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Receptor
PDB id Resolution Class Description Source Keywords
5EFW 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LOV2-ZDK1 - THE COMPLEX OF OAT LOV2 AND AFFIBODY PROTEIN ZDARK1 AVENA SATIVA LOV DOMAIN PHOTORECEPTOR AFFIBODY OPTOGENETIC TOOL SIGNAPROTEIN
Ref.: LOVTRAP: AN OPTOGENETIC SYSTEM FOR PHOTOINDUCED PRO DISSOCIATION. NAT.METHODS V. 13 755 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:101;
A:602;
B:102;
A:603;
A:605;
A:604;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
FMN A:601;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EFW 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LOV2-ZDK1 - THE COMPLEX OF OAT LOV2 AND AFFIBODY PROTEIN ZDARK1 AVENA SATIVA LOV DOMAIN PHOTORECEPTOR AFFIBODY OPTOGENETIC TOOL SIGNAPROTEIN
Ref.: LOVTRAP: AN OPTOGENETIC SYSTEM FOR PHOTOINDUCED PRO DISSOCIATION. NAT.METHODS V. 13 755 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 5EFW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5DJU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5EFW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 5DJT - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5DJU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5EFW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 5DJT - 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 : 5EFW; Ligand: FMN; Similar sites found with APoc: 314
This union binding pocket(no: 1) in the query (biounit: 5efw.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 6GNO XDI None
2 4WVW SLT None
3 2ARC ARA None
4 4Z3E GAL NGA GLA BGC GAL None
5 1YRX FMN None
6 1SWG BTN None
7 1UO5 PIH None
8 4WG0 CHD None
9 1LRI CLR None
10 1MDC PLM None
11 2QX0 PH2 None
12 2Z77 HE7 None
13 2X32 OTP None
14 1WUB OTP None
15 2IYG FMN None
16 6AYI C3G None
17 4JNJ BTN None
18 2A4W BLM None
19 3IWD M2T None
20 1OYF MHN None
21 5A4W QCT None
22 3PFG TLO 1.37931
23 3PFG SAM 1.37931
24 2HFN FMN 2.06897
25 5UR1 YY9 2.06897
26 4KQP GLN 2.75862
27 4YLZ LAT NAG GAL 2.75862
28 5MKG C2E 2.75862
29 2JLD AG1 2.75862
30 1QKQ MAN 3.33333
31 2GJ5 VD3 3.44828
32 5A5W GUO 3.44828
33 3KP6 SAL 3.44828
34 2OCI TYC 3.44828
35 5XVG 8FX 4.13793
36 2GBB CIT 4.13793
37 4ZU3 4SD 4.13793
38 3E8N VRA 4.13793
39 3E8N ATP 4.13793
40 1OGX EQU 4.58015
41 1ECM TSA 4.58716
42 4BCS BTN 4.8
43 3W54 RNB 4.82759
44 2Z7I 742 4.82759
45 3VRY B43 4.82759
46 2B9I ADP 4.82759
47 6GR0 F8W 4.82759
48 4QMN DB8 4.82759
49 1D6H COA 4.82759
50 3CBC DBS 4.82759
51 3L5R 47X 5
52 2JBM SRT 5
53 1URX AAL GAL AAL GLA 5
54 5XIJ 873 5
55 1MFI FHC 5
56 5XIJ ANP 5
57 5VAD PRO 5
58 5VAD 91Y 5
59 1L0I PSR 5.12821
60 2UZ2 BTN 5.38462
61 4TW7 37K 5.46875
62 4DQ2 BTX 5.51724
63 1GQG DCD 5.51724
64 4B0T ADP 5.51724
65 5DRB 5FJ 5.51724
66 4P8K 38C 5.51724
67 4P8K FAD 5.51724
68 3JRS A8S 5.51724
69 4BJ8 BTN 5.55556
70 2ZSC BTN 5.67376
71 2W5P CL8 6.04027
72 5D48 L96 6.2069
73 5JSP DQY 6.2069
74 1ULE GLA GAL NAG 6.2069
75 3W5N RAM 6.2069
76 3AI3 SOE 6.2069
77 3OPT AKG 6.2069
78 3E81 SLB 6.2069
79 6FA4 D1W 6.66667
80 5H9P TD2 6.66667
81 2OVW CBI 6.66667
82 1NAA ABL 6.66667
83 5EOB 5QQ 6.66667
84 5B09 4MX 6.73077
85 6EWZ APC 6.89655
86 6MPT C30 6.89655
87 1QY1 PRZ 6.89655
88 1DZK PRZ 6.89655
89 1WPY BTN 6.89655
90 2DXU BT5 6.89655
91 5EEH P9P 6.89655
92 5JFS 6K0 6.89655
93 3EW2 BTN 7.40741
94 3N9O OGA 7.58621
95 6D61 4AA 7.58621
96 4BVA T3 7.58621
97 2LBD REA 7.58621
98 1FCZ 156 7.58621
99 4GJ3 0XP 7.58621
100 3PUR 2HG 7.58621
101 5U97 PIT 7.58621
102 1SZO CAX 7.58621
103 3N9Q OGA 7.58621
104 4M26 AKG 8.24176
105 5AZC PGT 8.27586
106 4XTX 590 8.33333
107 5U9J GER 8.33333
108 4FFG LBS 8.33333
109 4UMX VVS 8.33333
110 3LGG CFE 8.33333
111 3A51 VDY 8.33333
112 3GD9 GLC BGC BGC BGC 8.33333
113 5X7Q GLC GLC GLC GLC GLC 8.33333
114 1Y75 NAG 8.33333
115 1NX4 AKG 8.33333
116 2Q8G AZX 8.33333
117 5DQ8 FLF 8.33333
118 4OJ8 AKG 8.33333
119 5HWV MBN 8.46154
120 1WBI BTN 8.52713
121 5C1M OLC 8.8
122 5MJA 7O3 8.96552
123 3M3E GAL A2G NPO 8.96552
124 4OIT MAN 8.96552
125 4O4K 2PK 8.96552
126 4LIT AKG 8.96552
127 4IA6 EIC 8.96552
128 4WHZ 3NL 9.65517
129 1M15 ADP 9.65517
130 1M15 ARG 9.65517
131 3T58 FAD 9.65517
132 4EKV BTN 9.65517
133 5XIO HFG 9.65517
134 2C9O ADP 9.65517
135 4WGF HX2 9.65517
136 1MID LAP 9.89011
137 3JU6 ANP 10
138 5INJ 6C7 10
139 4MRP GSH 10
140 5EW9 5VC 10
141 4RW3 PLM 10
142 1ELI PYC 10
143 2JIG PD2 10
144 1A78 TDG 10
145 6AYH C3G 10
146 3VV5 SLZ 10
147 2ADA HPR 10
148 1JLX GAL A2G MBN 10
149 5W4W 9WG 10
150 4ONA UW1 10.3448
151 3B99 U51 10.3448
152 2AGC DAO 10.3448
153 4GGZ BTN 10.4348
154 5ZCO CHD 10.8696
155 5Z84 CHD 10.8696
156 5ZCO PGV 10.8696
157 5W97 CHD 10.8696
158 5MBC FMN 11.0345
159 1MV8 GDX 11.0345
160 1TUK PGM 11.6667
161 4YUS FMN 11.6667
162 3TKI S25 11.6667
163 4URX HXY 11.6667
164 5OLK DTP 11.6667
165 3GE7 AFQ 11.6667
166 3SHZ 5CO 11.6667
167 1VJY 460 11.6667
168 1ERB ETR 11.6667
169 5KD6 6C7 11.6667
170 5NLD LBT 11.6667
171 5KD6 LBU 11.6667
172 3E9I XAH 11.6667
173 3CMJ SRT 11.6667
174 4QXB OGA 11.7241
175 2AG4 OLA 11.7241
176 2AG4 LP3 11.7241
177 3WG3 A2G GAL NAG FUC 11.7241
178 3KU0 ADE 11.7241
179 1VR0 3SL 11.7241
180 4CS4 AXZ 11.7241
181 5VZ0 ADP 11.7241
182 2J3M PRI 11.7241
183 2J3M ATP 11.7241
184 4CPH LH4 11.811
185 5XDT ZI7 12.4138
186 4MGA 27L 13.1034
187 1SR7 MOF 13.1034
188 4OYA 1VE 13.1034
189 3ZXE PGZ 13.3333
190 5KJW 53C 13.3333
191 5LX9 OLB 13.3333
192 2CHG ANP 13.3333
193 5H9Q TD2 13.3333
194 3BJC WAN 13.3333
195 3H0L ADP 13.3333
196 1U6R ADP 13.3333
197 5XHA FRU 13.3333
198 4OCT AKG 13.3333
199 4YDQ ANP 13.3333
200 4YDQ HFG 13.3333
201 3D91 REM 13.3333
202 4YZC STU 13.3333
203 1KGI T4A 14.1732
204 5HV0 AKG 14.4828
205 4F06 PHB 15
206 3KV4 OGA 15
207 5F1R 42O 15
208 1J3R 6PG 15
209 4L4J NAG NAG BMA MAN NAG 15
210 4BG4 ADP 15
211 5TPV TYD 15
212 2GC0 PAN 15
213 2IID PHE 15
214 2IID FAD 15
215 4NG2 OHN 15
216 4EWH T77 15
217 4RQL SNE 15
218 4D4U FUC NDG GAL FUC 15
219 1ZDT PEF 15
220 3ITJ FAD 15
221 5C5T AKG 15
222 2Z9V PXM 15
223 6D6L FY4 15
224 5FXD H7Y 15
225 4QCK ASD 15.1724
226 2Y6Q I7T 15.1724
227 3WUD GLC GAL 15.4412
228 5HCY 60D 15.8621
229 6CAY ERG 15.8621
230 3C3D FO1 15.8621
231 2YBP 2HG 16.5517
232 2OS2 OGA 16.5517
233 2Q8E OGA 16.5517
234 1T0S BML 16.5517
235 2JDR L20 16.5517
236 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 16.5517
237 4RF7 ARG 16.6667
238 6E1Q CFA 16.6667
239 3HP9 CF1 16.6667
240 5O9W AKG 16.6667
241 1R6N 434 16.6667
242 5B0I BOG 16.6667
243 4KYS VIB 16.6667
244 1GT4 UNA 16.6667
245 4POW OP1 16.6667
246 1TW4 CHD 16.6667
247 1X0P FAD 16.6667
248 2QZZ NAP 16.6667
249 3VOT ADP 16.6667
250 2I74 MAN MAN MAN MAN 16.6667
251 4Z28 BTN 17.1642
252 3OYW TDG 17.1642
253 1W6P NDG GAL 17.1642
254 1TE2 PGA 17.2414
255 4O4Z N2O 17.2414
256 5GLT BGC GAL NAG GAL 17.931
257 1RQH PYR 17.931
258 4JH6 FCN 18.3333
259 4G31 0WH 18.3333
260 4FGC PQ0 18.3333
261 5X3R 7Y3 18.3333
262 2XMY CDK 18.3333
263 5VLC HSO 18.3333
264 3JQ3 ADP 18.6207
265 2HK5 1BM 19.3103
266 3KMZ EQO 20
267 5K13 6Q7 20
268 1FDJ 2FP 20
269 3Q9T FAY 20.6897
270 2VL1 GLY GLY 21.3793
271 4B9K TG0 21.6495
272 4BKS X6C 21.6495
273 1PS9 FAD 21.6667
274 2I4O ATP 21.6667
275 1VRP IOM 21.6667
276 1VRP ADP 21.6667
277 3N9P OGA 21.875
278 1XZ3 ICF 22.069
279 2HFK E4H 22.7586
280 5BVE 4VG 23.3333
281 2E56 MYR 23.3333
282 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 23.3333
283 5VNF VAL THR SER VAL VAL 23.3333
284 3VQ2 LP4 LP5 MYR DAO 23.3333
285 4XV1 904 23.3333
286 4CQE CQE 23.3333
287 3B6R ADP 23.3333
288 5DEY 59T 24.8276
289 4F4P 0SB 24.8276
290 4RD0 GDP 25
291 4UAL 3FV 25
292 1ZOY UQ1 26.2069
293 1SGJ OAA 26.6667
294 6F6D AKG 26.6667
295 5EK3 5PK 26.6667
296 6C0B PAM 26.6667
297 5U3B 7TD 27.5862
298 3T4L ZEA 30
299 2Y69 CHD 30
300 5TSH ANP 30
301 5A0U CHT 30
302 4WOE ADP 31.6667
303 1M2Z BOG 31.6667
304 3EWK FAD 31.7241
305 1F9V ADP 33.3333
306 3ZJX BOG 36.6667
307 5GZZ GSH 36.6667
308 2GJ3 FAD 37.5
309 3P7N FMN 40.6897
310 4WUJ FMN 41.3793
311 4D1J DGJ 41.6667
312 4R38 RBF 44.2857
313 6GBV FMN 45.8904
314 4GCZ FMN 48.2759
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