Receptor
PDB id Resolution Class Description Source Keywords
4C2W 1.7 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF AURORA B IN COMPLEX WITH AMP-PNP XENOPUS LAEVIS TRANSFERASE
Ref.: STRUCTURE OF AURORA B-INCENP IN COMPLEX WITH BARASE REVEALS A POTENTIAL TRANSINHIBITORY MECHANISM ACTA CRYSTALLOGR.,SECT.F V. 70 294 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:1001;
B:1002;
Valid;
Valid;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4C2W 1.7 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF AURORA B IN COMPLEX WITH AMP-PNP XENOPUS LAEVIS TRANSFERASE
Ref.: STRUCTURE OF AURORA B-INCENP IN COMPLEX WITH BARASE REVEALS A POTENTIAL TRANSINHIBITORY MECHANISM ACTA CRYSTALLOGR.,SECT.F V. 70 294 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 4C2W - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 5EYK ic50 = 3 nM 5U5 C29 H28 N4 O2 CCNC(=O)C#....
2 5K3Y - 6Q4 C28 H38 F3 N7 O2 CC(C)NC(=O....
3 2VGP ic50 = 577 nM AD6 C11 H10 Br N3 O S CNC(=O)c1c....
4 2VGO ic50 = 500 nM AD5 C21 H27 N7 O c1cc(ccc1N....
5 2VRX - 447 C29 H31 N5 O4 COc1cc2c(c....
6 3ZTX - ZTX C24 H26 N6 O2 CN1c2ccccc....
7 2BFY - H1N C29 H32 N4 O3 S CCS(=O)(=O....
8 4C2V ic50 = 1 nM YJA C26 H30 F N7 O3 CCN(CCCOc1....
9 4C2W - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 5EYK ic50 = 3 nM 5U5 C29 H28 N4 O2 CCNC(=O)C#....
2 5K3Y - 6Q4 C28 H38 F3 N7 O2 CC(C)NC(=O....
3 2VGP ic50 = 577 nM AD6 C11 H10 Br N3 O S CNC(=O)c1c....
4 2VGO ic50 = 500 nM AD5 C21 H27 N7 O c1cc(ccc1N....
5 2VRX - 447 C29 H31 N5 O4 COc1cc2c(c....
6 3ZTX - ZTX C24 H26 N6 O2 CN1c2ccccc....
7 2BFY - H1N C29 H32 N4 O3 S CCS(=O)(=O....
8 4C2V ic50 = 1 nM YJA C26 H30 F N7 O3 CCN(CCCOc1....
9 4C2W - 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 : 4C2W; Ligand: ANP; Similar sites found: 252
This union binding pocket(no: 1) in the query (biounit: 4c2w.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5LN8 GAL 0.005073 0.41254 None
2 3M3E GAL A2G NPO 0.009922 0.40583 1.24224
3 5C8W PCG 0.005729 0.40691 2.0979
4 4B1L FRU 0.00117 0.46645 2.42424
5 5JNN 6LM 0.00793 0.42368 2.63158
6 1S68 AMP 0.003516 0.41139 3.21285
7 5I35 ANP 0.000001401 0.53944 3.22581
8 2PYW ADP 0.00000339 0.4927 3.22581
9 4RDL FUC GAL NDG FUC 0.007493 0.41879 3.22581
10 3ORQ ADP 0.001628 0.40459 3.22581
11 2IF8 ADP 0.0008502 0.463 3.94265
12 4M7V RAR 0.03057 0.41518 4
13 4M7V NAP 0.01816 0.41518 4
14 5HP8 PYR 0.00888 0.41117 4.03226
15 3W68 4PT 0.01376 0.40781 4.13534
16 4GYI ADP 0.0002145 0.46959 4.30108
17 3JRS A8S 0.01578 0.40573 4.32692
18 3WVR AMP 0.0004072 0.44941 5.01792
19 1I7L ATP 0.0003826 0.41262 5.01792
20 2Q2V NAD 0.02303 0.40991 5.09804
21 2R85 AMP 0.008276 0.4313 5.37634
22 5C4L 4XR 0.00008199 0.53243 5.73477
23 5C4L SIS 0.000652 0.48702 5.73477
24 1EHI ADP 0.001226 0.41471 5.76923
25 1AE1 NAP 0.03026 0.40603 5.86081
26 2YRX AMP 0.003133 0.43718 6.20843
27 1M0W ANP 0.0007727 0.4585 6.45161
28 3OCP CMP 0.009983 0.40125 6.47482
29 2PUL ACP 0.00003439 0.48308 6.81004
30 1OBD ATP 0.004693 0.40981 6.81004
31 2QK4 ATP 0.0009288 0.44355 7.16846
32 1UPR 4IP 0.01887 0.41075 7.31707
33 5IQD RIO 0.0009645 0.48642 7.52688
34 5IQD GNP 0.0009125 0.48642 7.52688
35 3HAV ATP 0.002807 0.41047 7.52688
36 4OAV ACP 0.00000003977 0.59885 7.69231
37 2VPQ ANP 0.0001102 0.42855 7.69231
38 2VQD AP2 0.0003019 0.42797 7.69231
39 4NZF ARB 0.007937 0.4152 7.69231
40 4LO2 GAL BGC 0.004349 0.4301 8.84354
41 2GQR ADP 0.001252 0.45098 8.86076
42 5VZ0 ADP 0.0003306 0.44515 9.61539
43 5C1P ADP 0.0008088 0.44422 9.61539
44 2GQS ADP 0.0005695 0.43496 9.61539
45 1ZOA 140 0.02389 0.41345 9.61539
46 3VSV XYS 0.014 0.40348 9.61539
47 2AE2 NAP 0.04999 0.40128 9.61539
48 3TDV GDP 0.0001473 0.45222 10.3943
49 1ZTH ADP 0.00006416 0.50351 11.5385
50 1ZP9 ATP 0.0001077 0.47222 11.5385
51 5K2M ADP 0.001314 0.46214 11.5385
52 5COU ATP 0.003511 0.42965 11.5385
53 3WXL ADP 0.00393 0.42472 11.5385
54 3TII ANP 0.003173 0.42452 11.5385
55 3PN1 IVH 0.002409 0.41821 11.5385
56 2QS8 MET 0.006137 0.41576 11.5385
57 4OCV ANP 0.002 0.4073 11.5385
58 4PIV NDP 0.02841 0.40523 11.5385
59 4FMJ SIA GAL 0.01578 0.40003 11.5385
60 4XMF HSM 0.003943 0.45905 12.5
61 4AZT LY2 0.003816 0.42078 12.9032
62 1IOW PHY 0.002294 0.46342 13.4615
63 3B6R CRN 0.000681 0.43733 13.4615
64 2CFM AMP 0.002606 0.42851 13.4615
65 5DZT AMP 0.007926 0.41603 13.4615
66 2BKK ADP 0.007126 0.41498 13.4615
67 1UI0 URA 0.01743 0.40283 13.4615
68 1VBH PEP 0.017 0.40007 13.4615
69 5GZ9 ANP 0.00000008658 0.66499 14.3369
70 4FFG LBS 0.006822 0.41573 14.6953
71 1IA9 ANP 0.0002216 0.43935 15.3846
72 1U6R IOM 0.00228 0.43763 15.3846
73 2IO8 ADP 0.0001537 0.41488 15.3846
74 4FC7 NAP 0.04806 0.40386 15.3846
75 4FC7 COA 0.04806 0.40386 15.3846
76 5IXJ THR 0.04506 0.40191 15.3846
77 1AUX AGS 0.0002648 0.44613 15.4122
78 1PK8 ATP 0.0003532 0.40927 15.4122
79 4O1P ANP 0.0000000008429 0.74887 16.129
80 5KBE IPH 0.01606 0.40005 17.0306
81 5CKW ANP 0.001852 0.43542 17.3077
82 4U98 ACP 0.0007324 0.43445 17.3077
83 3VPC ADP 0.0001901 0.42974 17.3077
84 1GSA ADP 0.0001629 0.42905 17.3077
85 3VPB ADP 0.00008657 0.42266 17.3077
86 3MTX PGT 0.02799 0.40988 17.3077
87 4L2I FAD 0.0412 0.40111 17.3077
88 3T4L ZEA 0.002438 0.40018 17.3077
89 3VPD ANP 0.001706 0.45293 19.2308
90 4R78 AMP 0.003162 0.42958 19.2308
91 3ZJX BOG 0.007623 0.4194 19.2308
92 3K5I ADP 0.001057 0.41085 19.2308
93 3P7G MAN 0.01065 0.41032 19.2308
94 4CYI ATP 0.00001321 0.46988 20.0717
95 4Q5H ANP 0.00007325 0.46281 21.0526
96 5C03 AGS 0.0000001331 0.56593 21.5054
97 4WOV 3SM 0.000005499 0.53888 21.5054
98 5MY8 RXZ 0.00000003481 0.52243 22.9391
99 5MW8 ATP 0.000005086 0.57841 23.0769
100 3VOT ADP 0.001737 0.43672 23.0769
101 3LQV ADE 0.003846 0.43438 23.0769
102 4WW7 AMP 0.0001287 0.43279 23.0769
103 3I0O ADP 0.002144 0.43246 23.0769
104 3DNT ATP 0.009419 0.41999 23.0769
105 3VHE 42Q 0.00000003955 0.48056 23.2975
106 4XYM A12 0.001446 0.40995 23.4783
107 4IX4 ADP 0.001521 0.45341 26.5233
108 3UDZ ADP 0.000004313 0.57409 26.9231
109 3KMW ATP 0.0002644 0.44956 28.7823
110 3LXN MI1 0.0000000007298 0.61658 30.466
111 4GJ3 0XP 0.00000002565 0.47893 30.466
112 4P5Z Q7M 0.00000008845 0.4357 30.466
113 4XH0 ADP 0.000001203 0.60829 30.7692
114 1TQP ATP 0.0002479 0.40819 30.7692
115 3C1X CKK 0.000004747 0.47319 31.1828
116 4EWH T77 0.00000007644 0.49216 31.2727
117 5EOB 5QQ 0.000000142 0.70507 31.5412
118 3PP0 03Q 0.000009234 0.43827 31.5412
119 1BYG STU 0.000000003084 0.71381 31.6547
120 3GNI ATP 0.00000001398 0.57006 31.8996
121 5NKB 8ZT 0.0000004646 0.40755 32.2581
122 4BTK DTQ 0.00000532 0.56687 32.6165
123 2Y6O 1N1 0.0000009394 0.50233 32.6165
124 3PDT ADP 0.00005109 0.48714 32.6923
125 4ZS4 ATP 0.00001237 0.48357 32.6923
126 1TZD ADP 0.0008614 0.47454 32.6923
127 5LXC 7AA 0.000000002864 0.71533 32.9749
128 3UIM ANP 0.00000005893 0.58304 32.9749
129 5HES 032 0.0000003748 0.63109 33.3333
130 4FL3 ANP 0.00000001065 0.57031 33.3333
131 5KO1 6UY 0.000007288 0.51026 33.3333
132 2XVD AS6 0.00000008 0.49031 33.3333
133 1U59 STU 0.00000001738 0.59949 33.6918
134 2QLU ADE 0.00000285 0.59455 33.6918
135 5MJA 7O3 0.000009437 0.518 33.6918
136 4E1Z 0MX 0.0000003654 0.50339 33.6918
137 1VJY 460 0.0000001157 0.46361 33.6918
138 1OPK P16 0.000006253 0.41999 33.6918
139 2CSN CKI 0.0000001105 0.49674 34.0502
140 4U0I 0LI 0.000015 0.56962 34.4086
141 4LOO SB4 0.00002415 0.47919 34.4086
142 3LXK MI1 0.0000002012 0.47446 34.4086
143 1W2D ADP 0.0009088 0.44985 34.6154
144 4FE2 ADP 0.003158 0.41703 34.6154
145 3PLS ANP 0.000000003359 0.71619 34.767
146 1U5R ATP 0.00000000036 0.68039 34.767
147 3GC8 B45 0.00002625 0.45215 34.767
148 5LPB ADP 0.000001964 0.57409 35.1254
149 4IDT T28 0.0000002184 0.57021 35.1254
150 5LPZ ADP 0.0000006074 0.54321 35.1254
151 2H8H H8H 0.000003033 0.51495 35.1254
152 4KBA 1QM 0.00004529 0.41848 35.1254
153 3SRV S19 0.00000003362 0.6049 35.3791
154 1CM8 ANP 0.00007381 0.46989 35.4839
155 1JPA ANP 0.000001353 0.44451 35.4839
156 5BYZ 4WE 0.00000154 0.43787 35.4839
157 1Y57 MPZ 0.000002571 0.48255 35.8423
158 5U6C 7YS 0.000006254 0.48142 35.8423
159 5T8O 76Z 0.000007352 0.48081 35.8423
160 3E8N ATP 0.00000002572 0.41089 35.8423
161 3E8N VRA 0.00000002572 0.41089 35.8423
162 5HCY 60D 0.0000002401 0.40523 35.8423
163 4XLI 1N1 0.000004506 0.51701 36.194
164 2HK5 1BM 0.00001195 0.47354 36.2963
165 3KRL KRL 0.000000009825 0.55979 36.5591
166 5JGA 6KC 0.00000001622 0.47327 36.5591
167 4AT3 LTI 0.0000009292 0.442 36.9176
168 4CSV STI 0.000053 0.43624 37.4545
169 5EKO N17 0.00002672 0.44318 37.6344
170 5TO8 7FM 0.000000242 0.42458 37.6344
171 2X2M X2M 0.000000007804 0.56799 37.9928
172 3VRY B43 0.000002279 0.46791 37.9928
173 3BU5 ATP 0.000000001727 0.63345 38.3513
174 5JKG 6LF 0.00000001495 0.44155 38.3513
175 3X01 AMP 0.002063 0.44776 38.4615
176 5H2U 1N1 0.0001192 0.45583 38.5768
177 1PHK ATP 0.000000003837 0.72106 38.7097
178 4NST ADP 0.000000005157 0.71119 38.7097
179 3EKK GS2 0.00000001892 0.45172 38.7097
180 5DA3 58V 0.0000005871 0.59853 38.8679
181 2OFV 242 0.00001456 0.57701 38.9892
182 5EFQ ADP 0.000000002116 0.63691 39.0681
183 5USZ SKE 0.0000000563 0.49827 39.0681
184 4CLI 5P8 0.00000001898 0.73762 39.4265
185 4Y85 499 0.0001363 0.46047 39.7849
186 2OO8 RAJ 0.0002613 0.41997 39.7849
187 4K33 ACP 0.000000005664 0.60262 40.1434
188 4Y93 746 0.0000002018 0.49347 40.1434
189 5FBN 5WF 0.000000279 0.43654 40.5904
190 2PVF ACP 0.000000001283 0.65696 40.8602
191 3RI1 3RH 0.00000000495 0.53157 40.8602
192 5VC5 96M 0.00000001885 0.50305 40.8602
193 4CRL C1I 0.000001504 0.42147 40.8602
194 3GQI ACP 0.000000006755 0.61118 41.2186
195 2WU6 DKI 0.00000003307 0.54141 41.2186
196 4YZC STU 0.0000000007445 0.79862 41.5771
197 5CEO 50D 0.0000005929 0.61251 41.5771
198 5HX8 66P 0.000000006954 0.5282 41.5771
199 4ASE AV9 0.000000879 0.45669 41.5771
200 4AG8 AXI 0.00000006525 0.44275 41.5771
201 5UR1 YY9 0.0000000694 0.41853 41.5771
202 1K3A ACP 0.0000000003486 0.75388 41.9355
203 2A19 ANP 0.000000352 0.60888 41.9355
204 3NW7 LGV 0.0000001182 0.69934 42.2939
205 5DBX ANP 0.00000007594 0.61961 42.2939
206 4YMJ 4EJ 0.0000000438 0.68103 42.6523
207 3PTG 932 0.0000004233 0.59269 43.0108
208 5TA6 79D 0.00000004161 0.49802 43.0108
209 3TTI KBI 0.0000001513 0.48776 43.0108
210 4WNK 453 0.0000004014 0.46375 43.0108
211 3E7O 35F 0.0000003277 0.4366 43.0108
212 3SXS PP2 0.0000001899 0.53597 43.2836
213 3ALN ANP 0.0000000764 0.55101 43.7276
214 5UOX 8GY 0.000000324 0.52018 43.9114
215 1O9U ADZ 0.00000006102 0.70038 44.086
216 5X8I SQZ 0.00000005264 0.57983 44.086
217 4IZY 1J2 0.0000001886 0.53837 44.086
218 4NM5 ADP 0.0000005978 0.49759 44.086
219 4E93 GUI 0.0000001272 0.46279 44.086
220 2JLD AG1 0.0000000614 0.45737 44.086
221 4YLL 4E3 0.0000007004 0.49688 44.2308
222 4UX9 ANP 0.00000000655 0.59157 44.4444
223 3F7Z 34O 0.0000003405 0.54871 44.4444
224 3ZRM ZRM 0.00000102 0.53638 44.4444
225 3H9R TAK 0.000009558 0.55019 44.8029
226 3SLS ANP 0.00000000426 0.57659 45.1613
227 4H3Q ANP 0.0000001272 0.51985 45.1613
228 4H3P ANP 0.00000001159 0.6052 45.5197
229 5JFS 6K0 0.0000001724 0.4156 45.5197
230 4BHN BH9 0.0000003002 0.53262 45.8781
231 4QTB 38Z 0.00000001692 0.4986 45.8781
232 5N87 N66 0.000000008798 0.46245 45.8781
233 4D2S DYK 0.00000008161 0.61804 46.1268
234 3HMO STU 0.000000006644 0.62894 46.2366
235 5UKL SIX 0.000001366 0.61583 46.2366
236 5AWM ANP 0.000002433 0.56975 46.2366
237 4L9I 8PR 0.0000002537 0.56829 46.2366
238 2B9F ADP 0.0000001222 0.56537 46.2366
239 3PVW QRX 0.00000001308 0.52402 46.2366
240 2F57 23D 0.00000001586 0.63125 46.9534
241 2B9H ADP 0.0000002646 0.63249 47.3118
242 2B9J ADP 0.0000002355 0.56969 47.3118
243 1ZY5 ANP 0.0000002908 0.56393 47.3118
244 2B9I ADP 0.0000001975 0.55853 47.3118
245 4QMN DB8 0.0000001055 0.4404 47.3118
246 4I6H 1C8 0.00000005636 0.58207 48.0287
247 3GC0 AMP 0.00000002897 0.63977 48.3871
248 2ZV2 609 0.000002012 0.57359 48.3871
249 3HZT J60 0.0000003964 0.60648 48.7455
250 2VZ6 FEF 0.0000002919 0.59364 48.7455
251 4AUA 4AU 0.0000009521 0.54607 49.1039
252 5HQ0 LZ9 0.0000000492 0.55768 49.8208
Pocket No.: 2; Query (leader) PDB : 4C2W; Ligand: ANP; Similar sites found: 27
This union binding pocket(no: 2) in the query (biounit: 4c2w.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XKD NAP 0.005323 0.45183 1.79211
2 3I7S PYR 0.01197 0.40221 2.15054
3 3W9F I3P 0.02697 0.40295 2.69231
4 5K6A NAP 0.03284 0.4092 2.86738
5 1HEX NAD 0.02038 0.41984 3.94265
6 4LI4 AMP 0.005375 0.4015 5.14706
7 4MO4 ACP 0.03299 0.41902 5.76923
8 2RDT 2RD 0.03798 0.40689 5.76923
9 1MXH DHF 0.03432 0.41693 5.7971
10 1R37 NAD 0.04397 0.40698 6.45161
11 3Q9T FAY 0.01821 0.43182 7.69231
12 3MMH SME 0.01636 0.40138 10.1796
13 1M15 ADP 0.01135 0.43906 10.7527
14 1M15 ARG 0.01135 0.43906 10.7527
15 5EB4 FAD 0.02208 0.42783 11.5385
16 3OZG SSI 0.01122 0.41725 11.5385
17 1VG0 GER 0.01584 0.40519 11.5385
18 2UZI GTP 0.03316 0.40443 11.5385
19 5SXS NIZ 0.01869 0.4001 11.5385
20 2V5K OXM 0.01132 0.41333 13.4615
21 3GDN FAD 0.0473 0.4112 13.4615
22 1VRP ADP 0.01246 0.41291 15.3846
23 3QXV MTX 0.02451 0.4001 15.3846
24 3HRD FAD 0.03576 0.41865 23.0769
25 1RO7 CSF 0.01527 0.42297 25
26 5E5U MLI 0.02498 0.41186 28.8462
27 4FF8 14S 0.00004216 0.53234 46.595
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