Receptor
PDB id Resolution Class Description Source Keywords
2CCC 1.7 Å NON-ENZYME: OTHER COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS HALOBACTERIUM SALINARUM FLAVOPROTEIN
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:104;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
LFN A:1067;
 Valid;
 none;
 Kd = 17.57 nM
256.26 C13 H12 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:103;
 Invalid;
 none;
 submit data
22.99 Na [Na+]
SO4 A:1068;
 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: LFN; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 LFN 1 1
2 RBF 0.513889 0.712121
3 FMN 0.475 0.643836
4 C3F 0.473684 0.723077
5 CF4 0.461538 0.712121
Similar Ligands (3D)
Ligand no: 1; Ligand: LFN; Similar ligands found: 323
No: Ligand Similarity coefficient
1 LUM 0.9881
2 NRA 0.9611
3 1DR 0.9554
4 EMO 0.9505
5 ZSP 0.9479
6 H4B 0.9466
7 PRL 0.9391
8 DNQ 0.9389
9 JRO 0.9365
10 3J8 0.9330
11 9TF 0.9294
12 8SK 0.9292
13 2WU 0.9285
14 CNI 0.9271
15 2J1 0.9265
16 S98 0.9260
17 FQX 0.9238
18 1EL 0.9232
19 2QU 0.9221
20 TXQ 0.9217
21 S60 0.9215
22 THA 0.9212
23 6QF 0.9208
24 E1K 0.9205
25 IQZ 0.9202
26 ANC 0.9201
27 DX2 0.9196
28 GEN 0.9189
29 M3F 0.9184
30 BIO 0.9173
31 X2M 0.9171
32 CZ0 0.9167
33 6FB 0.9166
34 N0Z 0.9165
35 HRD 0.9157
36 Q0K 0.9157
37 VUP 0.9150
38 II4 0.9150
39 JWS 0.9148
40 ITE 0.9145
41 0SY 0.9144
42 BGU 0.9141
43 AP6 0.9130
44 ANF 0.9113
45 5AD 0.9112
46 AA 0.9109
47 537 0.9106
48 5NN 0.9104
49 ZRK 0.9102
50 DPT 0.9099
51 5V7 0.9096
52 5E5 0.9090
53 HBI 0.9086
54 EQU 0.9079
55 Z21 0.9078
56 RHN 0.9072
57 EAE 0.9071
58 8MO 0.9067
59 19E 0.9065
60 HRM 0.9055
61 5TY 0.9050
62 DX7 0.9049
63 5OR 0.9048
64 9CE 0.9042
65 1YL 0.9041
66 PIQ 0.9035
67 PK3 0.9029
68 H70 0.9020
69 EES 0.9019
70 WS6 0.9017
71 18E 0.9009
72 WS7 0.9008
73 344 0.9002
74 F40 0.9001
75 OLU 0.9000
76 6TJ 0.8997
77 5WT 0.8994
78 CUE 0.8993
79 NKI 0.8993
80 IA2 0.8992
81 IDZ 0.8989
82 4CN 0.8976
83 IXM 0.8967
84 RGK 0.8966
85 JF8 0.8965
86 E2Q 0.8964
87 3WL 0.8963
88 EST 0.8962
89 UAY 0.8960
90 B56 0.8959
91 CX6 0.8959
92 2K8 0.8955
93 2JK 0.8955
94 NEU 0.8954
95 5XL 0.8949
96 2MQ 0.8945
97 CHQ 0.8944
98 HHS 0.8939
99 0NJ 0.8939
100 27M 0.8938
101 MFR 0.8931
102 HNT 0.8928
103 ZRL 0.8928
104 6ZE 0.8927
105 NDD 0.8923
106 B61 0.8922
107 JY4 0.8918
108 JTA 0.8914
109 WLH 0.8912
110 68A 0.8911
111 QIV 0.8906
112 2GQ 0.8906
113 MR6 0.8905
114 MR4 0.8905
115 1V1 0.8905
116 OA4 0.8900
117 39Z 0.8900
118 NOM 0.8900
119 GNV 0.8898
120 A73 0.8898
121 1V3 0.8898
122 20D 0.8895
123 DFL 0.8893
124 DT7 0.8891
125 GNG 0.8890
126 30G 0.8890
127 6ZW 0.8889
128 AQN 0.8888
129 DXK 0.8888
130 3GX 0.8888
131 BIK 0.8888
132 TCR 0.8888
133 K7H 0.8887
134 DRG 0.8885
135 AN3 0.8884
136 HWB 0.8879
137 AMR 0.8877
138 0UL 0.8873
139 BMZ 0.8872
140 3Y7 0.8869
141 CR4 0.8868
142 LL1 0.8867
143 0FR 0.8867
144 ZHA 0.8862
145 W8L 0.8860
146 GNM 0.8857
147 CDJ 0.8854
148 TIY 0.8853
149 KLV 0.8849
150 WUB 0.8849
151 BA5 0.8848
152 J3Z 0.8847
153 9KZ 0.8847
154 BHS 0.8847
155 A5Q 0.8845
156 3D1 0.8842
157 7AP 0.8840
158 YE7 0.8837
159 X48 0.8837
160 4AB 0.8836
161 S0D 0.8835
162 BRY 0.8828
163 ADL 0.8824
164 120 0.8823
165 M3W 0.8819
166 XCG 0.8819
167 NYJ 0.8816
168 79X 0.8816
169 MNY 0.8816
170 2QV 0.8814
171 697 0.8812
172 0DF 0.8812
173 XYP XYP 0.8805
174 1FL 0.8805
175 25F 0.8804
176 E9L 0.8803
177 H2W 0.8802
178 QUE 0.8802
179 ASD 0.8801
180 BPY 0.8798
181 3D8 0.8797
182 5VU 0.8795
183 3QV 0.8795
184 H2B 0.8795
185 8G6 0.8794
186 5SJ 0.8792
187 2PV 0.8790
188 272 0.8788
189 RDT 0.8788
190 P4T 0.8783
191 6BK 0.8781
192 REF 0.8779
193 1V8 0.8778
194 KMP 0.8778
195 TMG 0.8777
196 1V4 0.8776
197 8M5 0.8775
198 LOT 0.8774
199 AZN 0.8772
200 A63 0.8772
201 NEO 0.8769
202 N91 0.8768
203 X0U 0.8768
204 4AU 0.8766
205 833 0.8763
206 WG8 0.8763
207 26C 0.8759
208 DK1 0.8759
209 MNX 0.8758
210 WV7 0.8757
211 DHT 0.8755
212 H32 0.8754
213 2PK 0.8753
214 XTS 0.8753
215 801 0.8749
216 H5B 0.8748
217 1WO 0.8748
218 KF5 0.8746
219 YZ9 0.8745
220 K44 0.8742
221 R18 0.8740
222 AGI 0.8740
223 B52 0.8740
224 PE2 0.8740
225 1HN 0.8739
226 DNA 0.8737
227 041 0.8736
228 3VX 0.8734
229 4HG 0.8731
230 JP2 0.8729
231 P4L 0.8725
232 ESZ 0.8723
233 3L1 0.8723
234 SZ5 0.8721
235 GNY 0.8721
236 3VQ 0.8721
237 V1T 0.8720
238 HNA 0.8720
239 5SD 0.8719
240 38E 0.8718
241 MR5 0.8716
242 TES 0.8716
243 BZJ 0.8715
244 397 0.8711
245 XM5 0.8710
246 CL9 0.8709
247 2P3 0.8709
248 DT9 0.8707
249 92O 0.8707
250 FF2 0.8705
251 5GV 0.8705
252 VT3 0.8704
253 113 0.8703
254 CKA 0.8700
255 6VW 0.8700
256 GJP 0.8700
257 FNT 0.8698
258 LU2 0.8694
259 96U 0.8690
260 OTA 0.8687
261 2D2 0.8683
262 A9B 0.8680
263 Y3L 0.8679
264 KMY 0.8679
265 RSV 0.8675
266 OAL 0.8675
267 9OF 0.8674
268 4RU 0.8673
269 47V 0.8670
270 3F4 0.8670
271 COL 0.8664
272 78Y 0.8663
273 121 0.8662
274 FXE 0.8660
275 124 0.8660
276 8DA 0.8658
277 ESR 0.8656
278 4I8 0.8656
279 1XS 0.8655
280 1QV 0.8654
281 2AN 0.8654
282 ZYR 0.8654
283 3VS 0.8653
284 17M 0.8650
285 4KL 0.8649
286 CC6 0.8648
287 E6Q 0.8647
288 BJ4 0.8637
289 GLC GAL 0.8636
290 FYR 0.8635
291 AOX 0.8631
292 HH6 0.8630
293 AJY 0.8630
294 X11 0.8630
295 AH6 0.8630
296 3Q0 0.8628
297 ADN 0.8624
298 MD6 0.8621
299 F5C 0.8618
300 363 0.8613
301 AO 0.8608
302 O9T 0.8607
303 PEY 0.8605
304 SGW 0.8604
305 HFT 0.8602
306 K25 0.8602
307 M78 0.8599
308 1ZC 0.8599
309 IIH 0.8597
310 7FZ 0.8597
311 C4E 0.8592
312 62D 0.8589
313 U13 0.8583
314 609 0.8582
315 ESL 0.8580
316 THM 0.8561
317 34L 0.8559
318 B21 0.8557
319 4UM 0.8555
320 DBQ 0.8550
321 ALR 0.8540
322 1YE 0.8538
323 AOM 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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