Receptor
PDB id Resolution Class Description Source Keywords
3KN5 2.4 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF THE C-TERMINAL KINASE DOMAIN OF MSK1 IN WITH AMP-PNP HOMO SAPIENS KINASE AMP-PNP MSK1 MSK ATP-BINDING METAL-BINDING NUCLBINDING SERINE/THREONINE-PROTEIN KINASE TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF THE ACTIVE FORM OF THE C-T KINASE DOMAIN OF MITOGEN- AND STRESS-ACTIVATED PROT KINASE 1. J.MOL.BIOL. V. 399 41 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:400;
B:400;
Valid;
Valid;
none;
none;
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506.196 C10 H17 N6 O12 P3 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KN5 2.4 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF THE C-TERMINAL KINASE DOMAIN OF MSK1 IN WITH AMP-PNP HOMO SAPIENS KINASE AMP-PNP MSK1 MSK ATP-BINDING METAL-BINDING NUCLBINDING SERINE/THREONINE-PROTEIN KINASE TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF THE ACTIVE FORM OF THE C-T KINASE DOMAIN OF MITOGEN- AND STRESS-ACTIVATED PROT KINASE 1. J.MOL.BIOL. V. 399 41 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 3KN5 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 3KN5 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 3KN5 - 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 : 3KN5; Ligand: ANP; Similar sites found: 244
This union binding pocket(no: 1) in the query (biounit: 3kn5.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5HP8 PYR 0.008373 0.40992 None
2 1GSA ADP 0.0004223 0.41515 0.949367
3 5I35 ANP 0.0000006786 0.5632 1.84615
4 2VPQ ANP 0.0002189 0.42521 1.84615
5 3K5I ADP 0.002483 0.40129 1.84615
6 5C1P ADP 0.0006048 0.45536 1.96078
7 3VPC ADP 0.0001001 0.44134 2.12766
8 1M0W ANP 0.0006723 0.45589 2.15385
9 4OCV ANP 0.0002884 0.4424 2.15385
10 3VSV XYS 0.009236 0.41631 2.15385
11 2QK4 ATP 0.0002095 0.48898 2.21239
12 1I7L ATP 0.00008483 0.43276 2.26537
13 1YFS ALA 0.01184 0.40829 2.46154
14 4RDL FUC GAL NDG FUC 0.01722 0.40359 2.5974
15 2XOC ADP 0.00544 0.45297 2.68199
16 4U98 ACP 0.0002638 0.45484 2.76923
17 3UDZ ADP 0.00009501 0.45395 2.76923
18 1PK8 ATP 0.00002015 0.44273 2.76923
19 4ME6 ADP 0.01288 0.40762 2.76923
20 1AUX AGS 0.00001885 0.4918 2.89389
21 2IF8 ADP 0.00008759 0.51466 3.07692
22 4PZ6 GMP 0.00147 0.45136 3.07692
23 4UWH JXM 0.001843 0.42632 3.07692
24 2VQD AP2 0.0003353 0.42921 3.69231
25 3TII ANP 0.003356 0.42592 3.69231
26 3TTM PUT 0.01272 0.40046 3.69231
27 4ZS4 ATP 0.0001055 0.45351 3.90879
28 2YW2 ATP 0.0004024 0.42459 4
29 1ZX5 LFR 0.02602 0.40321 4
30 2PUL ACP 0.00001916 0.50042 4.30769
31 5LXT ACP 0.0007276 0.40371 4.30769
32 3PDT ADP 0.0004489 0.45296 4.36364
33 1CKM GTP 0.01255 0.40317 4.61538
34 5W2I ADP 0.00006494 0.42934 4.66926
35 5W2I I3P 0.00006494 0.42934 4.66926
36 4GYI ADP 0.00005428 0.50331 4.92308
37 3I0O ADP 0.00008223 0.50159 4.92308
38 3X01 AMP 0.006205 0.42451 4.92308
39 3ETH ATP 0.001492 0.40168 4.92308
40 2PYW ADP 0.000009993 0.48175 5.23077
41 4CYI ATP 0.0001367 0.44319 5.23077
42 1TZD ADP 0.0004146 0.48361 5.45455
43 3WVR AMP 0.0009857 0.43789 5.53846
44 5GZ9 ANP 0.000003007 0.4892 5.57377
45 3VPD ANP 0.001298 0.40026 5.69395
46 4L2I FAD 0.02573 0.40816 5.70342
47 4CS9 AMP 0.00283 0.4408 5.82011
48 4OAV ACP 0.000002787 0.53787 5.84615
49 3VOT ADP 0.0002794 0.47665 5.84615
50 3BP1 GUN 0.001792 0.45093 6.2069
51 5IQD GNP 0.000005288 0.59318 6.22951
52 5IQD RIO 0.000005688 0.59318 6.22951
53 1W2D ADP 0.001168 0.44747 6.41509
54 2XG5 EC2 0.01451 0.41089 6.42202
55 2XG5 EC5 0.01451 0.41089 6.42202
56 5MW8 ATP 0.00002962 0.4538 6.46154
57 2HGS ADP 0.0007655 0.40234 6.76923
58 2J73 GLC GLC GLC 0.01841 0.4008 6.79612
59 4LH7 1X8 0.01302 0.40247 6.81115
60 5C4L 4XR 0.0000272 0.42082 6.85358
61 2QX0 PH2 0.005881 0.43205 6.91824
62 2AQX ATP 0.001327 0.40158 6.92042
63 2Z49 AMG 0.00718 0.40443 7.07692
64 5DZT AMP 0.006019 0.42486 7.38462
65 1EHI ADP 0.0007143 0.42349 7.38462
66 2CFM AMP 0.006979 0.41095 7.38462
67 3ORQ ADP 0.001929 0.40335 7.38462
68 4XYM A12 0.00107 0.41789 8.26087
69 1TQP ATP 0.0000225 0.45007 8.51064
70 2YRX AMP 0.0007959 0.47128 8.61539
71 2BKK ADP 0.0004995 0.45917 9.46746
72 5VZ0 ADP 0.0003182 0.4495 9.53846
73 3TDV GDP 0.00009178 0.46742 9.80392
74 4R78 AMP 0.00009901 0.50468 11.3269
75 4AZW ATP 0.002091 0.40448 11.6923
76 4AZT LY2 0.003886 0.42293 12
77 3VPB ADP 0.00009615 0.42515 12.5
78 3VHE 42Q 0.0000002208 0.47037 13.5385
79 4ASE AV9 0.00001374 0.43212 13.5385
80 4AG8 AXI 0.0000004237 0.43297 13.9241
81 4WW7 AMP 0.000009851 0.47525 14.1762
82 3LQV ADE 0.004392 0.44395 14.7826
83 1ZTH ADP 0.00008738 0.50036 15.1163
84 1ZP9 ATP 0.0001949 0.46887 15.1163
85 5CKW ANP 0.00006405 0.50669 15.3846
86 1IA9 ANP 0.00006102 0.46341 16.7857
87 3HAV ATP 0.01087 0.41042 17.0569
88 4Q5H ANP 0.0000108 0.50434 18.4211
89 2QLU ADE 0.000008735 0.56771 19.4268
90 5C03 AGS 0.00002047 0.49058 20.3077
91 3C1X CKK 0.0002998 0.42127 20.6154
92 5EOB 5QQ 0.00001184 0.59517 20.6897
93 4WOV 3SM 0.0002993 0.46935 20.8202
94 4O1P ANP 0.000001296 0.5395 22.1538
95 3H9R TAK 0.0001674 0.49369 22.7692
96 3KRL KRL 0.00001475 0.46785 23.3846
97 2H8H H8H 0.00001449 0.49671 23.6923
98 1Y57 MPZ 0.00001584 0.46953 23.6923
99 1JPA ANP 0.00001454 0.52321 24.0385
100 5MJA 7O3 0.0002022 0.46708 24.918
101 4XH0 ADP 0.0000004094 0.63747 25.5385
102 3GNI ATP 0.000003525 0.50176 25.5385
103 4IX4 ADP 0.000002434 0.58051 26.1538
104 1BYG STU 0.0000003724 0.58786 26.259
105 5CEO 50D 0.0001739 0.48817 26.3333
106 5LPZ ADP 0.0000009267 0.54455 26.7692
107 4KBA 1QM 0.000068 0.41686 26.7692
108 1VJY 460 0.0000008222 0.44871 28.3828
109 2OFV 242 0.000001462 0.42604 28.5199
110 4BTK DTQ 0.00000004981 0.5946 28.6154
111 5LPB ADP 0.00006018 0.50796 29.3919
112 5KO1 6UY 0.00000403 0.52887 29.682
113 5HX8 66P 0.00000004365 0.51217 29.8013
114 5U6C 7YS 0.000009119 0.47857 29.8413
115 2PVF ACP 0.0000006011 0.56225 29.8462
116 4IDT T28 0.0000006498 0.56202 29.8462
117 5T8O 76Z 0.0000003787 0.53294 29.8462
118 3GQI ACP 0.000002177 0.52673 30.1538
119 5MY8 RXZ 0.000002439 0.47353 30.1538
120 2X2M X2M 0.000002305 0.4984 30.2548
121 5HES 032 0.00007954 0.51121 30.2932
122 4K33 ACP 0.000001926 0.52005 30.4615
123 4E93 GUI 0.00000218 0.43886 30.4615
124 5UR1 YY9 0.000004442 0.4406 30.5466
125 3RI1 3RH 0.000002961 0.46712 30.6709
126 1K3A ACP 0.000008279 0.5407 30.7692
127 3LXN MI1 0.0000001005 0.55838 30.8176
128 5LXC 7AA 0.00000001928 0.66536 31.0769
129 3PP0 03Q 0.000007016 0.45241 31.0769
130 1U5R ATP 0.0000003756 0.57321 31.3846
131 4YLL 4E3 0.0000005224 0.51246 31.3846
132 5BYZ 4WE 0.00001684 0.41306 31.3846
133 3VRY B43 0.00005962 0.42524 31.6923
134 2CSN CKI 0.00000002801 0.52431 31.9865
135 3LXK MI1 0.0000004613 0.47583 32
136 4Y93 746 0.0001435 0.41793 32
137 5JKG 6LF 0.000003814 0.40373 32.1543
138 2F57 23D 0.00002148 0.51077 32.1767
139 1OPK P16 0.00001566 0.41045 32.3077
140 4AU8 Z3R 0.000005219 0.55782 32.4324
141 4GJ3 0XP 0.00000009663 0.47312 32.4503
142 2XVD AS6 0.00001341 0.42676 32.4503
143 4FL3 ANP 0.000004886 0.48827 32.6154
144 2Y6O 1N1 0.0001021 0.43584 32.646
145 5USZ SKE 0.00000364 0.45605 32.872
146 3O0G 3O0 0.0000003752 0.60941 32.8767
147 1UNH IXM 0.000006768 0.5447 32.8767
148 3PLS ANP 0.0000005702 0.5664 32.8859
149 3F7Z 34O 0.00000002923 0.603 33.2308
150 4NM5 ADP 0.00000008268 0.53366 33.2308
151 3ZRM ZRM 0.000002128 0.52882 33.2308
152 2JLD AG1 0.00000001116 0.49633 33.2308
153 4QMN DB8 0.0000008996 0.43173 33.5484
154 4U0I 0LI 0.00002117 0.4039 33.6508
155 3KMW ATP 0.003862 0.40719 34.1085
156 3SLS ANP 0.000003883 0.49609 34.2105
157 4FF8 14S 0.002079 0.4357 34.3653
158 5TO8 7FM 0.0000008274 0.41797 34.3972
159 4OTH DRN 0.000000006952 0.58906 34.4615
160 4E1Z 0MX 0.00000004062 0.54119 34.7079
161 3UIM ANP 0.0000003205 0.56558 34.7692
162 2A19 ANP 0.000002239 0.57508 34.8592
163 3GC0 AMP 0.000009828 0.53728 34.9544
164 4YZC STU 0.0000001383 0.44532 35.0769
165 5H2U 1N1 0.0003342 0.44125 35.206
166 4Y85 499 0.0002998 0.4522 35.3846
167 5DA3 58V 0.00003246 0.52055 35.4717
168 4EWH T77 0.000006468 0.44924 35.6364
169 2OO8 RAJ 0.00079 0.40294 35.6467
170 3EKK GS2 0.000001287 0.4227 36.8078
171 3BU5 ATP 0.0000005276 0.55391 36.9281
172 5DBX ANP 0.000004898 0.55113 37.2308
173 4CRL C1I 0.000001224 0.43446 37.2308
174 4XLI 1N1 0.00008133 0.47453 37.6866
175 3SXS PP2 0.00003492 0.46262 37.6866
176 5JGA 6KC 0.00002188 0.40552 37.7778
177 3TXO 07U 0.0000001081 0.61014 37.8462
178 4BHN BH9 0.0000001599 0.54964 37.8462
179 4WNK 453 0.0000008433 0.46233 37.8462
180 2HK5 1BM 0.00002307 0.46806 38.1481
181 3GC8 B45 0.0000004946 0.52136 38.1538
182 1XJD STU 0.000000006216 0.61194 38.4615
183 4YMJ 4EJ 0.000001779 0.60435 38.8158
184 3SRV S19 0.00000007207 0.60101 38.9892
185 3PVW QRX 0.00000138 0.471 39.0769
186 5UKL SIX 0.00001282 0.44452 39.0769
187 5VC5 96M 0.000002942 0.44813 39.1003
188 1U59 STU 0.000000007552 0.62542 39.3728
189 2QCS ANP 0.00000003501 0.52377 39.3846
190 4CSV STI 0.0001328 0.42632 39.6364
191 1O9U ADZ 0.0000001949 0.67656 39.6923
192 2WU6 DKI 0.00000004756 0.54956 39.6923
193 3ALN ANP 0.000004744 0.50178 39.6923
194 1RE8 BD2 0.000000006806 0.753 40
195 5X8I SQZ 0.000000002187 0.64837 40
196 3HMO STU 0.0000002481 0.57957 40
197 3IDB ANP 0.00000001033 0.5677 40
198 3FHI ANP 0.00000004411 0.52023 40
199 5EFQ ADP 0.0000001191 0.58136 40.3077
200 4QTB 38Z 0.0000001427 0.49043 40.3077
201 4WB7 ATP 0.0000003177 0.44071 40.3077
202 5HQ0 LZ9 0.00000004068 0.572 40.3974
203 5JFS 6K0 0.000001606 0.40516 40.5844
204 4WB6 ATP 0.00000007478 0.51346 40.6154
205 4AUA 4AU 0.000005331 0.52762 40.7166
206 3PTG 932 0.00000004167 0.66741 40.9231
207 2B9J ADP 0.00000003508 0.61491 40.9231
208 2B9I ADP 0.00000004278 0.59661 40.9231
209 2B9H ADP 0.00000004926 0.57871 40.9231
210 1CM8 ANP 0.000003489 0.5338 40.9231
211 3TTI KBI 0.000003854 0.46821 40.9231
212 2B9F ADP 0.00000005307 0.5933 41.2308
213 5LI1 ANP 0.00000005799 0.55532 41.2308
214 4LOO SB4 0.0002318 0.45049 41.2308
215 3E7O 35F 0.000003962 0.41783 41.2308
216 4NST ADP 0.0000001762 0.62807 41.5385
217 5LI9 ACP 0.000008471 0.49784 41.5385
218 5N87 N66 0.00000003205 0.46305 41.853
219 4DC2 ADE 0.0000001265 0.66817 42.4615
220 2F2U M77 0.0000000249 0.66683 42.4615
221 2BPM 529 0.00000003031 0.41445 42.7184
222 4H3P ANP 0.00000006685 0.59147 42.7692
223 4H3Q ANP 0.0000001999 0.52911 42.7692
224 4BCN T9N 0.0000002072 0.61402 43
225 1ZY5 ANP 0.0000006828 0.5629 43.2343
226 4L9I 8PR 0.000004159 0.52848 43.3846
227 5TA6 79D 0.00002006 0.42672 43.3846
228 4CFU 2WC 0.00000003687 0.62953 43.5644
229 4BCQ TJF 0.0000003324 0.61398 43.8538
230 4BCM T7Z 0.0000004815 0.55867 43.8538
231 1V0O INR 0.000001111 0.53349 44.0972
232 5AWM ANP 0.00000148 0.58352 44.3077
233 5LMK 6ZK 0.0000006688 0.57541 44.4444
234 4UX9 ANP 0.00000004165 0.5756 44.9231
235 4IZY 1J2 0.00000005756 0.56527 44.9231
236 5UOX 8GY 0.0000001407 0.5417 45.0185
237 4D2S DYK 0.000002956 0.56117 46.4789
238 4AT3 LTI 0.00004121 0.40936 46.4883
239 3HZT J60 0.0000003924 0.6106 47.3846
240 2ZV2 609 0.000001776 0.57981 47.651
241 2V7O DRN 0.00000000193 0.73173 48.3077
242 2WEL K88 0.000009633 0.56888 48.9231
243 4I6H 1C8 0.00009039 0.4634 49.6753
244 4FG8 ATP 0.0000004397 0.53886 49.8413
Pocket No.: 2; Query (leader) PDB : 3KN5; Ligand: ANP; Similar sites found: 41
This union binding pocket(no: 2) in the query (biounit: 3kn5.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2NZU BG6 0.02112 0.40056 1.78571
2 2IO8 ADP 0.0006398 0.40795 2.15385
3 1E4E ADP 0.002479 0.41249 2.46154
4 4Y4V DAL 0.03058 0.40074 2.76923
5 4O4F ATP 0.0006184 0.41045 2.82258
6 4O4F IHP 0.000659 0.40414 2.82258
7 3DNT ATP 0.001401 0.40084 3.07692
8 4FE2 ADP 0.007001 0.41106 3.13725
9 5EXK MET 0.01977 0.40512 3.38462
10 5HSS 64Z 0.01277 0.4071 4
11 3FU7 3DM 0.008519 0.40313 4
12 1CKN GTP 0.01072 0.41082 4.61538
13 3W0O HY0 0.0002323 0.40186 4.92308
14 3W0O ADP 0.0002323 0.40186 4.92308
15 3ZJX BOG 0.02434 0.40069 5.19031
16 5TT6 ATP 0.001243 0.40967 6.15385
17 1OBD ATP 0.003755 0.42366 6.20915
18 1W2D 4IP 0.0005014 0.4056 6.41509
19 1M26 GAL A2G 0.01263 0.41781 6.76692
20 2J73 GLC GLC GLC GLC 0.01031 0.41789 6.79612
21 4DFU QUE 0.003846 0.43787 6.8323
22 5C4L SIS 0.0002396 0.40265 6.85358
23 2Z48 A2G 0.01036 0.41426 7.07692
24 2Z48 NGA 0.01258 0.41336 7.07692
25 4PU5 ANP 0.0009976 0.41127 7.07692
26 1F1V DHY 0.01542 0.40306 7.43034
27 4LO2 GAL BGC 0.01169 0.41454 8.44595
28 5K2M ADP 0.0009705 0.40552 9.43396
29 3O5N BR0 0.01014 0.40802 11.6071
30 4OUJ LBT 0.003388 0.45436 14.0065
31 2UYN 2KT 0.01395 0.40151 17.0543
32 2CBT TH2 0.01078 0.41533 17.8571
33 2GQR ADP 0.002801 0.42086 20.2532
34 2GQS ADP 0.007961 0.40073 21.097
35 3E8N VRA 0.000001532 0.40607 27.6923
36 3E8N ATP 0.000001532 0.40607 27.6923
37 4P5Z Q7M 0.00001316 0.40088 29.8462
38 5FBN 5WF 0.00008118 0.40253 38.0074
39 4TWP AXI 0.0000007469 0.40066 38.0074
40 2GU8 796 0.000000007689 0.41243 40
41 5EKO N17 0.001214 0.40287 42.4615
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