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Receptor
PDB id Resolution Class Description Source Keywords
3IS2 2.3 Å NON-ENZYME: OTHER 2.3 ANGSTROM CRYSTAL STRUCTURE OF A CYS71 SULFENIC ACID FORM OF VIVID NEUROSPORA CRASSA PHOTORECEPTOR CIRCADIAN CLOCK FLAVIN SULFENIC ACID SIGNALING PROTEIN
Ref.: ILLUMINATING SOLUTION RESPONSES OF A LOV DOMAIN PROTEIN WITH PHOTOCOUPLED SMALL-ANGLE X-RAY SCATTERING. J.MOL.BIOL. V. 393 909 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:201;
B:201;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IS2 2.3 Å NON-ENZYME: OTHER 2.3 ANGSTROM CRYSTAL STRUCTURE OF A CYS71 SULFENIC ACID FORM OF VIVID NEUROSPORA CRASSA PHOTORECEPTOR CIRCADIAN CLOCK FLAVIN SULFENIC ACID SIGNALING PROTEIN
Ref.: ILLUMINATING SOLUTION RESPONSES OF A LOV DOMAIN PROTEIN WITH PHOTOCOUPLED SMALL-ANGLE X-RAY SCATTERING. J.MOL.BIOL. V. 393 909 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3IS2 - FAD C27 H33 N9 O15 P2 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 3IS2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3IS2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IS2; Ligand: FAD; Similar sites found with APoc: 304
This union binding pocket(no: 1) in the query (biounit: 3is2.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1S8G DAO None
2 1SWG BTN None
3 1HBK MYR None
4 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO None
5 4WVW SLT None
6 1DZK PRZ None
7 3KP6 SAL None
8 4O4Z N2O None
9 5HV0 AKG None
10 1N8V BDD None
11 1UO5 PIH None
12 1MID LAP None
13 4GGZ BTN None
14 1NWW HPN None
15 4HBM 0Y7 None
16 1UO4 PIH None
17 4OIT BMA None
18 3ITA AIC None
19 4BJ8 BTN None
20 4WG0 CHD None
21 2GJ5 VD3 None
22 3GWN FAD None
23 1YYE 196 None
24 4OIT MAN None
25 3OLL EST None
26 1MT1 AG2 None
27 3KPE TM3 None
28 6HDT BTN None
29 4AF5 CIT None
30 1KGI T4A None
31 2QQC AG2 None
32 1N13 AG2 None
33 1GT4 UNA None
34 1MDC PLM None
35 1U3R 338 None
36 6FOF LAT None
37 4F4S EFO None
38 3ZO7 K6H None
39 3PGL RZX None
40 6AYH C3G None
41 3ZXE PGZ None
42 4A91 GLU None
43 4IMO PWZ 1.2987
44 3NZ1 3NY 1.2987
45 1YUC EPH 1.2987
46 1FHX 4IP 1.55039
47 5AIG VPR 1.6
48 4JNJ BTN 1.73913
49 3T4L ZEA 1.94805
50 4RD0 GDP 1.94805
51 4CNO 9PY 1.94805
52 2IF8 ADP 1.94805
53 2C3H GLC GLC 2.04082
54 3GF2 SAL 2.05479
55 2Z77 HE7 2.15827
56 3EW2 BTN 2.22222
57 5WZU 7W3 2.43902
58 3T2W BTN 2.45902
59 1XZ3 ICF 2.5974
60 4Y2B EPK 2.5974
61 6GN6 GLC 2.5974
62 3R3V FAH 2.5974
63 5H4S RAM 2.5974
64 4WGF HX2 2.5974
65 6FLZ MMA 2.77778
66 4MGA 27L 3.24675
67 4TV1 36M 3.24675
68 4QCK ASD 3.24675
69 5HYR EST 3.24675
70 2P41 G1G 3.24675
71 3JQ3 ADP 3.24675
72 5DXE EST 3.24675
73 2QA8 GEN 3.24675
74 3RGA LSB 3.24675
75 4I94 ANP 3.24675
76 4TUZ 36J 3.24675
77 5WGD EST 3.24675
78 5WGQ EST 3.24675
79 2QZO KN1 3.24675
80 3UUD EST 3.24675
81 5LXB 7A9 3.24675
82 4MG8 27J 3.24675
83 3MBI ADP 3.24675
84 4BTK DTQ 3.24675
85 1HSL HIS 3.24675
86 4NFN 2KC 3.24675
87 4MGD 27N 3.24675
88 6AC9 ANP 3.24675
89 5A4W QCT 3.24675
90 1NF8 BOG 3.8961
91 2BHW NEX 3.8961
92 2BCG GER 3.8961
93 1ZOY UQ1 3.8961
94 4L80 OXL 3.8961
95 3X01 AMP 3.8961
96 5AZC PGT 3.8961
97 2OVW CBI 3.8961
98 3JU6 ANP 3.8961
99 1GPM AMP 3.8961
100 2RH1 CLR 3.8961
101 4JGP PYR 3.8961
102 1U6R ADP 3.8961
103 1YFS ALA 3.8961
104 3I54 CMP 3.8961
105 2WA4 069 3.8961
106 1PD2 GSH 3.8961
107 6FXR AKG 3.8961
108 5TFZ 7BC 4
109 1IS3 LAT 4.44444
110 3PUR 2HG 4.54545
111 1F9V ADP 4.54545
112 5JSP DQY 4.54545
113 4OKD GLC GLC GLC 4.54545
114 4L4J NAG NAG BMA MAN NAG 4.54545
115 4XCP PLM 4.54545
116 5VLC HSO 4.54545
117 2PX6 DH9 4.54545
118 5OD2 GLC 4.54545
119 2PX8 MGT 4.54545
120 3T58 FAD 4.54545
121 5LWY OLB 4.54545
122 4CPH LH4 4.72441
123 2IYG FMN 4.83871
124 1YRX FMN 4.95868
125 4JH6 FCN 5.07246
126 1J3R 6PG 5.19481
127 2GC0 PAN 5.19481
128 3NB0 G6P 5.19481
129 5X3R 7Y3 5.19481
130 3WXL ADP 5.19481
131 4PBG BGP 5.19481
132 6AYI C3G 5.19481
133 4B1L FRU 5.19481
134 5A5W GUO 5.19481
135 4HNN LYS 5.19481
136 3EXS 5RP 5.19481
137 2CB8 MYA 5.74713
138 2CHG ANP 5.84416
139 1TV5 N8E 5.84416
140 3DOO SKM 5.84416
141 5ICK FEZ 5.84416
142 3LGG CFE 5.84416
143 6BXL SAM 5.84416
144 2VDJ HSE 5.84416
145 1SBR VIB 5.84416
146 3IX9 MTX 5.84416
147 3WG3 A2G GAL NAG FUC 5.84416
148 1RJW ETF 5.84416
149 2PYW SR1 5.84416
150 1WDA BAG 5.84416
151 2J5B TYE 5.84416
152 4QDC ASD 5.84416
153 2ET1 GLV 5.84416
154 1OGX EQU 6.10687
155 4N14 WR7 6.49351
156 2XN5 FUN 6.49351
157 1QY1 PRZ 6.49351
158 5LX9 OLB 6.49351
159 2HK9 SKM 6.49351
160 1XVB 3BR 6.49351
161 5YF9 NIO 6.49351
162 1I06 TZL 6.49351
163 4D52 GXL 6.49351
164 4HEE 14R 6.49351
165 1J1R ADE 6.49351
166 4D4U FUC NDG GAL FUC 6.49351
167 2VD9 IN5 6.49351
168 2W5P CL8 6.71141
169 1JR8 FAD 6.83761
170 1U29 I3P 6.97674
171 6EWZ APC 7.14286
172 2ARC ARA 7.14286
173 1GQG DCD 7.14286
174 1DTL BEP 7.14286
175 3I27 SID 7.14286
176 6G5J EM8 7.14286
177 2C9O ADP 7.14286
178 4I90 CHT 7.14286
179 4DDY DN6 7.14286
180 4CME KTZ 7.14286
181 4L9Z OXL 7.14286
182 4Z3E GAL NGA GLA BGC GAL 7.14286
183 4I3G BGC 7.14286
184 5KOD IAC 7.14286
185 3GQT UFO 7.14286
186 1C1L GAL BGC 7.29927
187 1UGY GLA GLC 7.5188
188 1X0P FAD 7.69231
189 4OGQ 7PH 7.79221
190 4YSX E23 7.79221
191 3A16 PXO 7.79221
192 4QXB OGA 7.79221
193 6DIO CIT 7.79221
194 4OGQ UMQ 7.79221
195 5U97 PIT 7.79221
196 5B0I BOG 7.79221
197 4ZU3 4SD 7.79221
198 5M8T 0TR 7.79221
199 2GBB CIT 7.79221
200 2Z9V PXM 7.79221
201 3ZGJ RMN 7.79221
202 5O9W AKG 7.79221
203 1NE7 16G 7.79221
204 5L6G XYP 7.79221
205 3W54 RNB 7.79221
206 5XIO HFG 7.79221
207 4Z28 BTN 8.20895
208 1NU4 MLA 8.24742
209 1M2Z BOG 8.44156
210 5ERM 210 8.44156
211 6BVK EAV 8.44156
212 6BVM EBV 8.44156
213 5TSH ANP 8.44156
214 6BVL EBY 8.44156
215 6BVI EC4 8.44156
216 6BVJ EAS 8.44156
217 6D5L FW7 8.44156
218 6D5H FV7 8.44156
219 6D5J FV4 8.44156
220 5GLT BGC GAL NAG GAL 8.44156
221 6D59 FVJ 8.44156
222 6D5M FW4 8.44156
223 6D56 FVM 8.44156
224 6D5E FVG 8.44156
225 6D55 FWA 8.44156
226 1KC7 PPR 8.44156
227 4OCT AKG 8.44156
228 1E4I NFG 9.09091
229 4KQP GLN 9.09091
230 5IM3 DTP 9.09091
231 2HHP FLC 9.74026
232 6E1Q CFA 9.74026
233 4RW3 PLM 9.74026
234 2Y69 CHD 9.74026
235 4EKV BTN 9.74026
236 5Z84 CHD 9.74026
237 5W97 CHD 9.74026
238 5ZCO CHD 9.74026
239 2XN3 ID8 10
240 6GPC ARG 10.3175
241 6GNO XDI 10.3704
242 6CB2 OLC 10.3896
243 5KJW 53C 10.3896
244 1SDW IYT 10.3896
245 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 10.3896
246 1C5C TK4 10.3896
247 1AUA BOG 10.3896
248 4V1F BQ1 10.4651
249 4FFG LBS 11.039
250 3AB4 THR 11.039
251 2EB5 OXL 11.039
252 5VNF VAL THR SER VAL VAL 11.039
253 5NM7 GLY 11.039
254 3SAO DBH 11.6883
255 4NPL AKG 11.6883
256 5I0U DCY 11.6883
257 2HJ3 FAD 12
258 5OWC AYZ 12.2951
259 3MA0 XYP 12.3377
260 5INJ 6C7 12.3377
261 4U0W 16G 12.3377
262 2ZUX RAM 12.3377
263 4QDF 30Q 12.3377
264 1T0S BML 12.987
265 5FXD H7Y 12.987
266 1KAH HIS 12.987
267 1KAR HSM 12.987
268 2CIX CEJ 12.987
269 5X7Q GLC GLC GLC GLC GLC 13.6364
270 3ZDS OMD 13.6364
271 2J0W ASP 13.6364
272 5TPV TYD 14.3791
273 4D1J DGJ 14.9351
274 4JX1 CAH 15.0442
275 4WOE ADP 15.5844
276 3D91 REM 15.5844
277 4WQ2 3SU 16.2338
278 1KJ1 MAN 17.4312
279 3FAL REA 17.5325
280 2JIG PD2 18.8312
281 3AHQ FAD 18.8312
282 3H0L ADP 18.8312
283 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 19.4805
284 3B6R ADP 19.4805
285 3W5N RAM 20.1299
286 3Q60 ATP 20.1299
287 3QCP FAD 20.1299
288 4M26 AKG 20.1299
289 5OLK DTP 20.1299
290 4YUS FMN 22.0779
291 2ZHL NAG GAL GAL NAG 22.973
292 4RF7 ARG 24.026
293 2QS8 MET 24.026
294 3EWK FAD 27.9221
295 3HPY MCT 30.5195
296 6GBV FMN 41.7808
297 4GCZ FMN 42.8571
298 2WKQ FMN 44.1558
299 4R38 RBF 44.2857
300 2Z6D FMN 45.3846
301 2PR5 FMN 45.4545
302 3T50 FMN 47.6562
303 2Z6C FMN 48.062
304 3P7N FMN 48.7013
305 2GJ3 FAD 50
Pocket No.: 2; Query (leader) PDB : 3IS2; Ligand: FAD; Similar sites found with APoc: 69
This union binding pocket(no: 2) in the query (biounit: 3is2.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2D6M LBT None
2 1L0I PSR None
3 1Y2F WAI None
4 1ZEI CRS None
5 1TW4 CHD None
6 5H9Q TD2 None
7 2IOR ADP None
8 5CXI 5TW None
9 2HRL SIA GAL SIA BGC NGA CEQ None
10 3RWP ABQ 1.94805
11 4UMX VVS 1.94805
12 6CAM BGC 1.94805
13 5NFB 8VT 1.94805
14 4MRP GSH 2.5974
15 4NKW PLO 2.5974
16 5MJA 7O3 3.24675
17 4U98 ACP 3.24675
18 4MG9 27K 3.24675
19 1LOX RS7 3.24675
20 3ROE THM 3.24675
21 2HFN FMN 3.26797
22 2AGC DAO 3.8961
23 4NAE 1GP 3.8961
24 4F06 PHB 4.54545
25 5W1E PHB 4.54545
26 1D8C SOR 4.54545
27 3N9O OGA 4.54545
28 5L2R MLA 4.54545
29 2XMY CDK 4.54545
30 1LRI CLR 5.10204
31 5UC9 MYR 5.19481
32 2PL3 ADP 5.19481
33 3KV4 OGA 5.84416
34 4EKQ NPO 5.84416
35 3HP9 CF1 6.49351
36 1VR0 3SL 6.49351
37 4D52 GIV 6.49351
38 1H16 PYR 6.49351
39 4DE3 DN8 7.14286
40 2QES ADE 7.14286
41 5AWM ANP 7.14286
42 2EFJ 37T 7.14286
43 2BOS GLA GAL 7.35294
44 1Y75 NAG 7.62712
45 1V7R CIT 7.79221
46 3BXO UPP 7.79221
47 6F6D AKG 7.79221
48 6C8X BVR 8.08081
49 6D5G FVD 8.44156
50 3KU0 ADE 9.09091
51 3FW9 SLX 9.09091
52 6D61 4AA 9.74026
53 3DLS ADP 10.3896
54 3A6T 8OG 11.6279
55 1VRP ADP 11.6883
56 3SAO NKN 11.6883
57 2J8R MSL 12.3377
58 3VOT ADP 12.987
59 3ZDS M8O 13.6364
60 4GN8 ASO 14.2857
61 1TZD ADP 14.2857
62 5OCA 9QZ 16.2338
63 4WES HCA 16.2338
64 3RDO BTN 16.3399
65 3BJE URA 17.5325
66 2R8Q IBM 18.8312
67 3AI3 SOL 18.8312
68 5NC9 8SZ 18.8312
69 2Q4G CIT 23.2558
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