Receptor
PDB id Resolution Class Description Source Keywords
2cc6 1.27 Å NON-ENZYME: OTHER COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS HALOBACTERIUM SALINARUM FLAVOPROTEIN FLAVIN FLAVIN-LIKE LIGANDS
Ref.: DODECINS: A FAMILY OF LUMICHROME BINDING PROTEINS. J.MOL.BIOL. V. 357 842 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:105;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
LUM A:1068;
 Valid;
 none;
 Kd = 9.88 nM
242.233 C12 H10 N4 O2 Cc1cc...
MG A:102;
A:1066;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
NA A:104;
 Invalid;
 none;
 submit data
22.99 Na [Na+]
SO4 A:1067;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CC6 1.27 Å NON-ENZYME: OTHER COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS HALOBACTERIUM SALINARUM FLAVOPROTEIN FLAVIN FLAVIN-LIKE LIGANDS
Ref.: DODECINS: A FAMILY OF LUMICHROME BINDING PROTEINS. J.MOL.BIOL. V. 357 842 2006
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2CC7 Kd = 9.88 nM LUM C12 H10 N4 O2 Cc1cc2c(cc....
2 2CCB Kd = 35.76 nM RBF C17 H20 N4 O6 Cc1cc2c(cc....
3 2CCC Kd = 17.57 nM LFN C13 H12 N4 O2 Cc1cc2c(cc....
4 2VX9 - RBF C17 H20 N4 O6 Cc1cc2c(cc....
5 2CIE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 1MOG - RBF C17 H20 N4 O6 Cc1cc2c(cc....
7 2VKG - CF4 C17 H19 N5 O4 Cc1cc2c(cc....
8 2CJC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 2CC6 Kd = 9.88 nM LUM C12 H10 N4 O2 Cc1cc2c(cc....
10 2CC8 Kd = 35.76 nM RBF C17 H20 N4 O6 Cc1cc2c(cc....
11 2VKF - CF2 C25 H26 N10 O7 Cc1cc2c(cc....
70% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2CC7 Kd = 9.88 nM LUM C12 H10 N4 O2 Cc1cc2c(cc....
2 2CCB Kd = 35.76 nM RBF C17 H20 N4 O6 Cc1cc2c(cc....
3 2CCC Kd = 17.57 nM LFN C13 H12 N4 O2 Cc1cc2c(cc....
4 2VX9 - RBF C17 H20 N4 O6 Cc1cc2c(cc....
5 2CIE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 1MOG - RBF C17 H20 N4 O6 Cc1cc2c(cc....
7 2VKG - CF4 C17 H19 N5 O4 Cc1cc2c(cc....
8 2CJC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 2CC6 Kd = 9.88 nM LUM C12 H10 N4 O2 Cc1cc2c(cc....
10 2CC8 Kd = 35.76 nM RBF C17 H20 N4 O6 Cc1cc2c(cc....
11 2VKF - CF2 C25 H26 N10 O7 Cc1cc2c(cc....
12 4B2H - C3F C16 H17 N5 O4 Cc1cc2c(cc....
13 4B2J - RBF C17 H20 N4 O6 Cc1cc2c(cc....
14 4B2M - RBF C17 H20 N4 O6 Cc1cc2c(cc....
15 4B2K - RBF C17 H20 N4 O6 Cc1cc2c(cc....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2CC7 Kd = 9.88 nM LUM C12 H10 N4 O2 Cc1cc2c(cc....
2 2CCB Kd = 35.76 nM RBF C17 H20 N4 O6 Cc1cc2c(cc....
3 2CCC Kd = 17.57 nM LFN C13 H12 N4 O2 Cc1cc2c(cc....
4 2VX9 - RBF C17 H20 N4 O6 Cc1cc2c(cc....
5 2CIE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 1MOG - RBF C17 H20 N4 O6 Cc1cc2c(cc....
7 2VKG - CF4 C17 H19 N5 O4 Cc1cc2c(cc....
8 2CJC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 2CC6 Kd = 9.88 nM LUM C12 H10 N4 O2 Cc1cc2c(cc....
10 2CC8 Kd = 35.76 nM RBF C17 H20 N4 O6 Cc1cc2c(cc....
11 2VKF - CF2 C25 H26 N10 O7 Cc1cc2c(cc....
12 2YIZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 4B2H - C3F C16 H17 N5 O4 Cc1cc2c(cc....
14 4B2J - RBF C17 H20 N4 O6 Cc1cc2c(cc....
15 4B2M - RBF C17 H20 N4 O6 Cc1cc2c(cc....
16 4B2K - RBF C17 H20 N4 O6 Cc1cc2c(cc....
17 2V21 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 2UX9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LUM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 LUM 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: LUM; Similar ligands found: 482
No: Ligand Similarity coefficient
1 LFN 0.9881
2 NRA 0.9800
3 1DR 0.9641
4 PRL 0.9638
5 2WU 0.9566
6 ZSP 0.9559
7 DNQ 0.9550
8 CNI 0.9547
9 H4B 0.9546
10 S98 0.9534
11 FQX 0.9507
12 JRO 0.9501
13 ZRK 0.9472
14 0SY 0.9456
15 2J1 0.9454
16 6FB 0.9444
17 BGU 0.9420
18 S60 0.9414
19 CX6 0.9397
20 ITE 0.9396
21 2QU 0.9392
22 28A 0.9387
23 6QF 0.9362
24 ANC 0.9352
25 HRD 0.9341
26 MR6 0.9336
27 IDZ 0.9315
28 9CE 0.9313
29 5WT 0.9305
30 0NJ 0.9304
31 L2K 0.9304
32 HRM 0.9298
33 II4 0.9292
34 EMO 0.9287
35 5E5 0.9279
36 JF8 0.9278
37 DX7 0.9277
38 344 0.9268
39 MR4 0.9256
40 NKI 0.9254
41 OLU 0.9245
42 0UL 0.9234
43 27M 0.9230
44 RGK 0.9223
45 ZRL 0.9221
46 F40 0.9213
47 KLV 0.9206
48 5AD 0.9206
49 CZ0 0.9205
50 A73 0.9200
51 4CN 0.9199
52 1V1 0.9197
53 20D 0.9191
54 6TJ 0.9187
55 5TY 0.9183
56 N0Z 0.9182
57 DFL 0.9174
58 9JT 0.9169
59 NEU 0.9168
60 UAY 0.9168
61 WLH 0.9164
62 QIV 0.9162
63 833 0.9160
64 6BK 0.9157
65 X2M 0.9157
66 GEN 0.9153
67 S0D 0.9149
68 Q0K 0.9146
69 697 0.9143
70 JWS 0.9143
71 3D8 0.9139
72 JTA 0.9136
73 ZHA 0.9136
74 1EL 0.9133
75 WS7 0.9130
76 1V8 0.9124
77 MR5 0.9121
78 3J8 0.9120
79 GNV 0.9117
80 XCG 0.9116
81 1XS 0.9113
82 2D2 0.9111
83 A5Q 0.9110
84 4FF 0.9104
85 9TF 0.9102
86 AN3 0.9100
87 IA2 0.9100
88 8SK 0.9099
89 X48 0.9099
90 WS6 0.9098
91 25F 0.9097
92 4AU 0.9097
93 47V 0.9096
94 041 0.9094
95 A63 0.9093
96 1YL 0.9092
97 DPT 0.9090
98 BMZ 0.9085
99 DXK 0.9084
100 K7H 0.9081
101 272 0.9081
102 VUP 0.9081
103 08C 0.9079
104 CR4 0.9072
105 BIO 0.9070
106 6ZW 0.9069
107 1V3 0.9064
108 BIK 0.9064
109 3D1 0.9060
110 PIQ 0.9058
111 3Y7 0.9056
112 18E 0.9055
113 DT7 0.9054
114 2PV 0.9052
115 62D 0.9051
116 5VU 0.9050
117 XYP XYP 0.9050
118 LR8 0.9050
119 3QV 0.9049
120 78Y 0.9049
121 397 0.9046
122 TMG 0.9044
123 3VX 0.9043
124 HNT 0.9043
125 7AP 0.9042
126 LOT 0.9041
127 0FR 0.9040
128 8M5 0.9040
129 NDD 0.9039
130 1V4 0.9036
131 YE7 0.9029
132 6ZE 0.9029
133 4GU 0.9028
134 P4L 0.9026
135 4AB 0.9026
136 121 0.9026
137 DX2 0.9026
138 N91 0.9023
139 SZ5 0.9020
140 THA 0.9019
141 Y3L 0.9017
142 P4T 0.9016
143 M3F 0.9015
144 57D 0.9015
145 MUK 0.9014
146 FF2 0.9013
147 NEO 0.9011
148 38E 0.9010
149 5V7 0.9010
150 2PK 0.9008
151 X0U 0.9008
152 E1K 0.9007
153 TCR 0.9006
154 AP6 0.9005
155 97K 0.9005
156 AJG 0.9001
157 LR2 0.8999
158 ANF 0.8995
159 5NN 0.8993
160 68A 0.8992
161 BHS 0.8991
162 120 0.8990
163 FHV 0.8989
164 H32 0.8988
165 BP7 0.8988
166 HHS 0.8983
167 A05 0.8982
168 A5H 0.8980
169 801 0.8980
170 TXQ 0.8978
171 Z21 0.8972
172 H70 0.8970
173 124 0.8970
174 EQU 0.8969
175 G2V 0.8968
176 3F4 0.8966
177 4ZF 0.8965
178 HBI 0.8963
179 BPY 0.8962
180 WUB 0.8960
181 IQZ 0.8960
182 JP2 0.8958
183 5OR 0.8957
184 AA 0.8956
185 F18 0.8955
186 U13 0.8953
187 2K8 0.8953
188 19E 0.8949
189 J3Z 0.8949
190 LL1 0.8948
191 3VQ 0.8948
192 RHN 0.8948
193 CUE 0.8945
194 EST 0.8945
195 H2B 0.8941
196 AGI 0.8941
197 J1K 0.8936
198 BBY 0.8936
199 3R4 0.8936
200 3GX 0.8933
201 IXM 0.8928
202 4HG 0.8926
203 VC3 0.8926
204 HH6 0.8925
205 338 0.8922
206 2GQ 0.8921
207 JCZ 0.8920
208 3VS 0.8919
209 GNM 0.8919
210 IIH 0.8918
211 AVX 0.8918
212 6P3 0.8918
213 8HH 0.8916
214 1UZ 0.8913
215 4UM 0.8911
216 C4E 0.8911
217 EES 0.8910
218 1FL 0.8909
219 27F 0.8908
220 39Z 0.8906
221 ZTW 0.8903
222 7FZ 0.8900
223 B21 0.8898
224 4BL 0.8894
225 3L1 0.8894
226 E3X 0.8893
227 6H2 0.8893
228 YZ9 0.8893
229 363 0.8893
230 5XL 0.8892
231 26C 0.8892
232 5SJ 0.8891
233 4BY 0.8890
234 AO 0.8887
235 5E1 0.8887
236 XYS XYP 0.8883
237 122 0.8883
238 1UT 0.8882
239 M3W 0.8879
240 2P3 0.8879
241 8G6 0.8877
242 6DQ 0.8876
243 5GV 0.8876
244 FYR 0.8874
245 7G2 0.8872
246 BRY 0.8872
247 2JX 0.8871
248 YE6 0.8870
249 CDJ 0.8869
250 BZE 0.8868
251 AH6 0.8867
252 V1T 0.8866
253 245 0.8864
254 1V0 0.8863
255 BZJ 0.8863
256 MBT 0.8861
257 GNG 0.8860
258 RDT 0.8859
259 3ZB 0.8859
260 4HB 0.8858
261 LU2 0.8857
262 3WL 0.8853
263 H2W 0.8852
264 W8L 0.8850
265 IDD 0.8849
266 MHB 0.8848
267 CHQ 0.8846
268 B61 0.8845
269 XYS XYS 0.8845
270 E9L 0.8843
271 JY4 0.8843
272 A6W 0.8842
273 549 0.8841
274 4G2 0.8840
275 NIF 0.8840
276 3Q0 0.8840
277 GNY 0.8834
278 OCZ 0.8831
279 D9Z 0.8825
280 WV7 0.8823
281 537 0.8823
282 T21 0.8822
283 M83 0.8820
284 1UR 0.8817
285 OUA 0.8817
286 MFR 0.8817
287 8NX 0.8816
288 A51 0.8814
289 U14 0.8813
290 UNJ 0.8810
291 X11 0.8810
292 DRG 0.8809
293 QUE 0.8809
294 AJY 0.8807
295 F2W 0.8805
296 2QV 0.8805
297 NAR 0.8801
298 FZM 0.8800
299 WG8 0.8800
300 OA4 0.8800
301 1FE 0.8797
302 XTS 0.8795
303 113 0.8794
304 PE2 0.8794
305 TID 0.8790
306 K44 0.8790
307 NAG 0.8790
308 6FX 0.8788
309 FNT 0.8788
310 5F8 0.8786
311 91F 0.8786
312 JG8 0.8785
313 F02 0.8783
314 OUG 0.8783
315 AOY 0.8782
316 5BX 0.8780
317 DT9 0.8780
318 A9B 0.8780
319 1ZC 0.8779
320 A8D 0.8776
321 0DF 0.8775
322 LIG 0.8771
323 IQ5 0.8771
324 UN9 0.8770
325 2MQ 0.8767
326 ODK 0.8767
327 RSV 0.8766
328 A64 0.8765
329 5SD 0.8765
330 TIY 0.8763
331 KF5 0.8762
332 6VW 0.8760
333 THM 0.8758
334 4I8 0.8756
335 7EH 0.8755
336 3MI 0.8755
337 NOM 0.8755
338 FER 0.8755
339 7FU 0.8752
340 1QV 0.8750
341 CK2 0.8749
342 O9T 0.8748
343 MXD 0.8747
344 VT3 0.8745
345 ZZA 0.8744
346 WSD 0.8743
347 8D6 0.8742
348 DHT 0.8741
349 5ER 0.8740
350 EAE 0.8740
351 KMY 0.8740
352 BA5 0.8739
353 802 0.8738
354 FSE 0.8738
355 ADL 0.8736
356 1HN 0.8734
357 JMG 0.8733
358 K3D 0.8731
359 ZEA 0.8730
360 6JM 0.8727
361 92O 0.8725
362 SQM 0.8723
363 LC1 0.8723
364 AZN 0.8722
365 3JC 0.8722
366 GJP 0.8721
367 LI7 0.8720
368 0LA 0.8719
369 GNJ 0.8719
370 L22 0.8719
371 ZEC 0.8718
372 4RU 0.8717
373 WA1 0.8716
374 PH2 0.8716
375 HFT 0.8715
376 2J2 0.8714
377 9UL 0.8712
378 AMR 0.8712
379 9KZ 0.8711
380 NU3 0.8710
381 244 0.8709
382 AQN 0.8706
383 HWB 0.8706
384 ASD 0.8703
385 ESZ 0.8701
386 PK3 0.8700
387 JAH 0.8699
388 V2Z 0.8697
389 F36 0.8696
390 BBP 0.8695
391 HC8 0.8695
392 K25 0.8690
393 5E2 0.8689
394 KLS 0.8688
395 907 0.8684
396 5WW 0.8681
397 JGB 0.8680
398 U19 0.8680
399 5S9 0.8679
400 GWD 0.8679
401 M78 0.8678
402 SDN 0.8677
403 GVY 0.8677
404 79X 0.8676
405 17M 0.8675
406 ZYQ 0.8672
407 TES 0.8672
408 QBP 0.8671
409 CL9 0.8670
410 6L6 0.8670
411 HBO 0.8670
412 GVI 0.8669
413 2JK 0.8668
414 B1J 0.8667
415 5TZ 0.8665
416 KYN 0.8664
417 4V2 0.8663
418 MT6 0.8658
419 8V8 0.8655
420 9OF 0.8655
421 N2M 0.8654
422 XM5 0.8654
423 QUG 0.8650
424 BPU 0.8650
425 334 0.8648
426 EZL 0.8648
427 AH9 0.8647
428 8MO 0.8646
429 GLC GAL 0.8646
430 L03 0.8645
431 B56 0.8644
432 RKV 0.8642
433 ENO 0.8640
434 GO2 0.8640
435 KU1 0.8632
436 GJK 0.8627
437 JBZ 0.8626
438 2FX 0.8623
439 8NB 0.8623
440 Q9T 0.8622
441 609 0.8621
442 0LO 0.8620
443 54X 0.8620
444 2PW 0.8619
445 KMP 0.8617
446 EN1 0.8616
447 5GT 0.8616
448 FT2 0.8614
449 P9I 0.8614
450 F5C 0.8612
451 ESL 0.8610
452 IK1 0.8610
453 6QT 0.8609
454 28B 0.8609
455 E6Q 0.8604
456 BMA BMA 0.8603
457 AOX 0.8600
458 ESJ 0.8600
459 6KT 0.8598
460 DX8 0.8596
461 4FE 0.8594
462 ZIP 0.8590
463 ZYR 0.8590
464 E1T 0.8587
465 J38 0.8576
466 6JO 0.8574
467 MNY 0.8571
468 1AJ 0.8570
469 AOM 0.8570
470 15E 0.8565
471 MD6 0.8563
472 TR4 0.8560
473 DBQ 0.8560
474 9CA 0.8555
475 ADN 0.8554
476 2QC 0.8552
477 1IT 0.8547
478 XI7 0.8545
479 ESR 0.8542
480 0FK 0.8538
481 MNX 0.8532
482 SGW 0.8530
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CC6; Ligand: LUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2cc6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2CC6; Ligand: LUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2cc6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2CC6; Ligand: LUM; 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: 2cc6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2CC6; Ligand: LUM; 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: 2cc6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2CC6; Ligand: LUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2cc6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2CC6; Ligand: LUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2cc6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2CC6; Ligand: LUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2cc6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2CC6; Ligand: LUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2cc6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2CC6; Ligand: LUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2cc6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2CC6; Ligand: LUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2cc6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2CC6; Ligand: LUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 2cc6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2CC6; Ligand: LUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 2cc6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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