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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 117 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 91 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 60 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: 373
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 AP5 0.802632 0.945205
5 ADP 0.802632 0.972222
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 HEJ 0.772152 0.972222
9 ATP 0.772152 0.972222
10 AT4 0.769231 0.933333
11 AN2 0.769231 0.986111
12 5FA 0.7625 0.972222
13 AQP 0.7625 0.972222
14 M33 0.759494 0.932432
15 MAP 0.752941 0.972973
16 ACP 0.75 0.945946
17 AR6 0.740741 0.945205
18 APR 0.740741 0.945205
19 ACQ 0.73494 0.945946
20 AD9 0.731707 0.945946
21 SAP 0.731707 0.921053
22 AGS 0.731707 0.921053
23 A 0.723684 0.944444
24 AMP 0.723684 0.944444
25 ATF 0.717647 0.933333
26 ADX 0.716049 0.851852
27 CA0 0.716049 0.92
28 6YZ 0.709302 0.945946
29 50T 0.707317 0.932432
30 PRX 0.698795 0.87013
31 ABM 0.696203 0.893333
32 AP2 0.679012 0.933333
33 A12 0.679012 0.933333
34 APC 0.678571 0.933333
35 T99 0.674419 0.933333
36 TAT 0.674419 0.933333
37 A22 0.674157 0.958904
38 SRA 0.670886 0.894737
39 SRP 0.670455 0.883117
40 5AL 0.666667 0.906667
41 A1R 0.659341 0.884615
42 ADQ 0.659341 0.92
43 A3R 0.659341 0.884615
44 3OD 0.648936 0.92
45 BIS 0.648936 0.909091
46 5SV 0.648352 0.82716
47 9X8 0.645161 0.896104
48 OAD 0.645161 0.92
49 25L 0.642105 0.958904
50 AMO 0.641304 0.907895
51 G5P 0.636364 0.897436
52 DLL 0.634409 0.906667
53 AHX 0.634409 0.897436
54 00A 0.634409 0.860759
55 ADV 0.632184 0.907895
56 RBY 0.632184 0.907895
57 ADP PO3 0.632184 0.917808
58 NB8 0.631579 0.897436
59 25A 0.630435 0.945205
60 OOB 0.630435 0.906667
61 8QN 0.630435 0.906667
62 G3A 0.626263 0.897436
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 TXA 0.614583 0.907895
67 1ZZ 0.614583 0.819277
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 9ZD 0.612903 0.909091
71 9ZA 0.612903 0.909091
72 3UK 0.610526 0.894737
73 SON 0.604651 0.907895
74 ADP ALF 0.604396 0.848101
75 ALF ADP 0.604396 0.848101
76 PR8 0.604167 0.829268
77 B5V 0.604167 0.883117
78 WAQ 0.604167 0.860759
79 4UV 0.6 0.871795
80 GAP 0.6 0.87013
81 PTJ 0.597938 0.873418
82 FYA 0.597938 0.881579
83 VO4 ADP 0.597826 0.906667
84 ADP VO4 0.597826 0.906667
85 LMS 0.597561 0.829268
86 UP5 0.596154 0.896104
87 FA5 0.59596 0.883117
88 YAP 0.59596 0.871795
89 PAP 0.595506 0.958333
90 A4P 0.59434 0.823529
91 XAH 0.59 0.841463
92 4UU 0.588235 0.871795
93 AFH 0.588235 0.8625
94 9SN 0.585859 0.85
95 2A5 0.58427 0.894737
96 T5A 0.583333 0.821429
97 DQV 0.582524 0.932432
98 NAI 0.580952 0.884615
99 B5M 0.58 0.871795
100 B5Y 0.58 0.871795
101 ITT 0.579545 0.917808
102 ATR 0.577778 0.944444
103 OMR 0.575472 0.831325
104 5AS 0.574713 0.781609
105 YLP 0.571429 0.8
106 48N 0.571429 0.873418
107 AP0 0.570093 0.873418
108 4TC 0.570093 0.873418
109 7D3 0.569767 0.881579
110 ADJ 0.568807 0.831325
111 GNP 0.568421 0.922078
112 9GM 0.568421 0.922078
113 DAL AMP 0.568421 0.881579
114 6V0 0.566038 0.873418
115 TXD 0.566038 0.884615
116 DND 0.566038 0.907895
117 NAX 0.566038 0.851852
118 4UW 0.566038 0.839506
119 NXX 0.566038 0.907895
120 XYA 0.565789 0.821918
121 RAB 0.565789 0.821918
122 ADN 0.565789 0.821918
123 AOC 0.564706 0.8
124 7D4 0.561798 0.881579
125 ADP BMA 0.561224 0.894737
126 TXE 0.560748 0.884615
127 TYM 0.560748 0.883117
128 GA7 0.557692 0.883117
129 YLC 0.555556 0.819277
130 YLB 0.555556 0.8
131 139 0.554545 0.851852
132 5N5 0.551282 0.797297
133 JB6 0.55 0.860759
134 LAQ 0.54717 0.819277
135 F2R 0.544643 0.843373
136 MYR AMP 0.544554 0.797619
137 5CD 0.544304 0.783784
138 A4D 0.544304 0.797297
139 80F 0.54386 0.821429
140 7MD 0.542857 0.864198
141 6AD 0.542553 0.886076
142 A2R 0.541667 0.958904
143 UPA 0.541284 0.884615
144 YLA 0.540541 0.8
145 A A 0.54 0.918919
146 BTX 0.539823 0.821429
147 COD 0.539823 0.793103
148 HFD 0.537634 0.921053
149 G5A 0.537634 0.781609
150 3DH 0.535714 0.753247
151 AYB 0.535714 0.790698
152 CNA 0.535714 0.907895
153 BT5 0.535088 0.811765
154 ATP A A A 0.533981 0.905405
155 IOT 0.531532 0.811765
156 MTA 0.53012 0.753247
157 3AM 0.529412 0.90411
158 A3P 0.52809 0.944444
159 PPS 0.526316 0.851852
160 NAD 0.526316 0.906667
161 EP4 0.52439 0.734177
162 7D5 0.52381 0.855263
163 AMP DBH 0.52381 0.87013
164 J7C 0.522727 0.75
165 A5A 0.520833 0.809524
166 EAD 0.520661 0.851852
167 TSB 0.520408 0.821429
168 AHZ 0.518519 0.797619
169 DTA 0.518072 0.766234
170 M2T 0.518072 0.716049
171 A3D 0.517241 0.894737
172 6RE 0.517241 0.740741
173 YLY 0.516949 0.790698
174 SSA 0.515464 0.802326
175 NA7 0.514852 0.933333
176 ARG AMP 0.514019 0.809524
177 AR6 AR6 0.514019 0.893333
178 7MC 0.513514 0.843373
179 A2P 0.511111 0.930556
180 52H 0.510204 0.781609
181 VMS 0.510204 0.790698
182 54H 0.510204 0.790698
183 TYR AMP 0.509434 0.848101
184 TAD 0.509259 0.8625
185 NAQ 0.508333 0.85
186 A3N 0.505618 0.766234
187 AV2 0.505155 0.893333
188 53H 0.50505 0.781609
189 5CA 0.50505 0.802326
190 8X1 0.50505 0.755556
191 ARU 0.504951 0.839506
192 ZID 0.504132 0.894737
193 P1H 0.504 0.831325
194 NAE 0.5 0.871795
195 3AT 0.5 0.945205
196 AVV 0.5 0.873418
197 P5A 0.495146 0.747253
198 NSS 0.49505 0.802326
199 LSS 0.49505 0.764045
200 DSZ 0.49505 0.802326
201 N0B 0.491803 0.8
202 AF3 ADP 3PG 0.491071 0.817073
203 NVA LMS 0.490196 0.755556
204 DAT 0.489362 0.881579
205 IMO 0.488889 0.90411
206 ZAS 0.488636 0.792208
207 FDA 0.488372 0.813953
208 NAJ PZO 0.487395 0.85
209 4TA 0.487179 0.788235
210 LPA AMP 0.486486 0.797619
211 LEU LMS 0.485437 0.755556
212 DTP 0.484536 0.881579
213 V3L 0.484536 0.945205
214 S4M 0.483516 0.651685
215 GJV 0.483516 0.731707
216 DZD 0.483051 0.8625
217 2AM 0.482759 0.917808
218 5AD 0.481013 0.726027
219 GSU 0.480769 0.781609
220 KAA 0.480769 0.755556
221 NDE 0.480315 0.907895
222 M24 0.479339 0.851852
223 MAO 0.478261 0.761905
224 NEC 0.477778 0.727273
225 DSH 0.477778 0.707317
226 FAS 0.477273 0.831325
227 FAD 0.477273 0.831325
228 RGT 0.476636 0.933333
229 9K8 0.47619 0.698925
230 G A A A 0.474576 0.85
231 0WD 0.474576 0.897436
232 FNK 0.474074 0.786517
233 5X8 0.473684 0.74359
234 6FA 0.473282 0.821429
235 NDC 0.472868 0.85
236 FB0 0.472868 0.786517
237 YSA 0.472222 0.781609
238 7DD 0.468085 0.958333
239 OVE 0.466667 0.881579
240 MHZ 0.463158 0.701149
241 8PZ 0.462963 0.802326
242 A G 0.462185 0.860759
243 AMP NAD 0.462185 0.881579
244 A3G 0.461538 0.779221
245 NAJ PYZ 0.459677 0.809524
246 6C6 0.459184 0.858974
247 SFG 0.458333 0.730769
248 U A G G 0.458333 0.860759
249 7D7 0.45679 0.723684
250 128 0.45614 0.8
251 SFD 0.455224 0.736842
252 6IA 0.454545 0.817073
253 DDS 0.454545 0.855263
254 GDP 0.454545 0.896104
255 ODP 0.453782 0.886076
256 NJP 0.453782 0.921053
257 7DT 0.453608 0.958333
258 A7D 0.452632 0.75641
259 Z5A 0.452381 0.802326
260 WSA 0.452174 0.790698
261 U A 0.45082 0.884615
262 7C5 0.45045 0.797468
263 FAY 0.449275 0.841463
264 NDP 0.449153 0.897436
265 SA8 0.44898 0.690476
266 A5D 0.44898 0.766234
267 71V 0.446809 0.884615
268 GGZ 0.446602 0.804878
269 RFL 0.446043 0.802326
270 2SA 0.445545 0.907895
271 SAI 0.444444 0.716049
272 GP3 0.444444 0.897436
273 SAH 0.444444 0.725
274 PO4 PO4 A A A A PO4 0.443396 0.878378
275 A A A 0.443396 0.881579
276 4YB 0.442478 0.764045
277 SMM 0.441176 0.670455
278 S7M 0.441176 0.674419
279 GTP 0.441176 0.896104
280 Y3J 0.440476 0.706667
281 SAM 0.44 0.674419
282 649 0.439655 0.747253
283 12D 0.438596 0.809524
284 A3S 0.4375 0.789474
285 NPW 0.436975 0.864198
286 GCP 0.436893 0.873418
287 AAT 0.435644 0.690476
288 GNH 0.435644 0.909091
289 EEM 0.435644 0.674419
290 ETB 0.435484 0.813953
291 DCA 0.435484 0.804598
292 N6P 0.433962 0.890411
293 NZQ 0.433333 0.886076
294 TXP 0.433333 0.897436
295 PGS 0.43299 0.860759
296 APU 0.432203 0.871795
297 PUA 0.432 0.8625
298 62F 0.431655 0.841463
299 F2N 0.431507 0.795455
300 DA 0.430108 0.855263
301 D5M 0.430108 0.855263
302 J7V 0.429688 0.813953
303 NIA 0.428571 0.848101
304 COA 0.428571 0.804598
305 6K6 0.428571 0.905405
306 A3T 0.428571 0.8
307 0T1 0.428571 0.804598
308 P5F 0.427586 0.804598
309 AAM 0.425532 0.944444
310 0UM 0.424528 0.682353
311 8Q2 0.423729 0.775281
312 G1R 0.423077 0.884615
313 AMZ 0.422222 0.891892
314 C2R 0.422222 0.88
315 A U 0.420168 0.848101
316 IDP 0.42 0.894737
317 GSP 0.419048 0.851852
318 30N 0.418605 0.736842
319 CAO 0.418605 0.777778
320 DG1 0.418605 0.897436
321 1DG 0.418605 0.897436
322 COS 0.418605 0.786517
323 AMX 0.418605 0.813953
324 TM1 0.418182 0.797619
325 A6D 0.416667 0.746988
326 K15 0.416667 0.666667
327 V1N 0.415929 0.893333
328 CMX 0.415385 0.804598
329 SCO 0.415385 0.804598
330 GEK 0.415094 0.719512
331 XNP 0.414634 0.851852
332 NHD 0.414634 0.881579
333 9JJ 0.413793 0.841463
334 AIR 0.413793 0.876712
335 COK 0.413534 0.786517
336 G2R 0.412844 0.8625
337 ACO 0.412214 0.777778
338 FAM 0.412214 0.786517
339 FCX 0.412214 0.777778
340 NAP 0.410853 0.92
341 FA9 0.409396 0.843373
342 SXZ 0.409091 0.694118
343 HAX 0.409091 0.806818
344 TAP 0.407692 0.884615
345 2MC 0.407407 0.752688
346 62X 0.407407 0.651685
347 GKE 0.40708 0.8625
348 GDC 0.40708 0.8625
349 GDD 0.40708 0.8625
350 3KK 0.406015 0.786517
351 FYN 0.406015 0.804598
352 NVA 2AD 0.405941 0.740741
353 NA0 0.40458 0.907895
354 101 0.404255 0.855263
355 G 0.40404 0.883117
356 5GP 0.40404 0.883117
357 HDV 0.403846 0.87013
358 MGP 0.403846 0.8625
359 OXK 0.402985 0.786517
360 MCD 0.402985 0.786517
361 CA6 0.402985 0.714286
362 SOP 0.402985 0.786517
363 3AD 0.402299 0.783784
364 S8M 0.401869 0.78481
365 YE1 0.40146 0.795455
366 NMX 0.4 0.782609
367 7RP 0.4 0.902778
368 2VA 0.4 0.779221
369 1VU 0.4 0.777778
370 CO6 0.4 0.786517
371 CMC 0.4 0.786517
372 6G0 0.4 0.8625
373 GMV 0.4 0.873418
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4C2W; Ligand: ANP; Similar sites found with APoc: 439
This union binding pocket(no: 1) in the query (biounit: 4c2w.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5LN8 GAL None
2 1ONI BEZ None
3 4YHQ G10 None
4 3M3E GAL A2G NPO 1.24224
5 6CI9 NAP 1.5444
6 5Z2L NDP 1.63265
7 5C8W PCG 2.0979
8 2EQA AMP 2.15054
9 4B1M FRU FRU 2.16216
10 4RF2 NAP 2.20588
11 2X32 OTP 2.23464
12 1IY8 NAD 2.24719
13 3AFN NAP 2.32558
14 3VX3 ADP 2.41935
15 4B1L FRU 2.42424
16 4Q5M ROC 2.46305
17 3ZS7 ATP 2.50896
18 4DP3 NDP 2.50896
19 4DP3 MMV 2.50896
20 5JNN 6LM 2.63158
21 2XOC ADP 2.68199
22 2ZAT NAP 2.69231
23 2CFC NAD 2.8
24 5EJ2 NAD 2.86738
25 3SJU NDP 2.86738
26 4NFE BEN 2.95359
27 1JG3 ADN 2.97872
28 4NJH SAM 3.04348
29 4NJH 2K8 3.04348
30 1S68 AMP 3.21285
31 5I35 ANP 3.22581
32 2PYW ADP 3.22581
33 4RDL FUC GAL NDG FUC 3.22581
34 3ORQ ADP 3.22581
35 5ZCT ANP 3.58423
36 5OLK DTP 3.58423
37 2B56 U5P 3.84615
38 1PVN MZP 3.84615
39 5W1E PHB 3.84615
40 1SC6 NAD 3.84615
41 2IF8 ADP 3.94265
42 1S16 ANP 3.94265
43 1J3I WRA 3.94265
44 1J3I NDP 3.94265
45 4M7V RAR 4
46 4M7V NAP 4
47 5HP8 PYR 4.03226
48 3PAK MAN 4.05405
49 3W68 4PT 4.13534
50 3VZS NAP 4.28016
51 4GYI ADP 4.30108
52 3ETH ATP 4.30108
53 3KV8 FAH 4.31655
54 3JRS A8S 4.32692
55 4C5N PXL 4.34783
56 2QX0 PH2 4.40252
57 2O66 FLC 4.44444
58 3KDJ A8S 4.45545
59 4I4B 1CV 4.6595
60 4B7X NAP 4.6595
61 5GP0 GPP 4.69799
62 3WVR AMP 5.01792
63 1I7L ATP 5.01792
64 2Q2V NAD 5.09804
65 1RSG FAD 5.37634
66 4EN4 ATP 5.37634
67 4EN4 GT1 5.37634
68 4EN4 GT0 5.37634
69 4KM2 ATR 5.58659
70 1CBK ROI 5.625
71 5C4L 4XR 5.73477
72 5C4L SIS 5.73477
73 3RG9 NDP 5.76923
74 3RG9 WRA 5.76923
75 1EHI ADP 5.76923
76 4M20 COA 5.76923
77 1OX5 1PR 5.76923
78 1AE1 NAP 5.86081
79 2R7K ACP 6.09319
80 2R7K AMZ 6.09319
81 2YRX AMP 6.20843
82 1TMM HHR 6.32911
83 1TMM APC 6.32911
84 1M0W ANP 6.45161
85 1KJ8 GAR 6.45161
86 1KJ8 ATP 6.45161
87 3OCP CMP 6.47482
88 2PUL ACP 6.81004
89 1OBD ATP 6.81004
90 3RK1 ATP 6.81004
91 5ETR APC 6.8323
92 5ETR 5RW 6.8323
93 2QK4 ATP 7.16846
94 4NZN 2OU 7.16846
95 4NZN ANP 7.16846
96 1UPR 4IP 7.31707
97 4CQM NAP 7.37705
98 3ICC NAP 7.45098
99 6CGD AKN 7.52688
100 6CGD GNP 7.52688
101 3HAV ATP 7.52688
102 6G9I CXX 7.52688
103 4N9I PCG 7.61905
104 4OAV ACP 7.69231
105 2VPQ ANP 7.69231
106 4MV1 ADP 7.69231
107 2VQD AP2 7.69231
108 3KJS NAP 7.69231
109 4NZF ARB 7.69231
110 1EDO NAP 8.19672
111 2EIX FAD 8.64198
112 4LO2 GAL BGC 8.84354
113 2GQR ADP 8.86076
114 1MJH ATP 9.25926
115 2V58 LZJ 9.319
116 5ML3 DL3 9.39597
117 5VZ0 ADP 9.61539
118 5C1P DAL DAL 9.61539
119 5C1P ADP 9.61539
120 1Z2P ACP 9.61539
121 1Z2P I3S 9.61539
122 2GQS ADP 9.61539
123 3UG4 AHR 9.61539
124 1ZOA 140 9.61539
125 3VSV XYS 9.61539
126 2AE2 NAP 9.61539
127 2AE2 PTO 9.61539
128 3E85 BSU 10.1266
129 3TDV GDP 10.3943
130 1XEX ATP 11.0465
131 4O4F IHP 11.2903
132 4O4F ATP 11.2903
133 1ZTH ADP 11.5385
134 5OES ADP 11.5385
135 1ZP9 ATP 11.5385
136 3KAL ADP 11.5385
137 5K2M ADP 11.5385
138 4OCJ NDG 11.5385
139 3WO0 ALA 11.5385
140 3WO0 ADP 11.5385
141 4OCV ANP 11.5385
142 3PN1 IVH 11.5385
143 4PU5 ANP 11.5385
144 1N62 FAD 11.5385
145 3TII ANP 11.5385
146 1CKN GTP 11.5385
147 2QS8 MET 11.5385
148 5ABH YWN 11.5385
149 2ABS ACP 11.5385
150 3WXL ADP 11.5385
151 1CKM GTP 11.5385
152 4PIV NDP 11.5385
153 5COU ATP 11.5385
154 3E3U NVC 11.5385
155 4FMJ SIA GAL 11.5385
156 3OJI PYV 11.6402
157 4XMF HSM 12.5
158 4AZW ATP 12.9032
159 4K4D HFQ 13.1387
160 1IOW ADP 13.4615
161 1IOW PHY 13.4615
162 3FSM 2NC 13.4615
163 3B6R CRN 13.4615
164 2CFM AMP 13.4615
165 3W0O ADP 13.4615
166 3W0O HY0 13.4615
167 5DZT AMP 13.4615
168 2BKK ADP 13.4615
169 4ZOH FAD 13.4615
170 2FR6 CTN 13.4615
171 1UI0 URA 13.4615
172 2FR6 URI 13.4615
173 4HXY NDP 13.4615
174 1VBH PEP 13.4615
175 5GZ9 ANP 14.3369
176 4FFG LBS 14.6953
177 5EQY 5RA 15.3846
178 2IO8 ADP 15.3846
179 2HGS ADP 15.3846
180 1IA9 ANP 15.3846
181 3CF6 SP1 15.3846
182 1U6R IOM 15.3846
183 1FFU FAD 15.3846
184 1VRP IOM 15.3846
185 5TT6 ATP 15.3846
186 1E4E ADP 15.3846
187 1ZB6 DIN 15.3846
188 1ZB6 GST 15.3846
189 2Q7D ANP 15.3846
190 6AMI TRP 15.3846
191 4FC7 NAP 15.3846
192 4FC7 COA 15.3846
193 1YBH FAD 15.3846
194 5FS0 5JC 15.3846
195 1P6O HPY 15.3846
196 1AUX AGS 15.4122
197 1PK8 ATP 15.4122
198 6E2B PT7 15.7895
199 4O1P ANP 16.129
200 5KBE IPH 17.0306
201 3VPB ADP 17.3077
202 3VPC ADP 17.3077
203 5CKW ANP 17.3077
204 4U98 ACP 17.3077
205 1GSA ADP 17.3077
206 5TT5 NAD 17.3077
207 3MTX PGT 17.3077
208 5OJI NAP 17.3077
209 5OJI ISN 17.3077
210 4L2I FAD 17.3077
211 3T4L ZEA 17.3077
212 5YK1 ANP 19.2308
213 3VPD ANP 19.2308
214 3K5I AIR 19.2308
215 1T36 ADP 19.2308
216 4R78 AMP 19.2308
217 3ZJX BOG 19.2308
218 5VLQ ANP 19.2308
219 3K5I ADP 19.2308
220 3P7G MAN 19.2308
221 2QF7 AGS 19.2308
222 2GMH UQ5 19.2308
223 3V4S ADP 19.7133
224 3V4S ATP 19.7133
225 4CYI ATP 20.0717
226 4Q5H ANP 21.0526
227 5IM3 DTP 21.1538
228 4TVD BGC 21.1538
229 3TM0 B31 21.1538
230 3TM0 ANP 21.1538
231 5C03 AGS 21.5054
232 4WOV 3SM 21.5054
233 4KU7 PCG 22.8758
234 5MY8 RXZ 22.9391
235 4XZ3 ACP 23.0435
236 5MW8 ATP 23.0769
237 3VOT ADP 23.0769
238 3LQV ADE 23.0769
239 5LXT ACP 23.0769
240 4WW7 AMP 23.0769
241 3I0O ADP 23.0769
242 6E8I PTR 23.0769
243 3DNT ATP 23.0769
244 5G5G FAD 23.0769
245 3A28 NAD 23.0769
246 3VKX T3 23.0769
247 4QYS PLP SEP 23.0769
248 3VHE 42Q 23.2975
249 4XYM A12 23.4783
250 2YW2 ATP 25
251 5VSM MET 25
252 4IX4 ADP 26.5233
253 6FL8 ADP 26.9231
254 6FL8 TIY 26.9231
255 3UDZ ADP 26.9231
256 5TDF ADP 26.9231
257 4YS0 ADP 26.9231
258 5E2N V14 28.1369
259 3KIF GDL 28.3019
260 3KMW ATP 28.7823
261 4PZ6 GMP 28.8462
262 5NJI 8Z2 28.8462
263 4K49 HFQ 28.8462
264 4EIL NDP 28.8462
265 5QIN J2V 29.3907
266 3LXN MI1 30.466
267 4P5Z Q7M 30.466
268 4GJ3 0XP 30.466
269 4XH0 ADP 30.7692
270 3TWO NDP 30.7692
271 1TQP ATP 30.7692
272 3C1X CKK 31.1828
273 4EWH T77 31.2727
274 5EOB 5QQ 31.5412
275 3PP0 03Q 31.5412
276 1BYG STU 31.6547
277 3GNI ATP 31.8996
278 5NKB 8ZT 32.2581
279 2Y6O 1N1 32.6165
280 4BTK DTQ 32.6165
281 3PDT ADP 32.6923
282 4ZS4 ATP 32.6923
283 1TZD ADP 32.6923
284 2R5C C6P 32.6923
285 2R5E QLP 32.6923
286 3UIM ANP 32.9749
287 6GWR FEW 32.9749
288 2XVD AS6 33.3333
289 5HES 032 33.3333
290 4FL3 ANP 33.3333
291 5KO1 6UY 33.3333
292 1U59 STU 33.6918
293 1OPK P16 33.6918
294 5MJA 7O3 33.6918
295 4E1Z 0MX 33.6918
296 2QLU ADE 33.6918
297 1VJY 460 33.6918
298 6GQM F8H 33.6918
299 2CSN CKI 34.0502
300 4TWP AXI 34.3173
301 3LXK MI1 34.4086
302 1OUK 084 34.4086
303 4LOO SB4 34.4086
304 5Y86 HRM 34.4086
305 4U0I 0LI 34.4086
306 1W2D 4IP 34.6154
307 1W2D ADP 34.6154
308 6C1S EFV 34.6154
309 6EZ6 C5Z 34.6154
310 5AE9 OKO 34.6154
311 4FE2 ADP 34.6154
312 3PLS ANP 34.767
313 1U5R ATP 34.767
314 5ZTN CUR 34.767
315 3GC8 B45 34.767
316 4IDT T28 35.1254
317 5LPB ADP 35.1254
318 5LPZ ADP 35.1254
319 2H8H H8H 35.1254
320 5OKT 9XK 35.1254
321 4KBA 1QM 35.1254
322 3SRV S19 35.3791
323 3G5D 1N1 35.4839
324 1JPA ANP 35.4839
325 1CM8 ANP 35.4839
326 5U6C 7YS 35.8423
327 5T8O 76Z 35.8423
328 1Y57 MPZ 35.8423
329 3E8N ATP 35.8423
330 3E8N VRA 35.8423
331 5HCY 60D 35.8423
332 4F4P 0SB 35.8974
333 2HK5 1BM 36.2963
334 4RFM 3P6 36.4662
335 2AQX ATP 36.5385
336 3KRL KRL 36.5591
337 5JGA 6KC 36.5591
338 4AT3 LTI 36.9176
339 4CSV STI 37.4545
340 5EKO N17 37.6344
341 5TO8 7FM 37.6344
342 2X2M X2M 37.9928
343 3VRY B43 37.9928
344 3BU5 ATP 38.3513
345 5JKG 6LF 38.3513
346 3X01 AMP 38.4615
347 5H2U 1N1 38.5768
348 4NST ADP 38.7097
349 1PHK ATP 38.7097
350 3EKK GS2 38.7097
351 2OFV 242 38.9892
352 5EFQ ADP 39.0681
353 5USZ SKE 39.0681
354 4CLI 5P8 39.4265
355 4Y85 499 39.7849
356 2OO8 RAJ 39.7849
357 4Y93 746 40.1434
358 4K33 ACP 40.1434
359 6CZ3 FLJ 40.5303
360 5FBN 5WF 40.5904
361 1IR3 ANP 40.8602
362 2PVF ACP 40.8602
363 5VC5 96M 40.8602
364 4CRL C1I 40.8602
365 3RI1 3RH 40.8602
366 3GQI ACP 41.2186
367 2WU6 DKI 41.2186
368 3BZ3 YAM 41.3043
369 5WO4 B7V 41.5771
370 4AG8 AXI 41.5771
371 5WNL STU 41.5771
372 6C7Y ADP 41.5771
373 5CEO 50D 41.5771
374 4YZC STU 41.5771
375 4ASE AV9 41.5771
376 5UR1 YY9 41.5771
377 1K3A ACP 41.9355
378 2A19 ANP 41.9355
379 3NW7 LGV 42.2939
380 4UXL 5P8 42.2939
381 5DBX ANP 42.2939
382 4YMJ 4EJ 42.6523
383 6FYV 3NG 42.6523
384 5TA6 79D 43.0108
385 3TTI KBI 43.0108
386 3PTG 932 43.0108
387 4WHZ 3NL 43.0108
388 6G33 5ID 43.0108
389 3FC2 IBI 43.0108
390 4WNK 453 43.0108
391 3E7O 35F 43.0108
392 3SXS PP2 43.2836
393 6FYL 3NG 43.3692
394 3ALN ANP 43.7276
395 4NM5 ADP 44.086
396 5X8I SQZ 44.086
397 4IZY 1J2 44.086
398 1O9U ADZ 44.086
399 4E93 GUI 44.086
400 2JLD AG1 44.086
401 6A1G 9OL 44.2308
402 4UX9 ANP 44.4444
403 3ZRM ZRM 44.4444
404 3F7Z 34O 44.4444
405 6ES0 BW8 44.4444
406 3H9R TAK 44.8029
407 3SLS ANP 45.1613
408 4H3Q ANP 45.1613
409 4H3P ANP 45.5197
410 6GIN IR2 45.5197
411 5JFS 6K0 45.5197
412 5N87 N66 45.8781
413 5BVE 4VG 45.8781
414 4BHN BH9 45.8781
415 4QTB 38Z 45.8781
416 6E2O S0L 46.2366
417 2B9F ADP 46.2366
418 3HMO STU 46.2366
419 4L9I 8PR 46.2366
420 5AWM ANP 46.2366
421 4PNI KQQ 46.2366
422 3PVW QRX 46.2366
423 5UKL SIX 46.2366
424 2F57 23D 46.9534
425 1ZY5 ANP 47.3118
426 2B9J ADP 47.3118
427 2B9I ADP 47.3118
428 2B9H ADP 47.3118
429 4QMN DB8 47.3118
430 4I6H 1C8 48.0287
431 5EH0 5NW 48.062
432 3GC0 AMP 48.3871
433 2ZV2 609 48.3871
434 3HZT J60 48.7455
435 2VZ6 FEF 48.7455
436 4AUA 4AU 49.1039
437 6CMJ F6J 49.4624
438 6GU6 1QK 49.8208
439 5HQ0 LZ9 49.8208
Pocket No.: 2; Query (leader) PDB : 4C2W; Ligand: ANP; Similar sites found with APoc: 167
This union binding pocket(no: 2) in the query (biounit: 4c2w.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1XKD NAP 1.79211
2 2IFW ACE PHE LYS PHE PSA LEU AAR 1.94175
3 3A4V PYR 2.15054
4 3A4V NAD 2.15054
5 3I7S PYR 2.15054
6 4BGB ADP 2.50896
7 1YQD NAP 2.50896
8 3W9F I3P 2.69231
9 2C5A GDC 2.86738
10 2C5A NAD 2.86738
11 3JQB NAP 2.86738
12 3JQ9 NAP 2.86738
13 3JQA NAP 2.86738
14 4CM4 NAP 2.86738
15 4CMI NAP 2.86738
16 3JQ7 NAP 2.86738
17 3JQ8 NAP 2.86738
18 3BMN NAP 2.86738
19 4CME NAP 2.86738
20 3JQG NAP 2.86738
21 4CM8 NAP 2.86738
22 5JCJ NAP 2.86738
23 4CM9 NAP 2.86738
24 3BMO NAP 2.86738
25 4CLR NAP 2.86738
26 3JQF NAP 2.86738
27 3BMQ NAP 2.86738
28 4CLO NAP 2.86738
29 5JDC NAP 2.86738
30 5K6A NAP 2.86738
31 5JDI NAP 2.86738
32 2WD7 NAP 2.98507
33 5A96 GTP 3.21285
34 4WOE ADP 3.22581
35 1U8X NAD 3.22581
36 4FDV 0UK 3.34928
37 2WYV NAD 3.44828
38 4K81 GTP 3.48837
39 3WV1 WHH 3.50877
40 1FL2 FAD 3.58423
41 1XDN ATP 3.61011
42 6BC3 COA 3.84615
43 6BC3 SIS 3.84615
44 1HEX NAD 3.94265
45 2E5A LAQ 3.94265
46 1QK3 5GP 4.29185
47 5NMX NAP 4.30108
48 5NMX FAD 4.30108
49 4XTX 590 4.44444
50 1O9J NAD 4.6595
51 4LI4 AMP 5.14706
52 3HQ9 OXL 5.73477
53 2Y5D NAP 5.73477
54 4DFU QUE 5.73477
55 1FLJ GSH 5.76923
56 4MO4 ACP 5.76923
57 1GTE FMN 5.76923
58 1GTE IUR 5.76923
59 2ZCQ B65 5.76923
60 2RDT 2RD 5.76923
61 5O96 SAM 5.76923
62 1MXH NAP 5.7971
63 1MXH DHF 5.7971
64 1WPY BTN 5.95745
65 1GRO ICT 6.09319
66 1NVV GNP 6.09319
67 2OBF SAH 6.45161
68 2OBF F83 6.45161
69 5THQ NDP 6.61765
70 4C2C ALA VAL PRO ALA 7.16846
71 1B1C FMN 7.18232
72 3GE7 AFQ 7.52688
73 1IHU ADP 7.69231
74 1IHU AF3 7.69231
75 3Q9T FAY 7.69231
76 5YJI SAH 7.69231
77 5YJF 8WO 7.69231
78 5YJF SAH 7.69231
79 5A89 FMN 7.69231
80 5A89 ADP 7.69231
81 2P53 NNG 7.69231
82 1H7F C5P 7.69231
83 1P19 IMP 7.69231
84 5FI3 NAP 8.24373
85 1Z2I NAD 8.24373
86 1NY5 ADP 8.60215
87 1AOE GW3 8.85417
88 1AOE NDP 8.85417
89 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR 8.86076
90 2I3G NAP 8.96057
91 4KVX ACO 8.97436
92 5OCG GNP 8.99471
93 5OVK NDP 9.375
94 4BG4 ADP 9.61539
95 1NAA 6FA 9.61539
96 2NVK FAD 9.61539
97 1GQY ACP 9.61539
98 3D04 SAK 9.61539
99 3KJD 78P 9.67742
100 6FA4 GNP 9.82659
101 3MMH SME 10.1796
102 2A8Y MTA 10.3704
103 1M15 ARG 10.7527
104 1M15 ADP 10.7527
105 5EB4 FAD 11.5385
106 1NJR XYL 11.5385
107 3OZG SSI 11.5385
108 3UA1 08Y 11.5385
109 1N62 MCN 11.5385
110 4RHY 3QG 11.5385
111 1VG0 GER 11.5385
112 6AM8 PLT 11.5385
113 2UZI GTP 11.5385
114 2VWT PYR 11.5385
115 5X2N ALA 11.5385
116 3QWB NDP 11.5385
117 5SXS NIZ 11.5385
118 3RNM FAD 12.069
119 4MUS LY0 12.3223
120 4MUS 2D8 12.3223
121 2XVF FAD 12.5448
122 5OCQ CIT 13.4615
123 3B6R ADP 13.4615
124 2V5K OXM 13.4615
125 5EIN NAP 13.4615
126 3GDN FAD 13.4615
127 4GN8 ASO 13.4615
128 1OBB NAD 13.4615
129 4IZC 1GZ 13.4615
130 1VJT NAD 13.4615
131 1BZY IMU 15.3846
132 2OO0 PLP 15.3846
133 1FFU CDP 15.3846
134 5NM7 GLY 15.3846
135 1VRP ADP 15.3846
136 1U6R ADP 15.3846
137 5TZ6 7OD 15.3846
138 4BQS ADP 15.3846
139 2ZKJ ADP 15.3846
140 5X8G S0N 15.3846
141 3QXV MTX 15.3846
142 3T6E UQ9 16.8459
143 1Z0J GTP 16.9492
144 5T2U NAP 17.3077
145 2D4V NAD 17.3077
146 5H5F SAM 17.3077
147 4CS9 AMP 19.2308
148 1T3Q FAD 19.2308
149 5DX8 SFG 19.2308
150 1JQ5 NAD 21.1538
151 2GZ3 NAP 23.0769
152 3HRD FAD 23.0769
153 1RO7 CSF 25
154 2X61 NGA GAL SIA 25
155 2X61 CH 25
156 1V2X SAM 25
157 1IZC PYR 26.9231
158 2QFY AKG 26.9231
159 3WGT FAD 28.8462
160 5E5U MLI 28.8462
161 1NVM NAD 28.8462
162 3WCS MAN NAG GAL 30.7692
163 5WDR GNP 30.7692
164 3TAY MN0 30.7692
165 6AR9 3L4 42.3077
166 3DZD ADP 44.2308
167 4FF8 14S 46.595
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