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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 13 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 10 families.
1 1ID0 - 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 : 1ID0; Ligand: ANP; Similar sites found with APoc: 193
This union binding pocket(no: 1) in the query (biounit: 1id0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 6D28 NEC None
2 5N26 CPT None
3 2D5Z L35 None
4 1R6N 434 None
5 3KPE TM3 None
6 5Y02 HBX None
7 5ET3 60C None
8 2GFD RDA None
9 4WT2 3UD None
10 1JQ9 PHE LEU SER TYR LYS None
11 2D5X L35 None
12 4FC7 NAP None
13 4FC7 COA None
14 5Y02 MXN None
15 4MBY BGC SIA GAL None
16 1CMC SAM None
17 4XCL AGS 1.31579
18 4P6X HCY 1.31579
19 3E70 GDP 1.97368
20 4HBM 0Y7 2.5
21 5C1M OLC 2.63158
22 3E85 BSU 2.63158
23 5NTP 98E 2.63158
24 5Z3I ADE 2.63158
25 5IXK 6EW 2.63158
26 1EWF PC1 2.63158
27 2E2R 2OH 3.28947
28 5ICE SAH 3.28947
29 5ICE 2H4 3.28947
30 3HKW IX6 3.28947
31 3LDW ZOL 3.28947
32 3L9R L9Q 3.28947
33 3L9R L9R 3.28947
34 3KP6 SAL 3.31126
35 5NM7 GLY 3.94737
36 3SFI 3SF 3.94737
37 1ZED PNP 3.94737
38 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 3.94737
39 1XX4 BAM 3.94737
40 3UR0 SVR 3.94737
41 5OF9 ANP 4.60526
42 3LLI FAD 4.60526
43 1GNI OLA 4.60526
44 5UC4 83S 4.60526
45 5EW9 5VC 4.60526
46 3B6C SDN 4.60526
47 2VBQ BSJ 4.60526
48 2H7C COA 4.60526
49 5I8F ML1 4.60526
50 5V4R MGT 4.60526
51 1DKF BMS 4.60526
52 3JUQ AKD 4.60526
53 2WSB NAD 4.60526
54 3JUQ AJD 4.60526
55 3KU0 ADE 4.60526
56 2IOR ADP 5.26316
57 1N1G BCP 5.26316
58 3QCP FAD 5.26316
59 5F1R 42O 5.26316
60 6MPT C30 5.26316
61 2IZ1 ATR 5.26316
62 2QES ADE 5.26316
63 1TMX HGX 5.26316
64 2IZ1 RES 5.26316
65 3UA1 08Y 5.26316
66 2HFP NSI 5.26316
67 5W7B MYR 5.67376
68 4B7P 9UN 5.92105
69 4URN NOV 5.92105
70 4URL XAM 5.92105
71 1YC4 43P 5.92105
72 4WGF HX2 5.92105
73 2YI0 YI0 5.92105
74 4HY1 19X 5.92105
75 1UUY PPI 5.92105
76 3AI3 SOE 5.92105
77 3FWN ATR 5.92105
78 3FWN 6PG 5.92105
79 5AAV GW5 5.92105
80 3W54 RNB 5.92105
81 2QE4 JJ3 5.92105
82 2BJ4 OHT 5.92105
83 1K97 ASP 5.92105
84 1K97 CIR 5.92105
85 4PGK Y69 5.92105
86 1PGP 6PG 5.92105
87 1KOR SIN 6
88 1KOR ARG 6
89 1KOR ANP 6
90 3QLM PLM 6.45161
91 2HKJ RDC 6.57895
92 1B63 ANP 6.57895
93 2OZ5 7XY 6.57895
94 2I0G I0G 6.57895
95 5LXT GTP 6.57895
96 5B4B LP5 6.57895
97 6C90 ADP 6.57895
98 2HZL PYR 6.57895
99 4MNS 2AX 7.23684
100 1SR7 MOF 7.23684
101 4OAR 2S0 7.23684
102 3ZLR X0B 7.23684
103 5IN3 G1P 7.23684
104 1TO9 HMH 7.23684
105 6BR8 6OU 7.23684
106 3LN0 52B 7.23684
107 3EHH ADP 7.89474
108 4B7X NAP 7.89474
109 2WOR 2AN 8
110 5LX9 OLB 8.55263
111 3SCM LGN 8.55263
112 2WPX ACO 8.55263
113 2YPO PHE 8.55263
114 4DO1 ANN 8.55263
115 6ARJ BW4 9.21053
116 6ARJ SAH 9.21053
117 3T58 FAD 9.21053
118 4MRP GSH 9.21053
119 3EHG ATP 9.375
120 3N7S 3N7 9.375
121 1N13 AG2 9.73451
122 3OKI OKI 9.86842
123 4OIV XX9 9.86842
124 3KMZ EQO 9.86842
125 3PMA SCR 9.86842
126 2VWA PTY 9.90099
127 5OCA 9QZ 10.5042
128 3I51 6PL 10.5263
129 5TVI MYR 10.8696
130 2GWH PCI 11.1842
131 1QPR PHT 11.1842
132 3W5N RAM 11.1842
133 2O1V ADP 11.8421
134 3WW2 SF9 11.8421
135 2Z7I 742 11.8421
136 4BAE RWX 12.5
137 4B6C B5U 12.5
138 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 12.5
139 1T3Q FAD 12.5
140 1BGQ RDC 13.1579
141 4OGQ UMQ 13.1579
142 5U3B 7TD 13.1579
143 5HWO HMG 13.1579
144 2Y69 CHD 13.1783
145 1GKZ ADP 13.8158
146 1NF8 BOG 13.8158
147 4GGL CJC 13.8158
148 2P1C GG3 13.8158
149 4EMV 0R9 13.8158
150 4DXJ IPE 13.8158
151 4DXJ 0M9 13.8158
152 3H4L ANP 14.4737
153 4NB5 2JT 14.4737
154 1EM6 NBG 14.4737
155 1S14 NOV 15.1316
156 4HZ0 1AV 15.1316
157 3K60 ADP 15.1316
158 1S16 ANP 15.1316
159 2XCM ADP 15.2174
160 4P8O 883 15.7895
161 3TTZ 07N 15.7895
162 5IDM ANP 17.1053
163 1KIJ NOV 17.1053
164 3QUZ QUV 17.1053
165 5Z84 CHD 17.3469
166 5ZCO TGL 17.3469
167 5ZCO CHD 17.3469
168 1QZR CDX 17.7632
169 4K10 NI9 17.7632
170 1QZR ANP 17.7632
171 2ZKJ ADP 18.4211
172 1Y8O ADP 19.0789
173 4IPE ANP 19.0789
174 3EYK EYK 19.0789
175 4IVG ANP 19.0789
176 1KZN CBN 19.0789
177 2CNT COA 19.0789
178 1LTT GAL BGC 19.5122
179 5J6A P46 19.7368
180 1ZXM ANP 21.0526
181 3KDU NKS 23.0263
182 4URG C2E 23.6842
183 5Y3N 8MF 24.3421
184 1NU4 MLA 28.866
185 5F5R ANP 28.9474
186 4GCZ ADP 30.2632
187 3D36 ADP 31.5789
188 4ZVI 4S4 34.8684
189 4PL9 ADP 38.8158
190 2C2A ADP 40.7895
191 4BIX ADP 41.4474
192 1I58 ACP 43.4211
193 1I58 ADP 43.4211
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