-->
Receptor
PDB id Resolution Class Description Source Keywords
5DKK 2.5 Å NON-ENZYME: OTHER STRUCTURE OF THE DARK-STATE MONOMER OF THE BLUE LIGHT PHOTOR AUREOCHROME 1A LOV FROM P. TRICORNUTUM PHAEODACTYLUM TRICORNUTUM LOV DNA BINDING PHOTORECEPTOR SIGNALING PROTEIN FLAVOPROTETRANSCRIPTION
Ref.: BLUE LIGHT-INDUCED LOV DOMAIN DIMERIZATION ENHANCES AFFINITY OF AUREOCHROME 1A FOR ITS TARGET DNA SEQUE ELIFE V. 5 11860 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:401;
B:500;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
ACT A:402;
A:403;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
EDO A:404;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DKK 2.5 Å NON-ENZYME: OTHER STRUCTURE OF THE DARK-STATE MONOMER OF THE BLUE LIGHT PHOTOR AUREOCHROME 1A LOV FROM P. TRICORNUTUM PHAEODACTYLUM TRICORNUTUM LOV DNA BINDING PHOTORECEPTOR SIGNALING PROTEIN FLAVOPROTETRANSCRIPTION
Ref.: BLUE LIGHT-INDUCED LOV DOMAIN DIMERIZATION ENHANCES AFFINITY OF AUREOCHROME 1A FOR ITS TARGET DNA SEQUE ELIFE V. 5 11860 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5DKK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5DKK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 6GB3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6GAY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 6GBV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 6GBA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2PR5 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1N9N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 2Z6C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 2V0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 5DKK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 4R38 - RBF C17 H20 N4 O6 Cc1cc2c(cc....
20 2Z6D - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DKK; Ligand: FMN; Similar sites found with APoc: 327
This union binding pocket(no: 1) in the query (biounit: 5dkk.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 6GNO XDI None
2 4WVW SLT None
3 1MID LAP None
4 1ULE GLA GAL NAG None
5 1UO5 PIH None
6 1W6P NDG GAL None
7 1YRX FMN None
8 1XZ3 ICF None
9 3KP6 SAL None
10 1TUK PGM None
11 5JSP DQY None
12 2GBB CIT None
13 5H9Q TD2 None
14 1ECM TSA None
15 3L5R 47X None
16 4WG0 CHD None
17 4JH6 FCN None
18 4NPL AKG None
19 5D48 L96 None
20 5X80 SAL None
21 1GT4 UNA None
22 4H07 IPH None
23 1ZEI CRS None
24 1SWG BTN None
25 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU None
26 2Z77 HE7 None
27 2XK9 XK9 None
28 2X34 UQ8 None
29 6FA4 D1W None
30 1UO4 PIH None
31 5T2Z 017 None
32 4UCC ZKW None
33 2LBD REA None
34 2X32 OTP None
35 4CQE CQE None
36 4XV1 904 None
37 1TT8 PHB None
38 6AYI C3G None
39 1KGI T4A None
40 6AYH C3G None
41 4AF5 CIT 1.37931
42 5NM7 GLY 1.37931
43 5TFZ 7BC 1.37931
44 4I90 CHT 1.37931
45 3JRS A8S 1.92308
46 5OCG 9R5 2.06897
47 5TPV TYD 2.06897
48 4EKV BTN 2.06897
49 3RWP ABQ 2.06897
50 3VRY B43 2.06897
51 5XIO HFG 2.06897
52 5LNW HG3 2.06897
53 4YLZ LAT NAG GAL 2.06897
54 4O4K 2PK 2.06897
55 6GIN IR2 2.06897
56 6EWZ APC 2.75862
57 1QY1 PRZ 2.75862
58 4BVA T3 2.75862
59 6F6D AKG 2.75862
60 4DXJ 0M9 2.75862
61 3C3D FO1 2.75862
62 2UZ2 BTN 3.07692
63 5U9J GER 3.44828
64 5XVG 8FX 3.44828
65 3HP9 CF1 3.44828
66 5HCY 60D 3.44828
67 1GQG DCD 3.44828
68 2W5P CL8 3.44828
69 2C9O ADP 3.44828
70 3LDW ZOL 3.44828
71 4UAL 3FV 3.44828
72 3W5N RAM 3.44828
73 5W4W 9WG 3.44828
74 4CSD MFU 3.44828
75 3W54 RNB 3.44828
76 5INJ 6C7 3.44828
77 2WBP SIN 3.44828
78 2WBP ZZU 3.44828
79 2DW7 SRT 3.44828
80 3Q9T FAY 3.44828
81 4S00 AKR 3.44828
82 2E56 MYR 3.47222
83 4BJ8 BTN 3.96825
84 4BCS BTN 4
85 2GWH PCI 4.13793
86 6CB2 OLC 4.13793
87 6A0S NDP 4.13793
88 1J3R 6PG 4.13793
89 5O9W AKG 4.13793
90 2YBP 2HG 4.13793
91 2EV9 SKM 4.13793
92 2Q8E OGA 4.13793
93 2OS2 OGA 4.13793
94 2P5B OGA 4.13793
95 4DQ2 BTX 4.13793
96 5X3R 7Y3 4.13793
97 5EW9 5VC 4.13793
98 5XFV FMN 4.13793
99 2HK5 1BM 4.13793
100 5XHA FRU 4.13793
101 2GC0 PAN 4.13793
102 1D6H COA 4.13793
103 5JGA 6KC 4.13793
104 3EW2 BTN 4.44444
105 4Z28 BTN 4.47761
106 6HDT BTN 4.51128
107 4Z3E GAL NGA GLA BGC GAL 4.54545
108 2C1Q BTN 4.7619
109 3KMZ EQO 4.82759
110 1L0I PSR 4.82759
111 4BG4 ADP 4.82759
112 4RD0 GDP 4.82759
113 5H9P TD2 4.82759
114 2IF8 ADP 4.82759
115 1U6R ADP 4.82759
116 3X01 AMP 4.82759
117 3OPT AKG 4.82759
118 4JGP PYR 4.82759
119 5APK 76E 4.82759
120 2JFZ 003 4.82759
121 2JFZ DGL 4.82759
122 5G48 1FL 4.82759
123 4WOE ADP 4.82759
124 5NFB 8VT 4.82759
125 5TSH ANP 4.82759
126 2ADA HPR 4.82759
127 6FOF LAT 4.82759
128 1SGJ OAA 4.92958
129 1A78 TDG 5.22388
130 5HWV MBN 5.38462
131 4L4J NAG NAG BMA MAN NAG 5.51724
132 3WG3 A2G GAL NAG FUC 5.51724
133 3M3E GAL A2G NPO 5.51724
134 3AI3 SOL 5.51724
135 4G31 0WH 5.51724
136 5A5W GUO 5.51724
137 2CHG ANP 5.51724
138 4MGA 27L 5.51724
139 2I4O ATP 5.51724
140 5VAD 91Y 5.51724
141 5VAD PRO 5.51724
142 4OCT AKG 5.51724
143 3ZJX BOG 5.51724
144 4RQL SNE 5.51724
145 1NAA ABL 5.51724
146 1Y75 NAG 5.51724
147 4YDQ HFG 5.51724
148 4YDQ ANP 5.51724
149 3AI3 SOE 5.51724
150 4USF 6UI 5.51724
151 5EEH P9P 5.51724
152 5KTQ DCP 5.51724
153 3K5I ADP 5.51724
154 5DQ8 FLF 5.83333
155 1MDC PLM 6.06061
156 5FUI APY 6.06061
157 4QXB OGA 6.2069
158 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.2069
159 4XTX 590 6.2069
160 4RW3 PLM 6.2069
161 5LX9 OLB 6.2069
162 3TKI S25 6.2069
163 5OLK DTP 6.2069
164 1R6N 434 6.2069
165 4YUS FMN 6.2069
166 6BU0 IHP 6.2069
167 1EP2 ORO 6.2069
168 2XN5 FUN 6.2069
169 3VRV YSD 6.2069
170 5IM3 DTP 6.2069
171 2XMY CDK 6.2069
172 1UNQ 4IP 6.2069
173 1YFS ALA 6.2069
174 1JV1 UD1 6.2069
175 5LWY OLB 6.54206
176 1SLT NDG GAL 6.71642
177 2ARC ARA 6.89655
178 4WHZ 3NL 6.89655
179 1SDW IYT 6.89655
180 6F3G CJN 6.89655
181 5LOF 70R 6.89655
182 4YZC STU 6.89655
183 3SHZ 5CO 6.89655
184 3D91 REM 6.89655
185 4U63 FAD 6.89655
186 2IUW AKG 6.89655
187 3WFD AXO 6.89655
188 1SR7 MOF 6.89655
189 3JU6 ANP 6.89655
190 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 6.89655
191 2JDR L20 6.89655
192 3E9I XAH 6.89655
193 1T0S BML 6.89655
194 3IAL PR8 6.89655
195 5UC4 83S 7.27273
196 3WUD GLC GAL 7.35294
197 5GLT BGC GAL NAG GAL 7.58621
198 5KJW 53C 7.58621
199 5B09 4MX 7.58621
200 3I27 SID 7.58621
201 3QPB URA 7.58621
202 1C9K 5GP 7.58621
203 5DRB 5FJ 7.58621
204 3GE7 AFQ 7.58621
205 3VV5 SLZ 7.58621
206 2HJ3 FAD 7.58621
207 1W2D ADP 7.58621
208 1XAP TTB 7.58621
209 4QMN DB8 7.58621
210 2QZZ NAP 7.58621
211 4F4P 0SB 7.58621
212 2ZSC BTN 7.80142
213 4W9F 3JU 8.24742
214 4B9K TG0 8.24742
215 1DZK PRZ 8.27586
216 5EK3 5PK 8.27586
217 3LGG CFE 8.27586
218 3E7O 35F 8.27586
219 5FAW CHT 8.27586
220 4M1U A2G MBG 8.57143
221 4RF7 ARG 8.96552
222 4FFG LBS 8.96552
223 1HZP DAO 8.96552
224 5MJA 7O3 8.96552
225 2Z9V PXM 8.96552
226 5NLD LBT 8.96552
227 1M2Z BOG 8.96552
228 1B7Y FYA 8.96552
229 4P8K 38C 8.96552
230 4P8K FAD 8.96552
231 3T58 FAD 8.96552
232 2JIG PD2 8.96552
233 4QCK ASD 8.96552
234 2AGC DAO 8.96552
235 1JLX GAL A2G MBN 8.96552
236 5ORG 6DB 8.96552
237 3A16 PXO 8.96552
238 1WAP TRP 9.33333
239 2V57 PRL 9.47368
240 4JNJ BTN 9.56522
241 3B99 U51 9.65517
242 4NW6 2NS 9.65517
243 5UR1 YY9 9.65517
244 4F8L AES 9.65517
245 3H0L ADP 9.65517
246 2IID PHE 9.65517
247 2IID FAD 9.65517
248 4B2D SER 9.65517
249 1TW4 CHD 9.65517
250 3FAL REA 9.65517
251 2HFN FMN 9.65517
252 5F1R 42O 10.3448
253 2BCG GER 10.3448
254 5V3Y 5V8 10.3448
255 5A0U CHT 10.3448
256 5XIJ 873 10.3448
257 5XIJ ANP 10.3448
258 3GD9 GLC BGC BGC BGC 10.3448
259 4WGF HX2 10.3448
260 1BHX ASP PHE GLU GLU ILE 10.4762
261 3RGA LSB 11.0345
262 6E1Q CFA 11.0345
263 4O4Z N2O 11.0345
264 2HK9 SKM 11.0345
265 3B6R ADP 11.0345
266 4ONA UW1 11.0345
267 5HV0 AKG 11.0345
268 6AC9 ANP 11.0345
269 1RQH PYR 11.7241
270 2CIX CEJ 11.7241
271 3WYJ H78 11.7241
272 4IA6 EIC 11.7241
273 4URX HXY 11.7241
274 4URX FK1 11.7241
275 6BVM EBV 11.7241
276 6BVK EAV 11.7241
277 1SBR VIB 11.7241
278 1HV9 UD1 11.7241
279 2GJ5 VD3 12.4138
280 2R8Q IBM 12.4138
281 2DXU BT5 12.4138
282 1WPY BTN 12.4138
283 5U97 PIT 12.4138
284 5C1M OLC 13.1034
285 4F06 PHB 13.1034
286 4MRP GSH 13.1034
287 2Q0D ATP 13.1034
288 4GNC ASO 13.1034
289 4E93 GUI 13.1034
290 3SAO DBH 13.7931
291 2J3M ATP 13.7931
292 2J3M PRI 13.7931
293 2B9I ADP 13.7931
294 3T4L ZEA 14.4828
295 2VDY HCY 14.4828
296 2AG4 OLA 15.1724
297 2AG4 LP3 15.1724
298 6D61 4AA 15.1724
299 1M15 ADP 15.1724
300 1M15 ARG 15.1724
301 4NAO AKG 15.1724
302 1WBI BTN 15.5039
303 1LRI CLR 16.3265
304 5VNF VAL THR SER VAL VAL 16.5517
305 2Y69 CHD 16.5517
306 5W97 CHD 16.5517
307 5ZCO PGV 16.5517
308 4D1J DGJ 16.5517
309 5Z84 CHD 16.5517
310 2OZ5 7XY 16.5517
311 5ZCO CHD 16.5517
312 4F4S EFO 17.1053
313 4CJN QNZ 17.2414
314 1PS9 FAD 17.931
315 3JQ3 ADP 18.6207
316 2HFK E4H 18.6207
317 5DEY 59T 20
318 1CEB AMH 20.4545
319 1X0P FAD 22.3776
320 4QB6 GCU XYP 22.7586
321 5N9T 8QQ 25.5172
322 1ZOY UQ1 27.1845
323 3EWK FAD 30.3448
324 5MBC FMN 33.7931
325 2GJ3 FAD 37.5
326 3P7N FMN 44.8276
327 4WUJ FMN 46.2069
Pocket No.: 2; Query (leader) PDB : 5DKK; Ligand: FMN; Similar sites found with APoc: 103
This union binding pocket(no: 2) in the query (biounit: 5dkk.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2IYG FMN None
2 3GWL FAD None
3 5C2F JTH None
4 1IS3 LAT None
5 1OUK 084 2.06897
6 1J78 OLA 2.06897
7 2UXI G50 2.06897
8 3OYW TDG 2.23881
9 4CPH LH4 2.3622
10 2D6M LBT 2.75862
11 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 2.75862
12 2BHW NEX 3.44828
13 3AHQ FAD 3.44828
14 3QCP FAD 3.44828
15 2DC1 CIT 3.44828
16 3H78 BE2 3.44828
17 4OKD GLC GLC GLC 4.13793
18 3LLI FAD 4.13793
19 3A51 VDY 4.13793
20 4GGZ BTN 4.34783
21 3GWN FAD 4.38596
22 4V1F BQ1 4.65116
23 2HHP FLC 4.82759
24 1E4I NFG 4.82759
25 6GZD LCI 4.82759
26 1HSL HIS 4.82759
27 1QKQ MAN 4.92958
28 4TV1 36M 5.51724
29 1TV5 N8E 5.51724
30 1U25 IHS 5.51724
31 4CQB MLI 5.51724
32 6C0B PAM 5.51724
33 4ORM FMN 5.51724
34 4ORM 2V6 5.51724
35 4ORM ORO 5.51724
36 5AAV GW5 5.51724
37 4LY9 S6P 5.51724
38 4LY9 1YY 5.51724
39 5HCN DAO 5.51724
40 5AZC PGT 5.51724
41 4TUZ 36J 5.51724
42 4KYS VIB 5.51724
43 3DOO SKM 6.2069
44 3NB0 G6P 6.2069
45 3IA4 MTX 6.2069
46 3G5D 1N1 6.2069
47 4D06 NAR 6.2069
48 4KQP GLN 6.2069
49 3NX2 FER 6.54762
50 1F9V ADP 6.89655
51 4YSX E23 6.89655
52 4EUU BX7 6.89655
53 5UIU 8CG 6.89655
54 1LBF 137 6.89655
55 6MPT C30 7.58621
56 2VWT PYR 7.58621
57 5A4W QCT 7.58621
58 4D4U FUC NDG GAL FUC 7.58621
59 1SZO CAX 7.58621
60 2QZZ EMF 7.58621
61 3N9Q OGA 8.27586
62 1NVM OXL 8.27586
63 4NAE 1GP 8.27586
64 1FNN ADP 8.27586
65 1R6B ADP 8.27586
66 2Y6Q I7T 8.27586
67 2FCU AKG 8.96552
68 5FCF GLY GLY GLY 8.96552
69 1QAW TRP 9.45946
70 3KV4 OGA 9.65517
71 5BVE 4VG 9.65517
72 1VJY 460 9.65517
73 1ND4 KAN 9.65517
74 1E5F PLP 10.3448
75 1I7A PHE 10.8108
76 3BP1 GUN 11.0345
77 4LAE 1VM 11.0345
78 4LAE NAP 11.0345
79 1NF8 BOG 11.7241
80 1JXN MFU 11.7241
81 3WV6 GAL BGC 11.7241
82 6BVJ EAS 11.7241
83 6BVI EC4 11.7241
84 5KR7 6X9 12.4138
85 2GU8 796 12.4138
86 3OKI OKI 12.4138
87 3MJY IJZ 12.4138
88 3MJY FMN 12.4138
89 1XVB BHL 13.1034
90 1JR8 FAD 13.6752
91 2B9J ADP 13.7931
92 3MBG FAD 15.1079
93 1U29 I3P 15.1724
94 1LNX URI 16.0494
95 5Z84 PGV 16.5517
96 3P0K FAD 17.2414
97 4OGQ 7PH 17.931
98 1HQS CIT 17.931
99 4GJ3 0XP 18.6207
100 4ELG 52I 20
101 4ELG 52J 20
102 1OQC FAD 21.6
103 5F2T PLM 29.6552
APoc FAQ
Feedback