-->
Receptor
PDB id Resolution Class Description Source Keywords
3T50 1.64 Å EC: 2.7.13.3 X-RAY STRUCTURE OF THE LOV DOMAIN FROM THE LOV-HK SENSORY PR BRUCELLA ABORTUS (DARK STATE). BRUCELLA MELITENSIS PAS SUPERFAMILY BLUE-LIGHT PHOTORECEPTOR FMN BINDING TRAN
Ref.: THE BETA-SCAFFOLD OF THE LOV DOMAIN OF THE BRUCELLA LIGHT-ACTIVATED HISTIDINE KINASE IS A KEY ELEMENT F TRANSDUCTION J.MOL.BIOL. V. 420 112 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:200;
B:201;
Valid;
Valid;
none;
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
3T50 1.64 Å EC: 2.7.13.3 X-RAY STRUCTURE OF THE LOV DOMAIN FROM THE LOV-HK SENSORY PR BRUCELLA ABORTUS (DARK STATE). BRUCELLA MELITENSIS PAS SUPERFAMILY BLUE-LIGHT PHOTORECEPTOR FMN BINDING TRAN
Ref.: THE BETA-SCAFFOLD OF THE LOV DOMAIN OF THE BRUCELLA LIGHT-ACTIVATED HISTIDINE KINASE IS A KEY ELEMENT F TRANSDUCTION J.MOL.BIOL. V. 420 112 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3T50 - 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 18 families.
1 3T50 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1N9L - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3T50 - 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 : 3T50; Ligand: FMN; Similar sites found with APoc: 435
This union binding pocket(no: 1) in the query (biounit: 3t50.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1QKQ MAN None
2 1MID LAP None
3 5TZO 7V7 None
4 4WG0 CHD None
5 1SWG BTN None
6 3EW2 BTN None
7 5OF1 SAL None
8 1UO5 PIH None
9 2IYG FMN None
10 1J3R 6PG None
11 4KQP GLN None
12 1TUK PGM None
13 1DZK PRZ None
14 5HV0 AKG None
15 4G31 0WH None
16 3T2W BTN None
17 5AIG VPR None
18 4RYV ZEA None
19 1ERB ETR None
20 5B09 4MX None
21 5N0L ILE None
22 3KU0 ADE None
23 5LN8 GAL None
24 2ALG DAO None
25 5A7C 5D4 None
26 5IXH OTP None
27 5IXG OTP None
28 2YIP YIO None
29 1ZEI CRS None
30 3RV5 DXC None
31 1C3M MAN MAN None
32 1MDC PLM None
33 3R9V DXC None
34 3JRS A8S None
35 2ZSC BTN None
36 1LRI CLR None
37 1BWO LPC None
38 2BOS GLA GAL None
39 4E2J MOF None
40 4ZGM 32M None
41 4Z28 BTN 1.5625
42 4WHZ 3NL 1.5625
43 5URY PAM 1.5625
44 6F8A HIS 1.5625
45 4JNJ BTN 1.73913
46 3AI3 SOE 2.34375
47 3H5N ATP 2.34375
48 5EW9 5VC 2.34375
49 1M2Z BOG 2.34375
50 2GBB CIT 2.34375
51 3A6T 8OG 2.34375
52 5XHA FRU 2.34375
53 2XHK AKG 2.34375
54 3LMS GLY 2.34375
55 3B50 SLB 2.34375
56 1D6H COA 2.34375
57 4BCS BTN 2.4
58 1Y75 NAG 2.54237
59 3PUR 2HG 3.125
60 3WG3 A2G GAL NAG FUC 3.125
61 3M3E GAL A2G NPO 3.125
62 5FUI APY 3.125
63 1VJY 460 3.125
64 3G5D 1N1 3.125
65 5HA0 LTD 3.125
66 3W21 AKG 3.125
67 5EK3 5PK 3.125
68 1OJK GLC BGC 3.125
69 5WL1 CUY 3.125
70 5WL1 D3D 3.125
71 1OJJ GLC GAL 3.125
72 3T58 FAD 3.125
73 5AX9 4KT 3.125
74 4YZC STU 3.125
75 2YKL NLD 3.125
76 3E2M E2M 3.125
77 4CNO 9PY 3.125
78 2QPU QPU 3.125
79 2YLD CMO 3.14961
80 5TVI MYR 3.26087
81 6EWZ APC 3.37553
82 1F9V ADP 3.90625
83 5VLC HSO 3.90625
84 6HDT BTN 3.90625
85 5C1M OLC 3.90625
86 6CAY ERG 3.90625
87 5BVE 4VG 3.90625
88 4BJ8 BTN 3.90625
89 6DIO CIT 3.90625
90 5TPV TYD 3.90625
91 1Y2F WAI 3.90625
92 2RDG NDG FUC SIA GAL 3.90625
93 1DY4 SNP 3.90625
94 4ZSI GLP 3.90625
95 2GWD GLU 3.90625
96 2Z77 HE7 3.90625
97 2GC0 PAN 3.90625
98 5U97 PIT 3.90625
99 5UR6 8KM 3.90625
100 5DQ8 FLF 3.90625
101 2HK9 SKM 3.90625
102 6AYH C3G 3.90625
103 1OIJ AKG 3.90625
104 3THR C2F 3.90625
105 1I06 TZL 3.90625
106 3W54 RNB 3.90625
107 3F70 MLZ 3.90625
108 4OIT MAN 4.42478
109 4OIT BMA 4.42478
110 1KJ1 MAN 4.58716
111 2G30 ALA ALA PHE 4.6875
112 1X0P FAD 4.6875
113 5INJ 6C7 4.6875
114 3K4Z CBI 4.6875
115 4AF5 CIT 4.6875
116 1S5O 152 4.6875
117 2ARC ARA 4.6875
118 4D4U FUC NDG GAL FUC 4.6875
119 5C5T AKG 4.6875
120 5DRB 5FJ 4.6875
121 5FQ0 FLC 4.6875
122 1UWK URO 4.6875
123 1UWK NAD 4.6875
124 5D48 L96 4.6875
125 3SHZ 5CO 4.6875
126 6FXR AKG 4.6875
127 4LIT AKG 4.6875
128 2OG7 SIN 4.6875
129 4A3R CIT 4.6875
130 2C5S AMP 4.6875
131 4WOE ADP 4.6875
132 4RW3 PLM 4.6875
133 3JU6 ANP 4.6875
134 1OLM VTQ 4.6875
135 3VV5 SLZ 4.6875
136 4P8K 38C 4.6875
137 4P8K FAD 4.6875
138 2E56 MYR 4.6875
139 1Z6K OAA 4.6875
140 2ZUX RAM 4.6875
141 5UC9 MYR 4.6875
142 4IDT T28 4.6875
143 4N14 WR7 4.6875
144 4D52 GIV 4.6875
145 5W10 CMP 4.6875
146 4CCK OGA 4.6875
147 1XMY ROL 4.6875
148 2IOR ADP 4.6875
149 2JIG PD2 4.6875
150 5I0U DCY 4.6875
151 3TKI S25 4.6875
152 4MNS 2AX 4.6875
153 3QH2 3NM 4.6875
154 3A16 PXO 4.6875
155 3A76 SPD 4.6875
156 4WVO 3UZ 4.6875
157 2QE4 JJ3 4.6875
158 4O4K 2PK 4.6875
159 6AC9 ANP 4.6875
160 4J25 OGA 4.6875
161 2B3B GLC 4.6875
162 5D9G GLU ASN LEU TYR PHE GLN 4.6875
163 3UU7 2OH 4.6875
164 5UMW RBF 4.6875
165 5WGQ EST 4.6875
166 5TSH ANP 4.6875
167 6G0X RAM GLC GLA NAG NDG NAG 4.6875
168 4B5W PYR 4.6875
169 2IUW AKG 4.6875
170 2B3B BGC 4.6875
171 4F06 PHB 5.46875
172 3BJC WAN 5.46875
173 4MRP GSH 5.46875
174 1XZ3 ICF 5.46875
175 3GD9 GLC BGC BGC BGC 5.46875
176 5DEY 59T 5.46875
177 1GQG DCD 5.46875
178 4MG8 27J 5.46875
179 2ADA HPR 5.46875
180 4TUZ 36J 5.46875
181 4XCP PLM 5.46875
182 2Y3S TIR 5.46875
183 3RDO BTN 5.46875
184 4MGA 27L 5.46875
185 6GWR FEW 5.46875
186 2P4Y C03 5.46875
187 5JGA 6KC 5.46875
188 4L77 CNL 5.46875
189 1U6R ADP 5.46875
190 3A4V NAD 5.46875
191 3A4V PYR 5.46875
192 4OIV XX9 5.46875
193 1VRP ADP 5.46875
194 4XYM A12 5.46875
195 3EXS 5RP 5.46875
196 5OWC AYZ 5.46875
197 5HYR EST 5.46875
198 5AAV GW5 5.46875
199 5W4W 9WG 5.46875
200 2IF8 ADP 5.46875
201 4V2O CLQ 6.09756
202 1MFI FHC 6.14035
203 5MWE TCE 6.17284
204 4JX1 CAH 6.25
205 3KP6 SAL 6.25
206 2CHG ANP 6.25
207 1QY1 PRZ 6.25
208 1M15 ARG 6.25
209 1M15 ADP 6.25
210 6GR0 F8W 6.25
211 2OVW CBI 6.25
212 4L4J NAG NAG BMA MAN NAG 6.25
213 1NX4 AKG 6.25
214 3QTP 2PG 6.25
215 4RD0 GDP 6.25
216 2XMY CDK 6.25
217 6F6D AKG 6.25
218 5UR1 YY9 6.25
219 1URX AAL GAL AAL GLA 6.25
220 3MPB FRU 6.25
221 3BXO UPP 6.25
222 2XCG XCG 6.25
223 3KMZ EQO 6.25
224 2A9G ARG 6.25
225 4H07 IPH 6.25
226 4YRD 3IT 6.25
227 1YKD CMP 6.25
228 2A4W BLM 6.25
229 4TWP AXI 6.25
230 2YY7 NAD 6.25
231 4U0W 16G 6.25
232 3H0L ADP 6.38298
233 1ECM TSA 6.42202
234 5UEX 89D 6.42202
235 3KDU NKS 6.85921
236 3QRC SCR 7.00637
237 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 7.03125
238 4WVW SLT 7.03125
239 5L2R MLA 7.03125
240 6E1Q CFA 7.03125
241 2JBM SRT 7.03125
242 4EKV BTN 7.03125
243 2WA4 069 7.03125
244 1SDW IYT 7.03125
245 4XTX 590 7.03125
246 4BG4 ADP 7.03125
247 1YFS ALA 7.03125
248 1SR7 MOF 7.03125
249 3O01 DXC 7.03125
250 5U98 1KX 7.03125
251 4I94 ANP 7.03125
252 5IF4 6AK 7.03125
253 1ULE GLA GAL NAG 7.03125
254 2CIX CEJ 7.03125
255 1SW1 PBE 7.03125
256 4E93 GUI 7.03125
257 4BVA T3 7.03125
258 1OS7 AKG 7.03125
259 5EOB 5QQ 7.03125
260 4CPH LH4 7.03125
261 1KGI T4A 7.08661
262 4BKS X6C 7.2165
263 4GC1 MAN MAN 7.8125
264 5DYO FLU 7.8125
265 4DDY DN6 7.8125
266 5O9W AKG 7.8125
267 5MBC FMN 7.8125
268 3RGA LSB 7.8125
269 5MRH Q9Z 7.8125
270 5LX9 OLB 7.8125
271 1T0S BML 7.8125
272 1OX5 1PR 7.8125
273 2F2G HMH 7.8125
274 2Q4X HMH 7.8125
275 5JNN 6LM 7.8125
276 4URX FK1 7.8125
277 4MA6 28E 7.8125
278 3NMV PYV 7.8125
279 5MJA 7O3 7.8125
280 1GT4 UNA 7.8125
281 4URX HXY 7.8125
282 3EWC MCF 7.8125
283 1QFT HSM 7.8125
284 6BVK EAV 7.8125
285 5Y72 DST 7.8125
286 6BVM EBV 7.8125
287 5LNW RP5 7.8125
288 5KAU RHQ 7.8125
289 5OD2 GLC 7.8125
290 4DS8 A8S 7.8125
291 1YRX FMN 8.26446
292 4RF7 ARG 8.59375
293 5YJS SAL 8.59375
294 5JSP DQY 8.59375
295 4JH6 FCN 8.59375
296 2F7A BEZ 8.59375
297 3VQ2 LP4 LP5 MYR DAO 8.59375
298 1XE7 GUN 8.59375
299 1KSK URA 8.59375
300 5Z3I ADE 8.59375
301 5OLK DTP 8.59375
302 4YUS FMN 8.59375
303 6FBA D48 8.59375
304 2XN3 ID8 8.59375
305 2VAR KDG 8.59375
306 1W6P NDG GAL 8.59375
307 4QCK ASD 8.59375
308 4GGZ BTN 8.69565
309 2TPI ILE VAL 8.73362
310 6CCU PRO HIS ARG VAL 9.13978
311 5LWY OLB 9.34579
312 3W5N RAM 9.375
313 3JQ3 ADP 9.375
314 5XVG 8FX 9.375
315 1KAH HIS 9.375
316 5F1R 42O 9.375
317 3LGG CFE 9.375
318 2VDY HCY 9.375
319 3W68 VIV 9.375
320 5I8T LAC 9.375
321 3VSV XYP 9.375
322 2YNE NHW 9.375
323 2YNE YNE 9.375
324 1T36 ADP 9.375
325 2DHC DCE 9.375
326 3B99 U51 9.375
327 1KAR HSM 9.375
328 2V57 PRL 9.375
329 3B00 16A 9.375
330 1EWF PC1 9.42982
331 4LED XXR 10.1562
332 2C9O ADP 10.1562
333 4O4Z N2O 10.1562
334 5MKG C2E 10.1562
335 2BCG GER 10.1562
336 4XV1 904 10.1562
337 1J0D 5PA 10.1562
338 4FGC PQ0 10.1562
339 2VWT PYR 10.1562
340 3OID TCL 10.1562
341 5FU3 BGC BGC BGC 10.3774
342 1OGZ EQU 10.4
343 2HFN FMN 10.4575
344 4K55 H6P 10.4839
345 3QLM PLM 10.4839
346 3KFF ZBT 10.4938
347 3KFF XBT 10.4938
348 1ZOY UQ1 10.6796
349 4D1J DGJ 10.9375
350 3DOO SKM 10.9375
351 4ZV1 ARG 10.9375
352 2BP1 FLC 10.9375
353 5X7Q GLC GLC GLC GLC GLC 10.9375
354 3E85 BSU 10.9375
355 2GWH PCI 10.9375
356 2FCU AKG 10.9375
357 6EOZ 58K 10.9375
358 3E8N ATP 10.9375
359 3E8N VRA 10.9375
360 2J4D MHF 10.9375
361 5IH9 6BF 11.0448
362 43CA NPO 11.5044
363 3ZXE PGZ 11.7188
364 1ZHX HC3 11.7188
365 5GLT BGC GAL NAG GAL 11.7188
366 5LIA 6XN 11.7188
367 1PS9 FAD 11.7188
368 1IT7 GUN 11.7188
369 1WUB OTP 12.3596
370 2BYC FMN 12.5
371 1LSH PLD 12.5
372 4XAC AKG 12.5
373 4NW6 2NS 12.5
374 4QDF 30Q 12.5
375 1VR0 3SL 12.5
376 5VX9 FUC GAL NAG GAL BGC 12.5
377 3SAO DBH 13.2812
378 4XCB AKG 13.2812
379 3CBC DBS 13.2812
380 4M26 AKG 13.2812
381 5HCY 60D 13.2812
382 3FW4 CAQ 13.2812
383 4JWK CTN 13.2812
384 5KJW 53C 13.2812
385 3O94 NCA 13.2812
386 5TBM 79A 13.913
387 1SGJ OAA 14.0625
388 3CF6 SP1 14.0625
389 5OSW DIU 14.0625
390 4OCT AKG 14.0625
391 3B6R ADP 14.0625
392 3HSS MLA 14.0625
393 2QL9 CIT 14.433
394 6GNO XDI 14.8438
395 5UGH 8AJ 14.8438
396 2HFK E4H 15.625
397 5Y1G AKB 15.625
398 5Y1G NAD 15.625
399 2Y69 CHD 16.25
400 6A0S NDP 16.4062
401 2AL2 PEP 16.4062
402 3I4X DST 16.4062
403 4CFS HQD 16.4062
404 1OGX EQU 17.1875
405 1PNF NDG NAG 17.1875
406 6ESN BWE 17.1875
407 1OCU PIB 17.9688
408 4UAL 3FV 17.9688
409 1ZGS XMM 17.9688
410 4WGF HX2 18.75
411 5LUN OGA 20.3125
412 2Z3U CRR 21.0938
413 5W97 CHD 22.0339
414 5Z84 CHD 22.0339
415 5ZCO CHD 22.0339
416 5ZCO PGV 22.0339
417 2AG4 LP3 22.6562
418 2AG4 OLA 22.6562
419 4QXB OGA 23.4375
420 4UMX VVS 23.4375
421 4UMX NAP 23.4375
422 3ZDS HQ9 24.2188
423 3ZDS M8O 24.2188
424 5HCN DAO 25
425 3MI3 LYS 25.7812
426 4FFG 0U8 28.125
427 4Z3E GAL NGA GLA BGC GAL 28.9062
428 4WN5 MVC 37.3913
429 4WUJ FMN 44.5312
430 5SVV FMN 46.0938
431 2Z6D FMN 46.875
432 4HIA FMN 46.875
433 3IS2 FAD 47.6562
434 6GG9 FMN 47.6562
435 3D72 FAD 48.4375
Pocket No.: 2; Query (leader) PDB : 3T50; Ligand: FMN; Similar sites found with APoc: 113
This union binding pocket(no: 2) in the query (biounit: 3t50.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5F6U 5VK None
2 5NLD LBT None
3 2GJ5 VD3 None
4 3NV3 GAL NAG MAN None
5 1TZD ADP None
6 1MT1 AG2 None
7 4NS0 PIO None
8 3ITA AIC None
9 5TZ6 7OD None
10 3PGU OLA None
11 1M5W DXP None
12 1UYY BGC BGC None
13 1N5S ADL None
14 6FA4 D1W None
15 1UO4 PIH None
16 5G48 1FL None
17 2EV9 SKM 1.5625
18 3BRN SRO 2.34375
19 3VV1 GAL FUC 2.34375
20 5AZC PGT 2.34375
21 5V1B 8UY 2.34375
22 3O5N BR0 2.67857
23 3N9P OGA 3.125
24 2R0H CTO 3.125
25 4CSD MFU 3.125
26 2Y7P SAL 3.125
27 2BSA FAD 3.125
28 2BSA NAP 3.125
29 5FQK 6NT 3.125
30 3HP9 CF1 3.90625
31 1OIK AKG 3.90625
32 2VQ5 HBA 3.90625
33 5NI5 8YB 3.90625
34 3L5R 47X 4.09836
35 6CZI 38E 4.46429
36 3WV6 GAL GLC 4.6875
37 1ZM1 BGC BGC BGC 4.6875
38 4S00 AKR 4.6875
39 5NBP BGC BGC BGC 4.6875
40 4OMJ 2TX 4.6875
41 4TV1 36M 4.6875
42 5FXD H7Y 4.6875
43 3WV6 GAL BGC 4.6875
44 4D52 GXL 4.6875
45 2QZO KN1 4.6875
46 4D4U FUC GAL NAG 4.6875
47 3WUC GLC GAL 4.6875
48 2BJ4 OHT 4.6875
49 5N7O 69Y 4.6875
50 5NG7 SER 4.6875
51 6CB2 OLC 4.77816
52 3ZH4 FLC 5.46875
53 3FUR Z12 5.46875
54 3KV5 OGA 5.46875
55 3W9F I3P 5.46875
56 2JC9 ADN 5.46875
57 3RGZ BLD 5.46875
58 3T03 3T0 5.46875
59 3I8T LBT 5.46875
60 6G5J EM8 5.46875
61 6A56 LAT 5.46875
62 1TW4 CHD 5.6
63 3S0E EOL 5.88235
64 2AIB ERG 6.12245
65 6A63 LAT 6.25
66 5B4B LP5 6.25
67 2NNQ T4B 6.25
68 5T7I LAT NAG GAL 6.25
69 5X8Q 82R 6.25
70 5NTW 98N 6.25
71 3VKX T3 7.03125
72 5CX6 CDP 7.03125
73 4MNP SLB 7.03125
74 6BXL SAM 7.03125
75 2F01 BTQ 7.08661
76 2F01 BTN 7.08661
77 4YV5 SVR 7.8125
78 4KYS VIB 7.8125
79 5FS0 5JC 7.8125
80 1W6O LAT 8.59375
81 3A51 VDY 8.59375
82 1GZW GAL BGC 8.59375
83 5H06 MAL 8.59375
84 5ECP ATP 8.59375
85 3K8D KDO 8.59375
86 5LXT GTP 9.375
87 5EYP LOC 9.375
88 3NZ1 3NY 9.96169
89 4B0T ADP 10.1562
90 3GE7 AFQ 10.1562
91 5YSQ INS 10.1562
92 4CQE CQE 10.1562
93 2D6M LBT 10.9375
94 4UBS DIF 10.9375
95 3G08 FEE 10.9375
96 2YMZ LAT 11.5385
97 1Y7P RIP 11.7188
98 1NVM OXL 11.7188
99 5FLJ QUE 11.7188
100 2VDJ HSE 12.5
101 3SAO NKN 13.2812
102 4UWJ 7L5 13.2812
103 4UWJ MYA 13.2812
104 1GYM MYG 14.0625
105 4NPL AKG 14.8438
106 1ZZ7 S0H 14.8438
107 5LXB 7A9 15.625
108 3GFZ FMN 15.625
109 5MZI FYK 15.625
110 5MZI FAD 15.625
111 4YHY M3L 15.625
112 1C9K 5GP 17.9688
113 5IHE D5M 25
114 4J26 EST 50
Pocket No.: 3; Query (leader) PDB : 3T50; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3t50.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3T50; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3t50.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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