Receptor
PDB id Resolution Class Description Source Keywords
5DJT 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LOV2 (C450A) DOMAIN IN COMPLEX WITH ZDK AVENA SATIVA PROTEIN BINDING PROTEIN ENGINEERING SIGNALING PROTEIN PHOLIGHT-INDUCED SIGNAL TRANSDUCTION LOV2 AFFIBODY COMPLEX
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
FMN A:602;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
CL A:603;
Invalid;
none;
submit data
35.453 Cl [Cl-]
CU A:601;
Part of Protein;
none;
submit data
63.546 Cu [Cu+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DJT 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LOV2 (C450A) DOMAIN IN COMPLEX WITH ZDK AVENA SATIVA PROTEIN BINDING PROTEIN ENGINEERING SIGNALING PROTEIN PHOLIGHT-INDUCED SIGNAL TRANSDUCTION LOV2 AFFIBODY COMPLEX
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 1256 families.
1 5DJT - 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 1068 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 922 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: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAS 0.543307 0.876543
5 FAD 0.543307 0.876543
6 FAE 0.539062 0.865854
7 DAL FAD PER 0.5 0.833333
8 LFN 0.475 0.643836
9 C3F 0.473684 0.74359
10 CF4 0.463918 0.734177
11 FAY 0.446043 0.864198
12 FNR 0.444444 0.909091
13 RFL 0.442857 0.845238
14 4LS 0.411215 0.875
15 1VY 0.406593 0.769231
16 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DJT; Ligand: FMN; Similar sites found: 138
This union binding pocket(no: 1) in the query (biounit: 5djt.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ARC ARA 0.0008737 0.46865 None
2 4WVW SLT 0.001967 0.45028 None
3 1QKQ MAN 0.0009113 0.43389 None
4 1LRI CLR 0.004639 0.41501 None
5 1Y75 NAG 0.01261 0.41124 None
6 1X8X TYR 0.01032 0.41121 None
7 2Z77 HE7 0.003531 0.40666 None
8 1PNF NDG NAG 0.02821 0.40081 None
9 5H2U 1N1 0.008417 0.40362 1.37931
10 1EPB REA 0.003016 0.42366 2.75862
11 3KP6 SAL 0.008808 0.444 3.44828
12 5ML3 DL3 0.008178 0.41973 3.44828
13 4RLT FSE 0.01298 0.40241 3.44828
14 4IMO PWZ 0.02552 0.40116 3.44828
15 2CHG ANP 0.003184 0.40341 4.13793
16 1ECM TSA 0.009371 0.41764 4.58716
17 5AIG VPR 0.01758 0.40405 4.8
18 3B6R ADP 0.003435 0.42112 4.82759
19 1U6R ADP 0.00315 0.41885 4.82759
20 4Z3E GAL NGA GLA BGC GAL 0.002664 0.45299 4.91803
21 2GBB CIT 0.009989 0.41626 4.91803
22 1L0I PSR 0.01813 0.4076 5.12821
23 4UY1 TJM 0.009539 0.40874 5.34351
24 3HP9 CF1 0.006788 0.43769 5.51724
25 3T4L ZEA 0.00122 0.43694 5.51724
26 1XAP TTB 0.003269 0.40892 5.51724
27 1PS9 FAD 0.02039 0.40603 5.51724
28 2W5P CL8 0.01577 0.41505 6.04027
29 5JSP DQY 0.008282 0.42593 6.2069
30 4CQB MLI 0.01379 0.41207 6.2069
31 4DSU BZI 0.00407 0.44408 6.55738
32 5X7Q GLC GLC GLC GLC GLC 0.007936 0.42482 6.55738
33 1DZK PRZ 0.001029 0.44462 6.89655
34 1QY1 PRZ 0.001134 0.42116 6.89655
35 2CYC TYR 0.01423 0.41555 6.89655
36 3EW2 BTN 0.00713 0.41898 7.40741
37 2LBD REA 0.005806 0.41231 7.58621
38 3CMJ SRT 0.01412 0.41128 7.58621
39 3PUR 2HG 0.0002569 0.50673 8.19672
40 3N9O OGA 0.0008328 0.48144 8.19672
41 5L2J 70E 0.03616 0.40877 8.19672
42 4KBA 1QM 0.01719 0.40453 8.19672
43 1A78 TDG 0.01589 0.40296 8.19672
44 5H9P TD2 0.02482 0.40069 8.19672
45 5JFS 6K0 0.02344 0.40041 8.19672
46 4RW3 PLM 0.02025 0.43654 8.27586
47 4RW3 IPD 0.01493 0.40758 8.27586
48 3LGG CFE 0.01183 0.40054 8.27586
49 5FUI APY 0.01371 0.41741 8.33333
50 5TSH ANP 0.007278 0.41855 9.65517
51 5U9J GER 0.002225 0.45412 9.83607
52 4FFG LBS 0.002813 0.45039 9.83607
53 4BG4 ADP 0.001027 0.44022 9.83607
54 2JIG PD2 0.007323 0.42295 9.83607
55 4L4J NAG NAG BMA MAN NAG 0.008684 0.42138 9.83607
56 1UGY GLA GLC 0.005334 0.42051 9.83607
57 5MJA 7O3 0.005656 0.41531 9.83607
58 4MMP SLB 0.007286 0.41024 9.83607
59 3VV5 SLZ 0.01131 0.40928 9.83607
60 2ADA HPR 0.006181 0.40013 9.83607
61 2BCG GER 0.01784 0.40372 10.3448
62 2AGC DAO 0.01965 0.40164 10.3448
63 5MBC FMN 0.0009978 0.44523 11.0345
64 4WOE ADP 0.001942 0.45958 11.4754
65 1MDC PLM 0.0008673 0.44518 11.4754
66 1GQG DCD 0.0008874 0.44475 11.4754
67 4GGZ BTN 0.004999 0.42197 11.4754
68 3TKI S25 0.01487 0.41918 11.4754
69 3ZJX BOG 0.01414 0.41847 11.4754
70 2HK9 SKM 0.02214 0.40583 11.4754
71 4TS1 TYR 0.02323 0.40218 11.4754
72 3WG3 A2G GAL NAG FUC 0.007198 0.43023 11.7241
73 5KJW 53C 0.01145 0.4153 12.4138
74 5X8I SQZ 0.007682 0.40918 12.4138
75 2XMY CDK 0.0362 0.40699 12.4138
76 4MGA 27L 0.01655 0.41079 13.1034
77 4YZC STU 0.01364 0.40837 13.1034
78 1SR7 MOF 0.01547 0.40135 13.1034
79 3JU6 ANP 0.004143 0.44039 13.1148
80 2GC0 PAN 0.001831 0.42919 13.1148
81 4JH6 FCN 0.006173 0.42663 13.1148
82 4D4U FUC NDG GAL FUC 0.009823 0.42624 13.1148
83 3KDU NKS 0.009077 0.41868 13.1148
84 3H0L ADP 0.01302 0.41053 13.1148
85 4L6H HCS 0.01664 0.40997 13.1148
86 4BPZ GLC BGC BGC 0.01358 0.40963 13.1148
87 4G4P GLN 0.02148 0.40392 13.1148
88 4D1J DGJ 0.02428 0.40119 13.1148
89 1KGI T4A 0.006862 0.40752 14.1732
90 3FAL REA 0.01617 0.40176 14.4828
91 1YRX FMN 0.0009545 0.44609 14.7541
92 2HFN FMN 0.001432 0.43387 14.7541
93 4XV1 904 0.008278 0.41495 14.7541
94 1SN0 T44 0.008336 0.4115 14.7541
95 2QZZ NAP 0.01377 0.41025 14.7541
96 5VLC HSO 0.01891 0.40246 14.7541
97 4JNJ BTN 0.01084 0.40228 14.7541
98 3KV4 OGA 0.003158 0.44896 16.3934
99 3SHZ 5CO 0.007032 0.41927 16.3934
100 1XJD STU 0.004542 0.40824 16.3934
101 1WBI BTN 0.008717 0.40665 16.3934
102 1T0S BML 0.007435 0.4066 16.5517
103 2YBP 2HG 0.02394 0.40416 16.5517
104 4Z28 BTN 0.001313 0.45444 17.1642
105 1W6P NDG GAL 0.007151 0.4167 17.1642
106 3OYW TDG 0.02006 0.40544 17.1642
107 4O4Z N2O 0.0259 0.40362 17.2414
108 4MRP GSH 0.007008 0.44165 18.0328
109 3IES M24 0.009007 0.41559 18.0328
110 1BHX ASP PHE GLU GLU ILE 0.008734 0.41472 18.0328
111 5XDT ZI7 0.01036 0.40406 18.0328
112 3JQ3 ADP 0.007066 0.41917 18.6207
113 4Y2B EPK 0.02365 0.40178 18.6207
114 1X0P FAD 0.0006377 0.45886 19.6721
115 1J3R 6PG 0.002407 0.44174 19.6721
116 5HES 032 0.008449 0.40024 21.3115
117 4BKS X6C 0.02278 0.4027 21.6495
118 4B9K TG0 0.02072 0.40048 21.6495
119 1XZ3 ICF 0.01029 0.44556 22.069
120 2HFK E4H 0.007731 0.4266 22.7586
121 4QXB OGA 0.0004787 0.48157 22.9508
122 2Z7I 742 0.03184 0.41211 24.5902
123 4F4P 0SB 0.02639 0.41063 24.8276
124 1SGJ OAA 0.001125 0.45684 26.2295
125 3NMV PYV 0.008151 0.40425 26.2295
126 1M2Z BOG 0.03113 0.41605 27.8689
127 1M15 ARG 0.003178 0.43518 29.5082
128 1M15 ADP 0.003178 0.43518 29.5082
129 4B0T ADP 0.009515 0.40281 29.5082
130 3FUR Z12 0.01471 0.41538 30.3448
131 3KU0 ADE 0.01202 0.42519 31.1475
132 3EWK FAD 0.00002829 0.50293 31.7241
133 1ZOY UQ1 0.002085 0.4623 32.7869
134 2GJ3 FAD 0.0000004918 0.57845 37.5
135 3P7N FMN 0.0000000000002793 0.84648 40.6897
136 4WUJ FMN 0.0000000000002423 0.84913 41.3793
137 4R38 RBF 0.0000000000019 0.78892 44.2857
138 4GCZ FMN 0.000000000000008549 0.91149 48.2759
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