Receptor
PDB id Resolution Class Description Source Keywords
1ID0 1.6 Å EC: 2.7.1.37 CRYSTAL STRUCTURE OF THE NUCLEOTIDE BOND CONFORMATION OF PHO DOMAIN ESCHERICHIA COLI HISTIDINE KINASE PHOQ/PHOP SIGNAL TRANSDUCTION TRANSFERAS
Ref.: STRUCTURAL AND MUTATIONAL ANALYSIS OF THE PHOQ HIST KINASE CATALYTIC DOMAIN. INSIGHT INTO THE REACTION MECHANISM. J.BIOL.CHEM. V. 276 41182 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:487;
Valid;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
MG A:700;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ID0 1.6 Å EC: 2.7.1.37 CRYSTAL STRUCTURE OF THE NUCLEOTIDE BOND CONFORMATION OF PHO DOMAIN ESCHERICHIA COLI HISTIDINE KINASE PHOQ/PHOP SIGNAL TRANSDUCTION TRANSFERAS
Ref.: STRUCTURAL AND MUTATIONAL ANALYSIS OF THE PHOQ HIST KINASE CATALYTIC DOMAIN. INSIGHT INTO THE REACTION MECHANISM. J.BIOL.CHEM. V. 276 41182 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1ID0 - 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 15 families.
1 1ID0 - 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 12 families.
1 1ID0 - 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 : 1ID0; Ligand: ANP; Similar sites found: 94
This union binding pocket(no: 1) in the query (biounit: 1id0.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QY8 RDI 0.0002279 0.48019 None
2 2D5Z L35 0.02913 0.43072 None
3 4FC7 COA 0.03871 0.40548 None
4 1CMC SAM 0.02308 0.40124 None
5 4XCL AGS 0.00006799 0.45428 1.31579
6 4P6X HCY 0.01239 0.42085 1.31579
7 4ZOM 4Q3 0.03334 0.42544 2.63158
8 2E2R 2OH 0.005718 0.43997 3.28947
9 3LDW ZOL 0.02315 0.40612 3.28947
10 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.01107 0.41887 3.94737
11 3WYJ H78 0.04383 0.41507 3.94737
12 1XX4 BAM 0.03016 0.40647 3.94737
13 1GNI OLA 0.02494 0.46272 4.60526
14 5EW9 5VC 0.03257 0.43614 4.60526
15 3B6C SDN 0.00375 0.43379 4.60526
16 3NMQ 7PP 0.002886 0.41731 4.60526
17 5V4R MGT 0.01671 0.41095 4.60526
18 2WSB NAD 0.04034 0.40285 4.60526
19 3KU0 ADE 0.02045 0.40086 4.60526
20 5KAU RHQ 0.01026 0.40724 4.84848
21 2IOR ADP 0.00008463 0.5154 5.26316
22 2QES ADE 0.01686 0.40675 5.26316
23 4B7P 9UN 0.0009769 0.48966 5.92105
24 4URN NOV 0.0008647 0.46539 5.92105
25 1YC4 43P 0.0005387 0.45766 5.92105
26 4WGF HX2 0.003065 0.44924 5.92105
27 4HY1 19X 0.001488 0.43746 5.92105
28 1UUY PPI 0.003818 0.43132 5.92105
29 3FWN ATR 0.0133 0.42157 5.92105
30 3FWN 6PG 0.005762 0.42095 5.92105
31 5AAV GW5 0.03004 0.41883 5.92105
32 1B63 ANP 0.00003722 0.44645 6.57895
33 2HKJ RDC 0.00001134 0.437 6.57895
34 2I0G I0G 0.02548 0.41974 6.57895
35 5B4B LP5 0.01198 0.41788 6.57895
36 4MNS 2AX 0.007442 0.44601 7.23684
37 1SR7 MOF 0.004915 0.43958 7.23684
38 2WOR 2AN 0.002058 0.45658 8
39 5IR4 ZPE 0.01832 0.42144 9.21053
40 3EHG ATP 0.001363 0.4392 9.375
41 3N7S 3N7 0.01011 0.42282 9.375
42 3PMA SCR 0.01659 0.40343 9.86842
43 2VWA PTY 0.01855 0.40279 9.90099
44 5OCA 9QZ 0.0227 0.41532 10.5042
45 1QPR PHT 0.01165 0.41635 11.1842
46 2O1V ADP 0.000002709 0.55397 11.8421
47 4BAE RWX 0.0002823 0.46382 12.5
48 4B6C B5U 0.0005531 0.42629 12.5
49 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.03602 0.40295 12.5
50 5U3B 7TD 0.01067 0.42037 13.1579
51 1BGQ RDC 0.0001584 0.40376 13.1579
52 1GKZ ADP 0.00000184 0.51873 13.8158
53 1NF8 BOG 0.01135 0.41852 13.8158
54 4GGL CJC 0.005172 0.4072 13.8158
55 2P1C GG3 0.02058 0.40626 13.8158
56 4EMV 0R9 0.002017 0.40533 13.8158
57 4DXJ IPE 0.0264 0.40326 13.8158
58 4DXJ 0M9 0.02719 0.40025 13.8158
59 3H4L ANP 0.00004134 0.52472 14.4737
60 1EM6 NBG 0.04073 0.40433 14.4737
61 1S14 NOV 0.00009186 0.51363 15.1316
62 3K60 ADP 0.00025 0.49209 15.1316
63 1S16 ANP 0.00002415 0.45106 15.1316
64 4HZ0 1AV 0.0001461 0.42546 15.1316
65 2XCM ADP 0.0003945 0.45452 15.2174
66 4P8O 883 0.0006684 0.43995 15.7895
67 3TTZ 07N 0.002588 0.42644 15.7895
68 5IDM ANP 0.000004661 0.56161 17.1053
69 1KIJ NOV 0.0003214 0.42766 17.1053
70 1QZR CDX 0.0007962 0.50882 17.7632
71 1QZR ANP 0.0001679 0.50372 17.7632
72 4K10 NI9 0.001531 0.45114 17.7632
73 2ZKJ ADP 0.000001208 0.40571 18.4211
74 1Y8O ADP 0.0000008105 0.5958 19.0789
75 1KZN CBN 0.0003777 0.47474 19.0789
76 3EYK EYK 0.002755 0.45615 19.0789
77 4IVG ANP 0.0002329 0.42135 19.0789
78 4IPE ANP 0.0001744 0.41929 19.0789
79 2CNT COA 0.01579 0.40502 19.0789
80 1LTT GAL BGC 0.02358 0.40788 19.5122
81 1ZXM ANP 0.0001636 0.40754 21.0526
82 3KDU NKS 0.02814 0.41594 23.0263
83 4URG C2E 0.006945 0.42639 23.6842
84 5Y3N 8MF 0.003289 0.42633 24.3421
85 5F5R ANP 0.00001065 0.52041 28.9474
86 3A0T ADP 0.00004891 0.51647 28.9474
87 4GCZ ADP 0.000001459 0.53439 30.2632
88 3D36 ADP 0.000009513 0.49471 31.5789
89 4ZVI 4S4 0.00009061 0.4613 34.8684
90 4PL9 ADP 0.00000182 0.57082 38.8158
91 2C2A ADP 0.000002742 0.52567 40.7895
92 4BIX ADP 0.000000003283 0.64111 41.4474
93 1I58 ADP 0.00005682 0.49178 43.4211
94 1I58 ACP 0.00005592 0.45185 43.4211
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