Receptor
PDB id Resolution Class Description Source Keywords
3ALN 2.3 Å EC: 2.7.12.2 CRYSTAL STRUCTURE OF HUMAN NON-PHOSPHORYLATED MKK4 KINASE DO COMPLEXED WITH AMP-PNP HOMO SAPIENS KINASE PROTEIN AMP-PNP COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF MKK4 KINASE DOMAIN REVEAL THA SUBSTRATE PEPTIDE BINDS TO AN ALLOSTERIC SITE AND I AUTO-INHIBITION STATE BIOCHEM.BIOPHYS.RES.COMMUN. V. 400 369 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:1;
B:1;
C:1;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
MG A:406;
B:406;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ALN 2.3 Å EC: 2.7.12.2 CRYSTAL STRUCTURE OF HUMAN NON-PHOSPHORYLATED MKK4 KINASE DO COMPLEXED WITH AMP-PNP HOMO SAPIENS KINASE PROTEIN AMP-PNP COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF MKK4 KINASE DOMAIN REVEAL THA SUBSTRATE PEPTIDE BINDS TO AN ALLOSTERIC SITE AND I AUTO-INHIBITION STATE BIOCHEM.BIOPHYS.RES.COMMUN. V. 400 369 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3ALN - 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 2 families.
1 3ALN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3ALN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 3ZLY ic50 = 300 uM YSO C8 H6 N4 c1cc(c2c(c....
3 3ZLS ic50 = 39.4 uM 92P C9 H8 N2 O2 COC(=O)c1c....
4 3ZLW ic50 = 198 uM MT8 C13 H15 N O2 C[C@]1(CCN....
5 3ZLX ic50 = 157 uM 5EZ C14 H15 Cl N2 O2 c1c2c(cc(c....
6 1S9J - BBM C16 H13 Br F3 I N2 O4 c1cc(c(cc1....
7 3E8N ic50 = 19 nM VRA C19 H20 F3 I N2 O5 S COc1cc(c(c....
8 3EQG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 3ZM4 ic50 = 1.1 uM 22T C13 H13 Cl N2 O2 c1c2c(cc(c....
10 3DV3 - MEK C18 H18 F3 I N2 O5 c1cc(c(cc1....
11 3EQD - AGS C10 H16 N5 O12 P3 S 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 : 3ALN; Ligand: ANP; Similar sites found: 339
This union binding pocket(no: 1) in the query (biounit: 3aln.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CYI ATP 0.00006374 0.48508 1.52905
2 3VPD ANP 0.003337 0.41423 1.52905
3 5MW8 ATP 0.000003631 0.54283 1.83486
4 2PYW ADP 0.000239 0.46081 1.83486
5 4ZS4 ATP 0.000003244 0.54605 1.9544
6 3WVR AMP 0.001037 0.41625 2.14067
7 1IA9 ANP 0.00005514 0.49292 2.14286
8 3PDT ADP 0.00001893 0.53152 2.18182
9 4CC6 L5Y 0.009142 0.42001 2.20126
10 5GZ9 ANP 0.00000000773 0.65714 2.29508
11 2IO8 ADP 0.001366 0.43443 2.44648
12 5C4L 4XR 0.00002394 0.52168 2.49221
13 5C4L SIS 0.0002336 0.4779 2.49221
14 2CDO GAL AAL GAL AAL GAL AAL 0.0143 0.42684 2.5
15 1GSA ADP 0.0006516 0.44639 2.53165
16 4GYI ADP 0.0002401 0.48625 2.75229
17 2HGS ADP 0.001582 0.4299 2.75229
18 3DNT ATP 0.003442 0.41715 2.75229
19 5TDF ADP 0.003743 0.41026 2.75229
20 5XLA SIA 0.02307 0.40664 2.75229
21 1OC2 NAD 0.03187 0.40391 2.75229
22 3AKK ADP 0.003019 0.41025 2.76923
23 1I7L ATP 0.003417 0.41729 2.91262
24 2PUL ACP 0.00009258 0.45958 3.0581
25 3WO0 ALA 0.004359 0.42891 3.0581
26 2VPQ ANP 0.003822 0.41349 3.0581
27 3O8M BGC 0.01312 0.40794 3.0581
28 4Y9T PA1 0.02189 0.40697 3.0581
29 3ETH ATP 0.006587 0.40164 3.0581
30 3OJF IMJ 0.01673 0.40716 3.11284
31 3TDV GDP 0.00005982 0.47455 3.26797
32 4ANW O92 0.003 0.43014 3.36391
33 2IF8 ADP 0.0005298 0.40299 3.36391
34 3KA2 2NC 0.007499 0.42943 3.44828
35 4OCJ NDG 0.0006171 0.46739 3.66972
36 1ZTH ADP 0.000009781 0.47264 3.87597
37 1ZP9 ATP 0.00004564 0.46498 3.87597
38 4OCV ANP 0.0005639 0.44118 3.97554
39 4C5N ACP 0.007663 0.41323 3.98551
40 4C5N PXL 0.008144 0.41323 3.98551
41 5IGI GMP 0.0026 0.43792 3.98671
42 5IGI ZIT 0.002759 0.43792 3.98671
43 2GQR ADP 0.002551 0.40541 4.21941
44 3VPC ADP 0.001843 0.41748 4.25532
45 2VQD AP2 0.001568 0.42625 4.58716
46 2GQS ADP 0.002073 0.40866 4.64135
47 2XEM SSV 0.0159 0.40387 4.66667
48 1AUX AGS 0.003085 0.42121 4.82315
49 4XMF HSM 0.002318 0.47249 4.8913
50 3ORQ ADP 0.004092 0.40862 4.89297
51 1S14 NOV 0.0167 0.41129 5.15464
52 5MRH Q9Z 0.01201 0.41408 5.19878
53 3RE4 TO1 0.00005113 0.44683 5.42636
54 5IQD GNP 0.0007382 0.46261 5.57377
55 5IQD RIO 0.0007867 0.46261 5.57377
56 1W2D 4IP 0.008465 0.40617 5.66038
57 1PK8 ATP 0.003998 0.41598 5.6872
58 2CFM AMP 0.007282 0.4204 5.8104
59 5W2I I3P 0.001143 0.43777 6.22568
60 5W2I ADP 0.001143 0.43777 6.22568
61 2BKK ADP 0.001884 0.40268 6.50888
62 4OUC 5ID 0.000006807 0.5008 6.72269
63 5I35 ANP 0.000001745 0.57173 6.72783
64 4Q5H ANP 0.0000403 0.50437 6.72783
65 3UDZ ADP 0.000002038 0.54088 7.03364
66 3W0O ADP 0.001829 0.4369 7.03364
67 4LRJ ANP 0.0000005061 0.55009 7.10059
68 4AXD ANP 0.00001779 0.53713 7.33945
69 5K2M ADP 0.002492 0.42319 7.54717
70 1TQP ATP 0.00003944 0.50068 8.15603
71 1UNQ 4IP 0.0178 0.41145 9.6
72 4R78 AMP 0.0002932 0.49433 9.78593
73 1RZ1 NAD 0.008191 0.42945 10.559
74 2AQX ATP 0.001546 0.42846 11.0727
75 3X01 AMP 0.001424 0.4678 11.6208
76 4AZW ATP 0.002359 0.41874 11.9266
77 3VPB ADP 0.000868 0.41505 12.5
78 3HAV ATP 0.001874 0.43186 13.3779
79 4G17 0VN 0.00001979 0.48127 13.4557
80 3ZJX BOG 0.00003484 0.5538 13.8408
81 4Y0X ADP 0.000001797 0.51841 14.0673
82 2PZI AXX 0.00005491 0.51654 14.0673
83 1E4E ADP 0.004844 0.40222 14.6789
84 4WW7 AMP 0.000139 0.47297 14.9733
85 5CKW ANP 0.0001567 0.43531 14.9847
86 1Q8Y ADP 0.0000000183 0.63484 16.208
87 1Q8Y ADE 0.000002313 0.48487 16.208
88 3KMW ATP 0.00003652 0.47695 16.2791
89 2CSN CKI 0.000000006092 0.6704 17.1717
90 5MY8 RXZ 0.000001176 0.56873 17.4312
91 5DMZ ADP 0.0000001902 0.607 17.737
92 4F9C 0SX 0.0000004049 0.55384 17.737
93 4JR7 GNP 0.00000005986 0.59601 18.0428
94 2ZV2 609 0.000001686 0.59657 20.4698
95 5C03 AGS 0.000001043 0.5744 21.1009
96 3ORK AGS 0.000000001978 0.68869 21.2219
97 4IX4 ADP 0.0003698 0.45279 21.4067
98 4WOV 3SM 0.000001851 0.58614 21.7666
99 4I94 ANP 0.0000004396 0.54904 22.3333
100 4X7Q 3YR 0.000001027 0.57469 22.4359
101 2QLU ADE 0.000002957 0.62121 22.6115
102 3Q60 ATP 0.0000004421 0.54933 24.7706
103 4Y85 499 0.000001096 0.58085 25.3823
104 5KO1 6UY 0.000001058 0.58154 25.4417
105 3LQV ADE 0.01266 0.41427 25.641
106 4N70 2HX 0.0000006589 0.61571 25.6881
107 4XH0 ADP 0.0000003654 0.65738 26.2997
108 3CY2 MB9 0.000005543 0.51256 26.4331
109 4OAV ACP 0.00000003028 0.59394 27.8287
110 3H9R TAK 0.000002587 0.47647 28.4404
111 3GC0 AMP 0.000007437 0.49333 28.5714
112 4FF8 14S 0.00003721 0.44979 28.7926
113 4BKJ STI 0.003387 0.4191 28.8889
114 4OH4 ANP 0.0000000008852 0.70991 29.052
115 5LPZ ADP 0.00000000311 0.68583 29.052
116 5UIU 8CG 0.00000001143 0.66625 29.4118
117 3TXO 07U 0.000001713 0.51893 30.2752
118 4WB6 ATP 0.000000004771 0.67501 30.581
119 5X8I SQZ 0.00000005639 0.6303 30.581
120 2WU6 DKI 0.000000005186 0.6297 30.581
121 4O1P ANP 0.00000001073 0.6233 30.581
122 2GU8 796 0.0000001819 0.64987 30.8869
123 3VRY B43 0.0000001924 0.54328 30.8869
124 4BTK DTQ 0.000005432 0.51423 30.8869
125 4WB7 ATP 0.00000004835 0.49506 30.8869
126 2QCS ANP 0.000000001838 0.69302 31.1927
127 3IDB ANP 0.00000003234 0.63055 31.1927
128 1RE8 BD2 0.0000003013 0.62862 31.1927
129 5U6C 7YS 0.00000008575 0.59417 31.4286
130 3FHI ANP 0.000000001753 0.69391 31.4985
131 5LI1 ANP 0.00000001516 0.64153 31.4985
132 5EFQ ADP 0.00000007123 0.59201 31.8043
133 5LPB ADP 0.00000000389 0.58988 32.0946
134 3LXK MI1 0.0000002707 0.60116 32.1101
135 4M69 ANP 0.000000002847 0.669 32.2684
136 5T8O 76Z 0.0000002505 0.58679 32.3782
137 4Y8D 49J 0.000005921 0.54111 32.4159
138 4NFN 2KC 0.00002394 0.52042 32.6861
139 4OTH DRN 0.0000003322 0.57046 32.7217
140 5AWM ANP 0.00000002251 0.68738 33.0275
141 4E93 GUI 0.000000007846 0.67825 33.0275
142 4UAL 3FV 0.0000003534 0.56464 33.0275
143 1VJY 460 0.00000000373 0.69261 33.3333
144 1XJD STU 0.000001065 0.56694 33.3333
145 5HX8 66P 0.0000001691 0.54519 33.4437
146 4IJP 1EH 0.000000442 0.57637 33.6391
147 1V0O INR 0.0000001654 0.58669 33.6806
148 5M06 ADP 0.00000007057 0.64363 33.6957
149 4AT3 LTI 0.00001947 0.4475 33.7793
150 5BYZ 4WE 0.000002459 0.47634 33.945
151 4CLI 5P8 0.0000001816 0.6357 34.2508
152 3NW7 LGV 0.000002641 0.585 34.5277
153 4IDT T28 0.00000001147 0.61468 34.5566
154 5LXC 7AA 0.00000006793 0.57246 34.5566
155 2OFV 242 0.000009203 0.54694 35.0181
156 3AQV TAK 0.001177 0.42012 35.1449
157 1U59 STU 0.0000007547 0.55246 35.1916
158 1K3A ACP 0.00000005442 0.565 35.4515
159 4BFM ANP 0.00000006896 0.61048 35.474
160 3FHR P4O 0.000002405 0.55167 35.474
161 5IH9 6BF 0.00004499 0.51596 35.474
162 3C1X CKK 0.0003212 0.4575 35.474
163 3KRR DQX 0.0000001113 0.66851 35.5932
164 4EUU BX7 0.000002434 0.55733 35.7367
165 3TTI KBI 0.000000005679 0.58206 35.7798
166 5UKL SIX 0.0000023 0.56059 35.7798
167 3PVW QRX 0.000001901 0.50121 35.7798
168 3PTG 932 0.00002145 0.46596 35.7798
169 4WHZ 3NL 0.00000003751 0.44131 35.7798
170 2Z7R STU 0.00000006324 0.60008 35.8255
171 2A19 ANP 0.0000002881 0.63374 35.9155
172 3OCP CMP 0.01391 0.40672 35.9712
173 2X2M X2M 0.0000002542 0.58944 36.3057
174 5EOB 5QQ 0.000004248 0.5841 36.6771
175 4YMJ 4EJ 0.0000008322 0.63785 36.6972
176 2H8H H8H 0.000000006064 0.6324 36.6972
177 1Y57 MPZ 0.00000009836 0.60988 36.6972
178 4NW6 2NS 0.00000001715 0.53144 36.8421
179 5W4W 9WG 0.000008777 0.54097 37.0031
180 4KBA 1QM 0.0001341 0.43213 37.0031
181 4YZC STU 0.0000003473 0.61275 37.3089
182 3DLS ADP 0.00001101 0.49212 37.3089
183 3VHE 42Q 0.00000151 0.57279 37.3259
184 2HK5 1BM 0.000005536 0.52995 37.4074
185 2PVN P63 0.0000000416 0.54696 37.5
186 5HES 032 0.000005296 0.53334 37.785
187 3M2W L8I 0.0000006045 0.53171 37.7926
188 2XK9 XK9 0.000000007458 0.68591 37.8882
189 4FL3 ANP 0.0000000007548 0.67721 37.9205
190 4UX9 ANP 0.000000001987 0.67561 37.9205
191 4IZY 1J2 0.000001681 0.55184 37.9205
192 5TA6 79D 0.000001463 0.50129 37.9205
193 5HCY 60D 0.000000008066 0.69792 38.2263
194 5EKO N17 0.0004544 0.45309 38.2263
195 2JDR L20 0.0000003127 0.4025 38.2263
196 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0000003127 0.4025 38.2263
197 5LVP ATP 0.00000008236 0.55818 38.2637
198 3OFM 4B0 0.000008706 0.48156 38.2857
199 3UIM ANP 0.000000002953 0.64782 38.3436
200 5HVJ ANP 0.000007653 0.58432 38.4127
201 4L3L 5FI 0.00002979 0.51572 38.4868
202 3PP0 03Q 0.0000002265 0.53189 38.5321
203 3MVH WFE 0.0000003884 0.59878 38.8379
204 2YAB AMP 0.0000008901 0.55715 38.8379
205 3GC8 B45 0.000001442 0.54393 38.8379
206 3IGO ANP 0.000001577 0.54165 38.8379
207 2WEL K88 0.000002885 0.45668 38.8379
208 4I6H 1C8 0.000003135 0.5533 38.961
209 2R5T ANP 0.00000003703 0.62503 39.1437
210 1OUK 084 0.00002866 0.57562 39.1437
211 4ASE AV9 0.000008557 0.53567 39.1437
212 4LOO SB4 0.00004217 0.478 39.1437
213 4P5Z Q7M 0.000005099 0.42876 39.1437
214 3E7O 35F 0.0001401 0.40948 39.1437
215 3PLS ANP 0.000000006576 0.62208 39.2617
216 5JFS 6K0 0.000001406 0.59027 39.2857
217 5JGA 6KC 0.000000198 0.49607 39.3651
218 4U0I 0LI 0.0003933 0.46788 39.3651
219 2RIO ADP 0.000000001053 0.65321 39.4495
220 2B9J ADP 0.0000002251 0.61186 39.4495
221 1U5R ATP 0.00000002059 0.60303 39.4495
222 2B9I ADP 0.0000003159 0.59728 39.4495
223 2B9F ADP 0.00000008022 0.5893 39.4495
224 2B9H ADP 0.0000001384 0.58884 39.4495
225 3LXN MI1 0.00000001857 0.63457 39.6226
226 3KN5 ANP 0.000004744 0.50178 39.6923
227 1JPA ANP 0.00000006427 0.4149 39.7436
228 3GNI ATP 0.000000003063 0.66767 39.7554
229 3HMO STU 0.0000005841 0.59317 39.7554
230 4WNK 453 0.0000006246 0.58969 39.7554
231 5LI9 ACP 0.0000006497 0.57621 39.7554
232 4BHN BH9 0.0000004558 0.5758 39.7554
233 1CM8 ANP 0.0000001715 0.56754 39.7554
234 3KRL KRL 0.0000371 0.49738 39.7554
235 3HZT J60 0.00002301 0.46197 39.7554
236 3PE2 E1B 0.00001434 0.551 39.7626
237 5VCV 1N1 0.000000004352 0.6181 39.8714
238 3GQI ACP 0.00000001555 0.61861 39.8773
239 4QTB 38Z 0.00000001225 0.66245 40.0612
240 3C0G 3AM 0.000003007 0.57617 40.0612
241 4NST ADP 0.0000000529 0.59688 40.367
242 4L9I 8PR 0.000008471 0.54077 40.367
243 1OPK P16 0.0003856 0.40113 40.367
244 4H3Q ANP 0.0000000002859 0.7184 40.6728
245 5BVE 4VG 0.0000001376 0.66176 40.6728
246 2F2U M77 0.000004905 0.57411 40.6728
247 2PVF ACP 0.0000001459 0.57053 40.6728
248 4CRL C1I 0.000002751 0.45668 40.6728
249 5JZJ AN2 0.000000001123 0.71572 40.7407
250 4AG8 AXI 0.00002 0.41941 40.8228
251 5JKG 6LF 0.00001876 0.53608 40.836
252 3TKI S25 0.000002411 0.59451 40.8669
253 4FG8 ATP 0.00000004619 0.61784 40.9524
254 4H3P ANP 0.000000001626 0.65778 40.9786
255 2HY0 306 0.000008051 0.55595 40.9938
256 2XVD AS6 0.0000003201 0.60027 41.0596
257 3SXF BK5 0.000002966 0.56732 41.2844
258 3V8S 0HD 0.0000005356 0.54503 41.2844
259 5NKB 8ZT 0.000005907 0.41408 41.5033
260 2VZ6 FEF 0.0000001342 0.64 41.5335
261 5N87 N66 0.000001274 0.46008 41.5335
262 4K33 ACP 0.00000004468 0.60935 41.5385
263 2V7O DRN 0.0000006878 0.50013 41.5902
264 4DC2 ADE 0.000001867 0.44718 41.5902
265 2WQN ADP 0.00000004035 0.66467 41.6129
266 5MJA 7O3 0.000004411 0.49789 41.6393
267 5CEO 50D 0.0000001866 0.57259 41.6667
268 3EKK GS2 0.0000006858 0.45878 41.6938
269 4GJ3 0XP 0.00000005239 0.6394 41.7219
270 2BPM 529 0.0000002952 0.42901 41.7476
271 4XV1 904 0.00000778 0.54686 41.7808
272 5UR1 YY9 0.0000574 0.51945 41.8006
273 3BU5 ATP 0.000000006915 0.63153 41.8301
274 4Y93 746 0.0000002646 0.54277 41.896
275 3G5D 1N1 0.0000009811 0.6153 41.958
276 4AUA 4AU 0.00003582 0.51252 42.0195
277 4EWH T77 0.000000232 0.52629 42.1818
278 2VN9 GVD 0.0000002574 0.51831 42.1927
279 4YLL 4E3 0.0000002852 0.5901 42.2018
280 5USZ SKE 0.00000001649 0.56935 42.2145
281 5DRB 5FJ 0.00000139 0.42031 42.268
282 1UNH IXM 0.0000001005 0.55663 42.4658
283 3O0G 3O0 0.0000003955 0.55215 42.4658
284 3RI1 3RH 0.000006248 0.53954 42.492
285 4CFU 2WC 0.00000004049 0.65477 42.5743
286 4E1Z 0MX 0.000001247 0.53769 42.6117
287 2Y6O 1N1 0.000009047 0.52345 42.6117
288 5HQ0 LZ9 0.00000004592 0.61795 42.7152
289 1O9U ADZ 0.0000009329 0.64811 42.8135
290 4WNP 3RJ 0.0000002903 0.62416 42.8571
291 4BCQ TJF 0.0000007653 0.51661 42.8571
292 4BCM T7Z 0.000009345 0.45993 42.8571
293 4AU8 Z3R 0.000002021 0.59277 42.9054
294 5TO8 7FM 0.00003839 0.52342 42.9078
295 4BCN T9N 0.00000005058 0.66003 43
296 4U44 3D9 0.0000009225 0.54673 43.0723
297 4JDI ANP 0.00000004289 0.6192 43.1193
298 2XMY CDK 0.0000002877 0.64982 43.2886
299 3F7Z 34O 0.000001879 0.53596 43.4251
300 4NM5 ADP 0.00000336 0.51945 43.4251
301 3ZRM ZRM 0.00001506 0.49828 43.4251
302 2JLD AG1 0.0000002248 0.4954 43.4251
303 5LMK 6ZK 0.0000005687 0.54158 43.4343
304 5EYK 5U5 0.000003837 0.48593 43.4783
305 4C2V YJA 0.00005046 0.50563 43.5088
306 4C2W ANP 0.0000000764 0.55101 43.7276
307 4CQE CQE 0.0002345 0.45351 43.8849
308 4YZN 4K5 0.00000001502 0.61358 43.9024
309 5VC5 96M 0.00000007751 0.62488 43.9446
310 4XLI 1N1 0.00004801 0.50678 44.0299
311 1ZY5 ANP 0.00002456 0.48107 44.2244
312 1PHK ATP 0.000000001794 0.66718 44.2953
313 5H2U 1N1 0.0000007017 0.58199 44.5693
314 2WEI VGG 0.0000008557 0.52787 44.5993
315 5DA3 58V 0.000000001029 0.75229 44.9057
316 2YAK OSV 0.000001126 0.5784 44.9123
317 4CSV STI 0.0007906 0.42379 45.0909
318 1BYG STU 0.00000001804 0.59758 45.3237
319 4KS7 X4Z 0.000003728 0.5182 45.5479
320 2F57 23D 0.000001523 0.52085 45.7413
321 4D2S DYK 0.000001726 0.51048 45.7746
322 3SRV S19 0.0000000036 0.63098 45.8484
323 5A6N U7E 0.0000007355 0.55869 46.2898
324 5DBX ANP 0.00000005716 0.56207 46.4832
325 4F4P 0SB 0.0000003798 0.6384 46.5201
326 4A4X JUP 0.00000466 0.54507 46.595
327 5AX9 4KT 0.0000000455 0.63441 47.0779
328 5UOX 8GY 0.0000008092 0.5545 47.6015
329 2X4Z X4Z 0.00001811 0.53213 47.6351
330 5L8L ADP 0.00000004722 0.67179 48.0702
331 5G1X ADP 0.00000002205 0.65738 48.0702
332 3SXS PP2 0.0000004943 0.57431 48.1343
333 5FBN 5WF 0.0000001601 0.6241 48.3395
334 5LXM ADP 0.00000002278 0.65675 48.4099
335 5DH3 5BS 0.00000113 0.55913 48.8889
336 3DAK ANP 0.00000002257 0.58922 48.9655
337 3E5A VX6 0.000005213 0.49884 49.2537
338 4QMN DB8 0.000003655 0.44035 49.3548
339 5EW9 5VC 0.000005089 0.61344 49.4465
Pocket No.: 2; Query (leader) PDB : 3ALN; Ligand: ANP; Similar sites found: 32
This union binding pocket(no: 2) in the query (biounit: 3aln.bio3) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1IOW PHY 0.005494 0.44406 1.63399
2 4PZ6 GMP 0.002181 0.40184 2.48139
3 2V3A FAD 0.03434 0.40814 2.75229
4 4E5N NAD 0.02764 0.40697 2.75229
5 1XHC FAD 0.03982 0.40287 2.99728
6 4I54 1C1 0.002897 0.45434 3.0581
7 2Q37 3AL 0.01657 0.40251 3.31492
8 2R7K AMZ 0.01994 0.40942 3.36391
9 3I0O ADP 0.00128 0.44291 3.66972
10 3TII ANP 0.004414 0.41782 4.58716
11 3HY3 10F 0.02259 0.40117 4.92611
12 3ZS7 ATP 0.01549 0.40774 5
13 5FI4 5XV 0.007427 0.42509 5.19878
14 2V3B FAD 0.03649 0.40581 5.45455
15 5XDT ZI7 0.01068 0.42172 5.50459
16 5DXT 5H5 0.01484 0.40355 5.50459
17 5A5W GUO 0.02904 0.41289 5.5336
18 5C1P DAL DAL 0.01274 0.41502 5.88235
19 5C1P ADP 0.006815 0.41144 5.88235
20 1SL3 170 0.009844 0.41744 6.27178
21 5U98 1KX 0.02736 0.42659 7.07071
22 1M0W ANP 0.005946 0.41655 7.95107
23 4CNG SAH 0.01897 0.40919 8.23529
24 1K97 CIR 0.03025 0.41009 8.25688
25 1K97 ASP 0.03025 0.41009 8.25688
26 1IHU AF3 0.0198 0.40089 8.25688
27 1IHU ADP 0.02221 0.40001 8.25688
28 5VZ0 ADP 0.002274 0.43864 8.8685
29 5COU ATP 0.004123 0.42632 14.3731
30 4XYM A12 0.01311 0.40617 16.9565
31 2OO8 RAJ 0.0004507 0.48109 41.0095
32 5DEY 59T 0.0000003733 0.41962 46.4646
Pocket No.: 3; Query (leader) PDB : 3ALN; Ligand: ANP; Similar sites found: 40
This union binding pocket(no: 3) in the query (biounit: 3aln.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5JLB SAH 0.005856 0.40665 1.79211
2 3V4S ATP 0.002695 0.42972 2.14067
3 4YNM SAM 0.005597 0.40961 2.21239
4 4JWH SAH 0.01259 0.40398 2.23642
5 4OUJ LBT 0.0166 0.40863 2.28013
6 5T96 79J 0.01178 0.41476 2.44648
7 4DFU QUE 0.01887 0.40304 2.48447
8 5ML3 DL3 0.01336 0.41637 2.68456
9 4LO2 GAL BGC 0.009924 0.43371 3.04054
10 1EHI ADP 0.001557 0.43656 3.0581
11 1U72 NDP 0.04584 0.4016 3.22581
12 1U72 MTX 0.04584 0.4016 3.22581
13 3MTX PGT 0.01074 0.41528 3.31126
14 3NZ1 3NY 0.006507 0.43353 3.83142
15 3OOI SAM 0.005923 0.41237 4.31034
16 1T36 ADP 0.01038 0.41077 5.19878
17 3GDN HBX 0.04799 0.40058 5.50459
18 1W2D ADP 0.004724 0.40091 5.66038
19 1S9D AFB 0.003717 0.42847 6.09756
20 4FJU GLV 0.01763 0.40503 6.11621
21 3RG9 NDP 0.02062 0.40619 6.25
22 3RG9 WRA 0.02383 0.40611 6.25
23 1D6H COA 0.03552 0.40193 6.42202
24 3K5I ADP 0.001935 0.41031 6.45161
25 4J7Q B7N 0.01585 0.41065 6.72783
26 3VOT ADP 0.0002653 0.44505 7.03364
27 4FHD 0TT 0.009981 0.4168 7.03364
28 4FHD EEM 0.009981 0.4168 7.03364
29 5L2J 6UL 0.04732 0.4072 7.14286
30 5L2J 70E 0.04975 0.4072 7.14286
31 2R3A SAM 0.007749 0.40329 7.95107
32 4U98 ACP 0.002128 0.42615 8.25688
33 2AQJ TRP 0.04859 0.40422 8.56269
34 5BWD FUM 0.02105 0.40181 9.48012
35 1OBD ATP 0.001765 0.41867 9.80392
36 4YEF 4CQ 0.01645 0.40647 10.1124
37 2RIF AMP 0.005631 0.41133 10.6383
38 4AZT LY2 0.000302 0.44352 11.9266
39 3E2M E2M 0.02147 0.41976 21.6216
40 4G31 0WH 0.00002944 0.40222 35.4515
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