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Receptor
PDB id Resolution Class Description Source Keywords
4EES 1.8 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF ILOV ARABIDOPSIS THALIANA LOV BLUE LIGHT PHOTORECEPTOR SIGNALING PROTEIN FLAVOPROTE
Ref.: STRUCTURAL TUNING OF THE FLUORESCENT PROTEIN ILOV F IMPROVED PHOTOSTABILITY. J.BIOL.CHEM. V. 287 22295 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:1001;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EES 1.8 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF ILOV ARABIDOPSIS THALIANA LOV BLUE LIGHT PHOTORECEPTOR SIGNALING PROTEIN FLAVOPROTE
Ref.: STRUCTURAL TUNING OF THE FLUORESCENT PROTEIN ILOV F IMPROVED PHOTOSTABILITY. J.BIOL.CHEM. V. 287 22295 2012
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2V0U - 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 : 4EES; Ligand: FMN; Similar sites found with APoc: 359
This union binding pocket(no: 1) in the query (biounit: 4ees.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4K55 H6P None
2 6A0S NDP None
3 6EWZ APC None
4 1UO5 PIH None
5 4WG0 CHD None
6 1TUK PGM None
7 4WVW SLT None
8 6D61 4AA None
9 1Y2F WAI None
10 3KP6 SAL None
11 1DZK PRZ None
12 2GC0 PAN None
13 1QKQ MAN None
14 4WHZ 3NL None
15 1SWG BTN None
16 5TVI MYR None
17 5TFZ 7BC None
18 5TPV TYD None
19 5D48 L96 None
20 1MDC PLM None
21 1BHX ASP PHE GLU GLU ILE None
22 1C1L GAL BGC None
23 2Z77 HE7 None
24 1A78 TDG None
25 1LRI CLR None
26 1Y7P RIP None
27 2AIB ERG None
28 6CAY ERG None
29 1Y75 NAG None
30 6AYH C3G None
31 4F4S EFO None
32 4BCS BTN None
33 5OFI 9TQ None
34 4XCP PLM None
35 1WBI BTN None
36 1UO4 PIH None
37 1OYF MHN None
38 4Z28 BTN None
39 1BWO LPC None
40 5JNN 6LM None
41 2OZ5 7XY None
42 5OWC AYZ None
43 3NMV PYV None
44 3EW2 BTN None
45 4EKV BTN None
46 1XZ3 ICF 1.73913
47 1Z6K OAA 1.73913
48 3VV1 GAL FUC 1.73913
49 4JX1 CAH 1.73913
50 4JX1 CAM 1.73913
51 1UGY GLA GLC 1.73913
52 1NU4 MLA 2.06186
53 6GNO XDI 2.6087
54 6BU0 IHP 2.6087
55 5F1R 42O 2.6087
56 2GJ5 VD3 2.6087
57 4YLZ LAT NAG GAL 2.6087
58 3FXU TSU 2.6087
59 1OGX EQU 2.6087
60 5UR1 YY9 2.6087
61 2YLD CMO 2.6087
62 4GGZ BTN 2.6087
63 5MKG C2E 2.6087
64 1WUB OTP 2.6087
65 1OVD ORO 2.6087
66 1OVD FMN 2.6087
67 4N14 WR7 3.47826
68 3F70 MLZ 3.47826
69 4YRD 3IT 3.47826
70 3SAO DBH 3.47826
71 1VJY 460 3.47826
72 1EWF PC1 3.47826
73 3SAO NKN 3.47826
74 2BYC FMN 4.34783
75 1GQG DCD 4.34783
76 4Z3E GAL NGA GLA BGC GAL 4.34783
77 4UMX VVS 4.34783
78 4UMX NAP 4.34783
79 5A5W GUO 4.34783
80 4IMO PWZ 4.34783
81 5MJA 7O3 4.34783
82 4L9Z OXL 4.34783
83 5VM6 9EG 4.34783
84 4RYV ZEA 4.34783
85 1WPY BTN 4.34783
86 5L2R MLA 4.34783
87 4H07 IPH 4.34783
88 1TDF NAP 4.34783
89 4NAE 1GP 4.34783
90 1ERB ETR 4.34783
91 4EKQ NPO 4.34783
92 1D6H COA 4.34783
93 5KAU RHQ 4.34783
94 2JBM SRT 5.01672
95 5MBC FMN 5.21739
96 3PFG TLO 5.21739
97 3PFG SAM 5.21739
98 2X32 OTP 5.21739
99 5LX9 OLB 5.21739
100 2WA4 069 5.21739
101 5O9W AKG 5.21739
102 1PS9 FAD 5.21739
103 4YZC STU 5.21739
104 4O4Z N2O 5.21739
105 4ZU3 4SD 5.21739
106 5FXD H7Y 5.21739
107 5XFV FMN 5.21739
108 3E85 BSU 5.21739
109 2C9O ADP 5.21739
110 2QZZ EMF 5.21739
111 4XTX 590 5.21739
112 1X8X TYR 5.21739
113 2QZZ NAP 5.21739
114 3A6T 8OG 5.21739
115 3RGA LSB 5.21739
116 4N7C AEF 5.21739
117 3BP1 GUN 5.21739
118 2HK5 1BM 5.21739
119 5N17 8FK 5.21739
120 5Y02 HBX 5.60748
121 3ZW2 NAG GAL FUC 5.74713
122 2G30 ALA ALA PHE 6.08696
123 6CB2 OLC 6.08696
124 4WOE ADP 6.08696
125 6E1Q CFA 6.08696
126 2ARC ARA 6.08696
127 5YJS SAL 6.08696
128 4YUS FMN 6.08696
129 4RD0 GDP 6.08696
130 5JSP DQY 6.08696
131 5BVE 4VG 6.08696
132 3W5N RAM 6.08696
133 1M15 ARG 6.08696
134 1M15 ADP 6.08696
135 3B6R ADP 6.08696
136 1U6R ADP 6.08696
137 4IAW LIZ 6.08696
138 6F6D AKG 6.08696
139 4QCK ASD 6.08696
140 3JQ3 ADP 6.08696
141 5AIG VPR 6.08696
142 2ADA HPR 6.08696
143 2XMY CDK 6.08696
144 1SGJ OAA 6.08696
145 4KAX 4IP 6.08696
146 4LIT AKG 6.08696
147 1C9K 5GP 6.08696
148 6F97 FAD 6.08696
149 2R09 4IP 6.08696
150 2Z7I 742 6.08696
151 3DOO SKM 6.08696
152 1FHX 4IP 6.08696
153 5KWY C3S 6.08696
154 3VRY B43 6.08696
155 2R0D 4IP 6.08696
156 3OID TCL 6.08696
157 4NAO AKG 6.08696
158 2EAE FUC 6.08696
159 5B09 4MX 6.73077
160 2GWH PCI 6.95652
161 4BG4 ADP 6.95652
162 3I27 SID 6.95652
163 3HP9 CF1 6.95652
164 4REI 3MV 6.95652
165 5F6U 5VK 6.95652
166 5IXG OTP 6.95652
167 4NS0 PIO 6.95652
168 5VNF VAL THR SER VAL VAL 6.95652
169 3E9I XAH 6.95652
170 5EK3 5PK 6.95652
171 1TT8 PHB 6.95652
172 2OVW CBI 6.95652
173 4KYS VIB 6.95652
174 2P7Q GG6 6.95652
175 5LXT GTP 6.95652
176 5KD6 LBU 6.95652
177 5KD6 6C7 6.95652
178 3H9A PPY 6.95652
179 3Q9T FAY 6.95652
180 4L80 OXL 7.82609
181 3H5N ATP 7.82609
182 4JNJ BTN 7.82609
183 5OSW DIU 7.82609
184 3SHZ 5CO 7.82609
185 2W5P CL8 7.82609
186 1U29 I3P 7.82609
187 4L4J NAG NAG BMA MAN NAG 7.82609
188 4WGF HX2 7.82609
189 4ZV1 ARG 7.82609
190 5ORG 6DB 7.82609
191 4P8K 38C 7.82609
192 4P8K FAD 7.82609
193 1SDW IYT 7.82609
194 5KJW 53C 7.82609
195 5C9P FUC 7.82609
196 3LGG CFE 7.82609
197 3EFS BTN 7.82609
198 1XJD STU 7.82609
199 5TVM PUT 8.23529
200 1QY1 PRZ 8.69565
201 5CX6 CDP 8.69565
202 4MGA 27L 8.69565
203 1NAA 6FA 8.69565
204 1NAA ABL 8.69565
205 4O4K 2PK 8.69565
206 4MZU TDR 8.69565
207 3BXO UPP 8.69565
208 3GD9 GLC BGC BGC BGC 8.69565
209 5NM7 GLY 8.69565
210 4MG9 27K 8.69565
211 2J8R MSL 8.69565
212 2J5B TYE 8.69565
213 2B9I ADP 9.52381
214 3KV5 OGA 9.56522
215 1ZOY UQ1 9.56522
216 4JH6 FCN 9.56522
217 1F9V ADP 9.56522
218 4BVA T3 9.56522
219 5Z84 CHD 9.56522
220 5W97 CHD 9.56522
221 1IS3 LAT 9.56522
222 4ONA UW1 9.56522
223 1GT4 UNA 9.56522
224 1E1O LYS 9.56522
225 3T58 FAD 9.56522
226 5IXH OTP 9.56522
227 5ZCO CHD 9.56522
228 2CIX CEJ 9.56522
229 5ZCO PGV 9.56522
230 1UWK URO 9.56522
231 1UWK NAD 9.56522
232 3GE7 AFQ 9.56522
233 1SR7 MOF 9.56522
234 2D6M LBT 10.4348
235 4MRP GSH 10.4348
236 4RW3 PLM 10.4348
237 6FOF LAT 10.4348
238 3BJE URA 10.4348
239 5D9G GLU ASN LEU TYR PHE GLN 10.4348
240 4DDY DN6 10.4348
241 3A16 PXO 10.4348
242 3ACL 3F1 10.4348
243 5H9P TD2 10.4348
244 5JGA 6KC 10.4348
245 2ZRU FMN 10.4348
246 4JGP PYR 10.4348
247 1XAP TTB 10.4348
248 3T4L ZEA 11.3043
249 5C1M OLC 11.3043
250 3WV6 GAL BGC 11.3043
251 3WV6 GAL GLC 11.3043
252 4KQP GLN 11.3043
253 3NV3 GAL NAG MAN 11.3043
254 4URX HXY 11.3043
255 3VV5 SLZ 11.3043
256 5VLC HSO 11.3043
257 3W68 VIV 11.3043
258 4URX FK1 11.3043
259 3H0L ADP 11.3043
260 2GBB CIT 11.3043
261 2BCG GER 11.3043
262 4RQL SNE 11.3043
263 5ACM MBT 11.7117
264 1MID LAP 12.0879
265 5H9Q TD2 12.1739
266 3ZXE PGZ 12.1739
267 1GPE FAD 12.1739
268 2AGC DAO 12.1739
269 3RV5 DXC 12.3596
270 4XCB AKG 13.0435
271 3WUD GLC GAL 13.0435
272 5GLT BGC GAL NAG GAL 13.0435
273 1W6P NDG GAL 13.0435
274 6AYI C3G 13.0435
275 4HEE 14R 13.0435
276 2CHG ANP 13.0435
277 2Q4X HMH 13.0435
278 1KJ1 MAN 13.7615
279 3PUR 2HG 13.913
280 3N9O OGA 13.913
281 3N9Q OGA 13.913
282 3N9P OGA 13.913
283 4QXB OGA 13.913
284 5DYO FLU 13.913
285 1VR0 3SL 13.913
286 2B3B GLC 13.913
287 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 13.913
288 2B3B BGC 13.913
289 4FFG LBS 14.7826
290 4LED XXR 14.7826
291 1ULE GLA GAL NAG 14.7826
292 3WG3 A2G GAL NAG FUC 14.7826
293 3KU0 ADE 14.7826
294 2J3M ATP 14.7826
295 2J3M PRI 14.7826
296 6GVZ CHO 14.7826
297 6BVM EBV 14.7826
298 6BVK EAV 14.7826
299 1KGI T4A 14.7826
300 2AG4 LP3 15.6522
301 2AG4 OLA 15.6522
302 3KMZ EQO 15.6522
303 1M2Z BOG 15.6522
304 1X0P FAD 15.6522
305 5IM3 DTP 15.6522
306 5KEW 6SB 15.6522
307 5OCG 9R5 16.5217
308 3AI3 SOE 16.5217
309 1OCU PIB 16.5217
310 6FA4 D1W 16.5217
311 5TBM 79A 16.5217
312 4OIT MAN 16.8142
313 5Z3I ADE 17.3913
314 1TE2 PGA 17.3913
315 1P72 THM 17.3913
316 3ZJX BOG 17.3913
317 3B99 U51 18.2609
318 5TSH ANP 18.2609
319 4JEJ 1GP 18.2609
320 6GMN F4E 18.5567
321 4W9H 3JF 18.5567
322 4B9K TG0 18.5567
323 5HV0 AKG 19.1304
324 3NNF AKG 19.1304
325 2IYG FMN 20
326 4F06 PHB 20
327 1YRX FMN 20
328 4DQ2 BTX 20
329 3UVD MB3 20
330 4RF7 ARG 20.8696
331 4D1J DGJ 21.7391
332 4J6C STR 21.7391
333 5LUN OGA 21.7391
334 1OJK GLC BGC 22.6087
335 5HCY 60D 22.6087
336 5DTF 5CT 22.6087
337 3GFZ FMN 23.4783
338 2O1V ADP 23.4783
339 2JIG PD2 24.3478
340 2HFK E4H 24.3478
341 5C3R AKG 25.2174
342 5C3R HMU 25.2174
343 3VQ2 LP4 LP5 MYR DAO 26.9565
344 1JQY A32 27.1845
345 2HFN FMN 27.8261
346 1RQH PYR 27.8261
347 2Y69 CHD 28.5714
348 4WN5 MVC 28.6957
349 5U97 PIT 29.5652
350 3O01 DXC 30.4348
351 4XAC AKG 30.4348
352 5HWV MBN 30.4348
353 1XVB BHL 31.3043
354 5W75 SUC 33.0435
355 4YNU FAD 35.6522
356 3EWK FAD 39.1304
357 2GJ3 FAD 40
358 5SVV FMN 46.9565
359 4HIA FMN 49.5652
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