Receptor
PDB id Resolution Class Description Source Keywords
6E0O 1.25 Å EC: 2.-.-.- STRUCTURE OF ELIZABETHKINGIA MENINGOSEPTICA CDNE CYCLIC DINU SYNTHASE WITH PPPA[3'-5']PA ELIZABETHKINGIA MENINGOSEPTICA ATCC 13NBRC 12535 CGAS DNCV CYCLIC DINUCLEOTIDE NUCLEOTIDE SECOND MESSENGERNUCLEOTIDYLTRANSFERASE TRANSFERASE TRANSFERASE-RNA COMPLE
Ref.: BACTERIAL CGAS-LIKE ENZYMES SYNTHESIZE DIVERSE NUCL SIGNALS. NATURE V. 567 194 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A B:1;
C:1;
Valid;
Valid;
none;
none;
submit data
831.351 n/a [P+](...
MG A:301;
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
6E0O 1.25 Å EC: 2.-.-.- STRUCTURE OF ELIZABETHKINGIA MENINGOSEPTICA CDNE CYCLIC DINU SYNTHASE WITH PPPA[3'-5']PA ELIZABETHKINGIA MENINGOSEPTICA ATCC 13NBRC 12535 CGAS DNCV CYCLIC DINUCLEOTIDE NUCLEOTIDE SECOND MESSENGERNUCLEOTIDYLTRANSFERASE TRANSFERASE TRANSFERASE-RNA COMPLE
Ref.: BACTERIAL CGAS-LIKE ENZYMES SYNTHESIZE DIVERSE NUCL SIGNALS. NATURE V. 567 194 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 307 families.
1 6E0N - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
2 6E0O - ATP A n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 275 families.
1 6E0N - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
2 6E0O - ATP A n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 6E0N - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
2 6E0O - ATP A n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP A ; Similar ligands found: 298
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP A A A 1 1
2 ATP A 1 1
3 ADP PO3 0.813953 0.985507
4 ATP MG 0.813953 0.985507
5 A A 0.768421 0.957747
6 ADP MG 0.727273 0.985507
7 PO4 PO4 A A A A PO4 0.686869 0.971014
8 ADP VO4 0.677083 0.944444
9 VO4 ADP 0.677083 0.944444
10 ADP ALF 0.666667 0.906667
11 ALF ADP 0.666667 0.906667
12 G A A A 0.663717 0.907895
13 ADP BMA 0.653465 0.958333
14 U A G G 0.643478 0.92
15 A A A 0.637255 0.944444
16 A G 0.634783 0.92
17 AR6 AR6 0.614679 0.985714
18 GAP 0.612245 0.931507
19 AMP 0.593407 0.929577
20 A 0.593407 0.929577
21 APC MG 0.591837 0.957747
22 ABM 0.591398 0.90411
23 A2D 0.591398 0.957747
24 45A 0.591398 0.90411
25 ADP 0.589474 0.930556
26 AN2 0.583333 0.917808
27 BA3 0.578947 0.957747
28 A3P 0.578947 0.929577
29 A12 0.578947 0.893333
30 AP2 0.578947 0.893333
31 A C A C 0.578512 0.907895
32 PAP 0.575758 0.916667
33 AGS 0.575758 0.881579
34 SAP 0.575758 0.881579
35 B4P 0.572917 0.957747
36 AP5 0.572917 0.957747
37 SRA 0.569892 0.88
38 DAL AMP 0.567308 0.944444
39 AT4 0.56701 0.893333
40 APC 0.565657 0.893333
41 U A C C 0.565574 0.92
42 AHZ 0.561404 0.85
43 M33 0.561224 0.917808
44 ACP 0.555556 0.905405
45 HEJ 0.555556 0.930556
46 50T 0.555556 0.891892
47 ATP 0.555556 0.930556
48 4TA 0.553719 0.8625
49 U A 0.552846 0.92
50 A U 0.550847 0.932432
51 AQP 0.55 0.930556
52 AR6 0.55 0.930556
53 APR 0.55 0.930556
54 5FA 0.55 0.930556
55 ACQ 0.54902 0.905405
56 AF3 ADP 3PG 0.547009 0.871795
57 U A A U 0.546875 0.92
58 CA0 0.545455 0.905405
59 AU1 0.545455 0.905405
60 ADX 0.545455 0.8375
61 ADV 0.544554 0.893333
62 AD9 0.544554 0.905405
63 RBY 0.544554 0.893333
64 APC G U 0.540323 0.87013
65 KG4 0.54 0.905405
66 A22 0.537736 0.944444
67 PRX 0.534653 0.88
68 T99 0.533981 0.893333
69 TAT 0.533981 0.893333
70 ANP 0.533981 0.905405
71 6YZ 0.533333 0.905405
72 MYR AMP 0.531532 0.85
73 PPS 0.528846 0.814815
74 AMP NAD 0.528455 0.971831
75 HQG 0.528302 0.917808
76 ADQ 0.527778 0.931507
77 AMP DBH 0.526316 0.931507
78 TYR AMP 0.526316 0.932432
79 ATF 0.52381 0.893333
80 8LQ 0.523364 0.893333
81 3OD 0.522523 0.905405
82 25A 0.518519 0.957747
83 9X8 0.518182 0.881579
84 3AM 0.515789 0.888889
85 Z5A 0.515385 0.831325
86 8LE 0.514286 0.881579
87 5AL 0.514286 0.917808
88 COA FLC 0.511628 0.8
89 A G U 0.510949 0.873418
90 LMS 0.510417 0.814815
91 MAP 0.509259 0.881579
92 FYA 0.508929 0.917808
93 SON 0.504951 0.893333
94 SRP 0.504673 0.893333
95 8LH 0.504673 0.893333
96 9ZD 0.504587 0.87013
97 OOB 0.504587 0.944444
98 9ZA 0.504587 0.87013
99 OAD 0.504505 0.905405
100 25L 0.504425 0.944444
101 ARG AMP 0.504274 0.839506
102 LPA AMP 0.504202 0.85
103 NAD 0.504 0.971831
104 NAJ PZO 0.503937 0.907895
105 PAX 0.503817 0.839506
106 A U C C 0.503704 0.907895
107 PAJ 0.5 0.848101
108 AOC 0.5 0.833333
109 A3R 0.5 0.87013
110 NAJ PYZ 0.5 0.8625
111 A1R 0.5 0.87013
112 AMO 0.5 0.893333
113 4AD 0.5 0.906667
114 A3D 0.496063 0.958333
115 B5Y 0.495652 0.906667
116 00A 0.495495 0.894737
117 DLL 0.495495 0.944444
118 RAB 0.494382 0.830986
119 ADN 0.494382 0.830986
120 XYA 0.494382 0.830986
121 A G U U 0.492958 0.873418
122 NAE 0.492308 0.932432
123 AFH 0.491525 0.871795
124 7MD 0.491525 0.82716
125 3UK 0.491071 0.931507
126 8QN 0.490909 0.917808
127 5SV 0.490909 0.835443
128 OZV 0.490909 0.930556
129 9SN 0.486957 0.883117
130 B5V 0.486726 0.918919
131 WAQ 0.486726 0.87013
132 5N5 0.483516 0.805556
133 BIS 0.482456 0.87013
134 1ZZ 0.482456 0.82716
135 NB8 0.482456 0.858974
136 AHX 0.482143 0.858974
137 5AS 0.480392 0.767442
138 NMN AMP PO4 0.480315 0.932432
139 NAQ 0.477273 0.907895
140 NAI 0.47541 0.894737
141 DQV 0.475 0.944444
142 4UV 0.474576 0.906667
143 LAD 0.473684 0.848101
144 ZID 0.473684 0.958333
145 PR8 0.473684 0.8375
146 FA5 0.470085 0.918919
147 YAP 0.470085 0.906667
148 B5M 0.470085 0.906667
149 JB6 0.469565 0.894737
150 ME8 0.469565 0.82716
151 TXA 0.469565 0.893333
152 PTJ 0.469565 0.858974
153 N01 0.469231 0.971831
154 0WD 0.46875 0.883117
155 4UU 0.466667 0.906667
156 H1Q 0.466667 0.916667
157 7D5 0.463918 0.84
158 DND 0.463415 0.945205
159 NAX 0.463415 0.860759
160 NXX 0.463415 0.945205
161 4UW 0.463415 0.871795
162 A4D 0.462366 0.805556
163 5CD 0.462366 0.816901
164 2A5 0.462264 0.855263
165 G G 0.462185 0.907895
166 7D3 0.460784 0.842105
167 LAQ 0.459016 0.82716
168 G3A 0.458333 0.883117
169 ATR 0.457944 0.902778
170 A2P 0.456311 0.915493
171 7MC 0.456 0.807229
172 AP0 0.456 0.883117
173 YLP 0.455285 0.807229
174 G5P 0.454545 0.883117
175 A5A 0.454545 0.795181
176 GA7 0.454545 0.893333
177 XAH 0.453782 0.82716
178 G5A 0.453704 0.767442
179 NDE 0.453237 0.945205
180 HMG 0.452055 0.781609
181 TAD 0.45082 0.848101
182 GTA 0.45082 0.873418
183 OMR 0.448 0.817073
184 TYM 0.448 0.918919
185 TXE 0.448 0.894737
186 EP4 0.447917 0.763158
187 DSZ 0.447368 0.767442
188 NDC 0.446809 0.907895
189 COA PLM 0.445946 0.764045
190 PLM COA 0.445946 0.764045
191 139 0.445312 0.860759
192 3DH 0.444444 0.783784
193 9K8 0.444444 0.741573
194 UPA 0.444444 0.894737
195 4TC 0.444444 0.883117
196 FAD NBT 0.443709 0.758242
197 48N 0.443548 0.858974
198 7D4 0.443396 0.842105
199 M2T 0.443299 0.766234
200 DTA 0.443299 0.821918
201 TSB 0.442478 0.785714
202 LQJ 0.441667 0.930556
203 UP5 0.44 0.906667
204 6V0 0.44 0.883117
205 TXD 0.44 0.894737
206 MTA 0.438776 0.783784
207 IOT 0.4375 0.797619
208 SSA 0.4375 0.767442
209 CNV FAD 0.437086 0.831325
210 NSS 0.434783 0.788235
211 T5A 0.434109 0.829268
212 ADJ 0.434109 0.839506
213 52H 0.433628 0.767442
214 VMS 0.433628 0.776471
215 A2R 0.433628 0.917808
216 54H 0.433628 0.776471
217 8PZ 0.433333 0.788235
218 YLB 0.433071 0.807229
219 YLC 0.433071 0.82716
220 DZD 0.431818 0.871795
221 6RE 0.431373 0.769231
222 CNA 0.430769 0.945205
223 2AM 0.43 0.876712
224 53H 0.429825 0.767442
225 5CA 0.429825 0.767442
226 8X1 0.429825 0.741573
227 A4P 0.429688 0.809524
228 PUA 0.42963 0.848101
229 F2R 0.427481 0.807229
230 5X8 0.425926 0.773333
231 COD 0.424242 0.77907
232 P5A 0.423729 0.733333
233 ENQ 0.423729 0.929577
234 V3L 0.423423 0.930556
235 IMO 0.423077 0.888889
236 FAD CNX 0.423077 0.734043
237 J7C 0.423077 0.75641
238 A3N 0.423077 0.773333
239 LSS 0.422414 0.75
240 DCA 0.422222 0.770115
241 ETB 0.422222 0.77907
242 ZAS 0.421569 0.8
243 P6G FDA 0.420382 0.802326
244 NAP 0.42029 0.958333
245 M24 0.419118 0.860759
246 S4M 0.419048 0.694118
247 6MZ 0.419048 0.890411
248 NVA LMS 0.418803 0.761364
249 B1U 0.418033 0.764045
250 YSA 0.418033 0.788235
251 OVE 0.417476 0.842105
252 TAP 0.417266 0.92
253 ITT 0.416667 0.876712
254 9BG 0.416667 0.858974
255 COA 0.416058 0.770115
256 0T1 0.416058 0.770115
257 LEU LMS 0.415254 0.761364
258 NA7 0.415254 0.893333
259 MAO 0.415094 0.746988
260 NA0 0.414286 0.945205
261 DSH 0.413462 0.734177
262 CCQ 0.413333 0.73913
263 SFG 0.412844 0.76
264 YLA 0.412214 0.807229
265 KAA 0.411765 0.741573
266 GSU 0.411765 0.767442
267 FAM 0.411348 0.752809
268 ASP ASP ASP ILE CMC NH2 0.411043 0.772727
269 FAD NBA 0.411043 0.734043
270 BT5 0.410448 0.797619
271 KOY 0.409449 0.837838
272 AYB 0.409091 0.797619
273 APU 0.407692 0.881579
274 80F 0.407407 0.829268
275 AMX 0.407143 0.77907
276 CAO 0.407143 0.744444
277 30N 0.407143 0.705263
278 COS 0.407143 0.752809
279 GJV 0.40566 0.759494
280 FYN 0.405594 0.770115
281 SA8 0.405405 0.716049
282 4YB 0.404762 0.770115
283 EAD 0.404255 0.860759
284 CMX 0.404255 0.770115
285 SCO 0.404255 0.770115
286 AV2 0.403509 0.853333
287 WSA 0.403101 0.797619
288 BTX 0.402985 0.807229
289 NHD 0.402985 0.944444
290 CA6 0.402778 0.683673
291 P1H 0.402778 0.839506
292 P33 FDA 0.402516 0.775281
293 6C6 0.401786 0.844156
294 ACO 0.401408 0.744444
295 FCX 0.401408 0.744444
296 NMX 0.4 0.731183
297 SMM 0.4 0.714286
298 1VU 0.4 0.744444
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback