321 3LRE ADP 0.000001429 0.65448 8.84956
322 4J0Q GDP 0.0002449 0.50441 8.84956
323 4YS0 ADP 0.00185 0.43657 8.84956
324 1R6B ADP 0.00007914 0.41892 8.84956
325 1TU3 GNP 0.00106 0.42988 8.86076
326 1YVD GNP 0.000713 0.42847 8.87574
327 1M7G ADP 0.006505 0.4021 9.00474
328 1M7G ADX 0.007604 0.40194 9.00474
329 1M7G AV2 0.00008863 0.40133 9.00474
330 4BQS ADP 0.00009077 0.51923 9.09091
331 4BQS K2Q 0.00565 0.41228 9.09091
332 2BCG GDP 0.0006062 0.45386 9.14454
333 3CPJ GDP 0.0006204 0.40394 9.14454
334 3CNL GNP 0.0004722 0.49003 9.16031
335 4PU6 ASP 0.02438 0.40754 9.16031
336 3A4M ADP 0.00002811 0.5599 9.23077
337 1W7J ADP BEF 0.0001441 0.48631 9.27152
338 5EE5 GTP 0.0003389 0.43653 9.35672
339 1YZQ GNP 0.0006338 0.44072 9.41177
340 1XTQ GDP 0.002018 0.41196 9.60452
341 2QN6 GDP 0.000293 0.50049 9.67742
342 1UAD GNP 0.001111 0.42904 9.71429
343 1ZC3 GNP 0.001457 0.42589 9.71429
344 1OFH ADP 0.0004512 0.4027 9.77011
345 2GCN GDP 0.00251 0.40311 9.95025
346 3COB ADP 0.000003112 0.4118 10.0295
347 4HI0 GDP 0.000791 0.44465 10.0503
348 4U5X GNP 0.001559 0.40055 10.1124
349 1Z2A GDP 0.0009454 0.4337 10.119
350 1YTM ATP 0.0002648 0.4651 10.3245
351 1OXV ANP 0.000004085 0.44608 10.3245
352 3FVQ ATP 0.00000001563 0.64702 10.585
353 3LXR GDP 0.0006699 0.46589 10.8108
354 1CXZ GSP 0.000899 0.42065 10.989
355 3T12 GDP ALF 0.002115 0.42267 11.0294
356 2OFW ADX 0.003432 0.42494 11.0577
357 3PCR GTP 0.001448 0.42604 11.1111
358 1LVG ADP 0.00002937 0.40459 11.1111
359 2G77 GDP 0.002149 0.43364 11.2094
360 2G77 AF3 0.02416 0.41023 11.2094
361 4C4P GNP 0.001375 0.42694 11.215
362 1OW3 GDP 0.001027 0.4029 11.399
363 3NHB ADP 0.000005627 0.6042 11.4379
364 1YQT ADP 0.0000009214 0.64459 11.5044
365 1SQS TLA 0.02424 0.40252 11.5702
366 1G7C 5GP 0.01766 0.40648 11.7021
367 3B7G ANP 0.002359 0.4448 11.7391
368 5HPY GDP 0.0009687 0.40314 11.8919
369 1KMQ GNP 0.00136 0.4187 11.9565
370 2CJW GDP 0.00004206 0.53567 11.9792
371 2I4I AMP 0.005534 0.41518 12.0944
372 4ZI2 GNP 0.001084 0.41725 12.1053
373 4GOJ GNP 0.0008096 0.42196 12.1693
374 1YRO UDP 0.02781 0.40653 12.1951
375 4XOI GTP 0.001786 0.41892 12.2222
376 2AWN ADP 0.0000001751 0.70333 12.3894
377 3RLF ANP 0.00000001041 0.63866 12.3894
378 1JWY ADP 0.0001141 0.50796 12.3894
379 1JWY GDP 0.0002802 0.47837 12.3894
380 2XTZ GSP 0.001778 0.42071 12.3894
381 1TX4 ALF GDP 0.002022 0.42004 12.4294
382 1H65 GDP 0.0005851 0.44622 12.5926
383 2C5L GTP 0.001164 0.41395 12.8205
384 2PEZ GGZ 0.006538 0.40597 12.8492
385 2PEZ DAT 0.006538 0.40597 12.8492
386 2GK6 ADP 0.0106 0.42643 12.9794
387 2ZEJ GDP 0.002435 0.41675 13.0435
388 5UFQ GNP 0.0007692 0.43556 13.1148
389 2HT6 GDP 0.00002675 0.4163 13.2184
390 2VF7 ADP 0.00001636 0.44402 13.2743
391 2WJG GDP 0.0007428 0.47433 13.2979
392 1UPT GTP 0.0003496 0.43598 13.3333
393 2O66 FLC 0.03323 0.40182 13.3333
394 3SBD GNP 0.001298 0.41824 13.369
395 2W2X GSP 0.0008559 0.41655 13.5135
396 1VG8 GNP 0.0003484 0.45138 13.5266
397 1VG0 GDP 0.0002473 0.41772 13.5266
398 1D5C GDP 0.0001406 0.48679 13.5802
399 4E03 ADP 0.00008308 0.42284 13.5922
400 1L2T ATP 0.00000008641 0.59391 13.617
401 1QHH ATP 0.01516 0.40587 13.7725
402 3DOE GTP 0.001801 0.42213 13.9394
403 1MH1 GNP 0.001987 0.42037 13.9785
404 2PL3 ADP 0.0003462 0.49684 13.9831
405 2FJU GSP 0.0007702 0.4176 14.0449
406 1G4U GDP 0.003229 0.42194 14.1304
407 1HE1 GDP 0.001654 0.43086 14.2045
408 1HE1 AF3 0.02206 0.40982 14.2045
409 3W5J GDP 0.00006687 0.5497 14.2157
410 5E95 GDP 0.001048 0.44764 14.433
411 1R0X ATP 0.0000342 0.42363 14.6853
412 5GJC ATP 0.00009671 0.41236 14.7493
413 2IXE ATP 0.0000002274 0.59 14.7601
414 1NJF AGS 0.0004736 0.43255 14.8
415 1NJF ADP 0.0003591 0.42424 14.8
416 3B5J 12D 0.000002388 0.61533 14.8148
417 4WZ6 ATP 0.0000004944 0.65991 14.8276
418 2ODE ALF GDP 0.002054 0.42287 14.8936
419 5SZH GNP 0.000935 0.4338 15.0327
420 1VG1 GDP 0.00008984 0.4168 15.1351
421 1VG9 GDP 0.0002101 0.40565 15.1351
422 2W83 GTP 0.0008255 0.43614 15.5844
423 5DI3 GNP 0.000957 0.4372 15.5894
424 1R4A GNP 0.001159 0.42654 15.6863
425 1OS1 ATP 0.0009809 0.40569 15.9292
426 1OS1 PYR 0.001014 0.40011 15.9292
427 4NON GDP 0.0002746 0.49559 16.1538
428 1B0U ATP 0.00005343 0.51137 16.7939
429 1NF3 GNP 0.001834 0.41218 16.9231
430 4DID GDP 0.0005483 0.47524 17.0984
431 1ZUI SKM 0.006774 0.40892 17.2619
432 1A4R GDP 0.0009889 0.44453 17.2775
433 1A4R GNH 0.001505 0.44059 17.2775
434 2WMO GTP 0.0008407 0.46126 17.3684
435 1GXU 2HP 0.0006951 0.48191 17.5824
436 4U00 ADP 0.0000003503 0.42366 17.623
437 1JJ7 ADP 0.00000009199 0.71329 17.6923
438 2CK3 ANP 0.0003423 0.46477 18
439 2CK3 ADP 0.0003198 0.45317 18
440 4M9Q GNP 0.0007067 0.44276 18.0617
441 4YC7 GNP 0.0007671 0.42278 18.232
442 1B7T ADP 0.000142 0.4975 18.5897
443 4YMU ATP 0.00001087 0.4294 18.75
444 2PZE ATP 0.0000005027 0.43311 18.7773
445 1KK8 BEF ADP 0.0002058 0.47937 18.8312
446 1GRN GDP 0.0008153 0.45254 19.3717
447 4ITR GDP 0.00147 0.40192 19.3717
448 2VVG ADP 0.000001146 0.4062 19.469
449 3WYG GTP 0.0003303 0.42807 19.7368
450 2CHG ANP 0.0005553 0.46003 19.9115
451 3IIJ ADP 0.0001333 0.40467 20
452 5X40 ACP 0.00000002922 0.60433 20.2055
453 1EK0 GNP 0.001158 0.42033 21.1765
454 2HV8 GTP 0.0009532 0.43176 23.4375
455 1Z0J GTP 0.0005195 0.42744 25.4237
456 4HDQ GNP 0.001709 0.42305 26.9231
457 3BC1 GNP 0.0005465 0.43298 27.1795
458 2V7Q ADP 0.0002849 0.4948 28.7879
459 2V7Q ATP 0.0003898 0.47692 28.7879
460 3ZS9 ADP ALF 0.001238 0.41412 28.9474
461 2VOH CIT 0.005034 0.42898 30.7692
462 3KTA AP5 0.000000003175 0.70515 35.8382
463 1XEX ATP 0.0000001811 0.57023 37.7907
464 5H67 ATP 0.000001356 0.48882 43.7186
465 1Y63 ADP 0.00007819 0.52242 45.6522
466 5H68 AGS 0.00000000027 0.6212 46.7647
467 3QF7 ANP 0.000000003689 0.61033 48.2192
468 1J2J GTP 0.001014 0.43245 48.8889
Pocket No.: 2; Query (leader) PDB : 3QKT; Ligand: ANP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3qkt.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3QKT; Ligand: ANP; Similar sites found: 18
This union binding pocket(no: 3) in the query (biounit: 3qkt.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZX2 RAM 0.03347 0.40418 None
2 5TSH ANP 0.0001599 0.40011 2.35988
3 3LN9 FLC 0.01182 0.4074 2.8777
4 1F5N GNP 0.002549 0.40194 3.24484
5 2Y65 ADP 0.000006466 0.4006 3.53982
6 1BG2 ADP 0.00000161 0.40209 4
7 1NN5 ANP 0.008256 0.40044 4.65116
8 4UXU MLK 0.0207 0.4126 5.04587
9 1BO4 COA 0.004114 0.43774 5.95238
10 1UJ2 ADP 0.005398 0.40255 5.95238
11 1UJ2 C5P 0.005569 0.40199 5.95238
12 1FQK ALF 0.03507 0.40159 6.12245
13 1W0J ADP 0.0007457 0.40038 6.25
14 1IK4 PGH 0.01826 0.40196 7.23684
15 2GCO GNP 0.001502 0.40067 9.95025
16 2KIN ADP 0.000001718 0.4016 11
17 2A9K GDP 0.0009837 0.40114 11.6592
18 2NGR GDP 0.0003043 0.40005 19.3717
Pocket No.: 4; Query (leader) PDB : 3QKT; Ligand: ANP; 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: 3qkt.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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