Receptor
PDB id Resolution Class Description Source Keywords
2V0U 1.4 Å NON-ENZYME: OTHER N- AND C-TERMINAL HELICES OF OAT LOV2 (404-546) ARE INVOLVED IN LIGHT-INDUCED SIGNAL TRANSDUCTION (CRYO DARK S TRUCTURE OF LOV2 (404-546)) AVENA SATIVA LOV2 KINASE TRANSFERASE ATP-BINDING AVENA SATIVA SERINE/THREONINE-PROTEIN KINASE LIGHT-INDUCED SIGNAL TRANSPHOTOTROPIN1 NUCLEOTIDE-BINDING
Ref.: N- AND C-TERMINAL FLANKING REGIONS MODULATE LIGHT-I SIGNAL TRANSDUCTION IN THE LOV2 DOMAIN OF THE BLUE SENSOR PHOTOTROPIN 1 FROM AVENA SATIVA. BIOCHEMISTRY V. 46 14001 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:1547;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
GOL A:1548;
A:1549;
A:1550;
A:1551;
A:1552;
A:1553;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V0U 1.4 Å NON-ENZYME: OTHER N- AND C-TERMINAL HELICES OF OAT LOV2 (404-546) ARE INVOLVED IN LIGHT-INDUCED SIGNAL TRANSDUCTION (CRYO DARK S TRUCTURE OF LOV2 (404-546)) AVENA SATIVA LOV2 KINASE TRANSFERASE ATP-BINDING AVENA SATIVA SERINE/THREONINE-PROTEIN KINASE LIGHT-INDUCED SIGNAL TRANSPHOTOTROPIN1 NUCLEOTIDE-BINDING
Ref.: N- AND C-TERMINAL FLANKING REGIONS MODULATE LIGHT-I SIGNAL TRANSDUCTION IN THE LOV2 DOMAIN OF THE BLUE SENSOR PHOTOTROPIN 1 FROM AVENA SATIVA. BIOCHEMISTRY V. 46 14001 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2V0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2V0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 2PR5 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1N9L - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1N9N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3T50 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2Z6C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 2V0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 5DKK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 2Z6D - 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 : 2V0U; Ligand: FMN; Similar sites found: 116
This union binding pocket(no: 1) in the query (biounit: 2v0u.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MDC PLM 0.0006128 0.45177 None
2 1YRX FMN 0.0004255 0.44166 None
3 1LRI CLR 0.002616 0.42596 None
4 2IYG FMN 0.0005705 0.42501 None
5 2Z77 HE7 0.002864 0.41881 None
6 2X32 OTP 0.01524 0.41549 None
7 2X34 UQ8 0.01756 0.41254 None
8 2C4I BTN 0.002399 0.41155 None
9 2ARC ARA 0.0007904 0.40465 None
10 4OAS 2SW 0.01242 0.40446 None
11 5T2Z 017 0.01421 0.40056 None
12 2HFN FMN 0.0008209 0.44448 2.05479
13 3VV5 SLZ 0.007279 0.41854 2.73973
14 1EPB REA 0.004698 0.41501 2.73973
15 5MKG C2E 0.007488 0.40742 2.73973
16 1VJY 460 0.01564 0.40112 2.73973
17 5A5W GUO 0.003967 0.43752 3.42466
18 2X4Z X4Z 0.00399 0.43066 3.42466
19 3RGA LSB 0.001194 0.42181 3.42466
20 2GJ5 VD3 0.01017 0.41533 3.42466
21 4QXB OGA 0.0004959 0.40825 3.42466
22 3D91 REM 0.03594 0.40654 3.42466
23 2JLD AG1 0.01436 0.40399 3.42466
24 3PUR 2HG 0.0002736 0.40146 3.42466
25 4XTX 590 0.0006515 0.46239 4.10959
26 3WYJ H78 0.005419 0.44838 4.10959
27 5MZI FYK 0.02253 0.41597 4.10959
28 5MZI FAD 0.02186 0.41597 4.10959
29 5DQ8 FLF 0.005364 0.41224 4.10959
30 2RH4 EMO 0.02426 0.40581 4.10959
31 5VAD 91Y 0.01288 0.40498 4.10959
32 3E9I XAH 0.01434 0.40037 4.10959
33 1U6R ADP 0.002707 0.41329 4.79452
34 4UAL 3FV 0.003114 0.4118 4.79452
35 4XV1 904 0.01045 0.41033 4.79452
36 2Z7I 742 0.03728 0.40867 4.79452
37 4CQE CQE 0.01475 0.40783 4.79452
38 4ZOM 4Q3 0.01654 0.40653 4.79452
39 5HES 032 0.00777 0.40352 4.79452
40 4QMN DB8 0.01682 0.40308 4.79452
41 4WOE ADP 0.01096 0.40009 4.79452
42 4TW7 37K 0.01162 0.40041 5.46875
43 1GQG DCD 0.001256 0.43627 5.47945
44 2CHG ANP 0.001661 0.43099 5.47945
45 3T4L ZEA 0.001282 0.42668 5.47945
46 4G31 0WH 0.004907 0.42532 5.47945
47 1XAP TTB 0.004784 0.40918 5.47945
48 1NAA 6FA 0.01996 0.40821 5.47945
49 1NAA ABL 0.02773 0.40821 5.47945
50 1PS9 FAD 0.01918 0.40728 5.47945
51 5DRB 5FJ 0.0226 0.40564 5.47945
52 3TEG DAH 0.007498 0.4025 5.47945
53 5G3N X28 0.007537 0.4024 5.51181
54 4BJ8 BTN 0.00492 0.40012 5.55556
55 4JH6 FCN 0.004432 0.43376 5.7971
56 3KMZ EQO 0.001214 0.44403 6.16438
57 4DQ2 BTX 0.003157 0.43004 6.16438
58 5D48 L96 0.003762 0.42222 6.16438
59 2DXU BT5 0.005659 0.42124 6.16438
60 2QZZ EMF 0.01336 0.41186 6.16438
61 2QZZ NAP 0.01416 0.40969 6.16438
62 5K13 6Q7 0.005914 0.40699 6.16438
63 4BVA T3 0.002216 0.44824 6.84932
64 1DZK PRZ 0.001728 0.43452 6.84932
65 1QY1 PRZ 0.00148 0.43316 6.84932
66 1ERB ETR 0.008671 0.40753 6.84932
67 4GJ3 0XP 0.01448 0.40144 6.84932
68 4KBA 1QM 0.01421 0.40056 6.84932
69 3EW2 BTN 0.001384 0.40689 7.40741
70 5LOF 70R 0.0137 0.40127 7.53425
71 5U98 1KX 0.02734 0.41053 8.08081
72 4H07 IPH 0.009487 0.40849 8.21918
73 1AUA BOG 0.0239 0.40154 8.21918
74 4BG4 ADP 0.001008 0.4309 8.90411
75 1M15 ADP 0.003177 0.43518 9.58904
76 1M15 ARG 0.003177 0.43518 9.58904
77 4WHZ 3NL 0.009887 0.42445 9.58904
78 1B7Y FYA 0.004042 0.42084 9.58904
79 3T58 FAD 0.007009 0.41574 9.58904
80 2C9O ADP 0.003867 0.41318 9.58904
81 4YDQ HFG 0.03113 0.4029 9.58904
82 4YDQ ANP 0.03223 0.4029 9.58904
83 3SXF BK5 0.007367 0.41845 10.274
84 3AYI FAD 0.03271 0.40401 10.274
85 4YZC STU 0.01773 0.40308 10.274
86 3V66 D3A 0.02462 0.40034 10.274
87 1MV8 GDX 0.009918 0.40201 10.9589
88 4JNJ BTN 0.003976 0.42235 11.3043
89 5MBC FMN 0.0004927 0.44047 11.6438
90 3TKI S25 0.01031 0.42683 11.6438
91 4CS4 AXZ 0.0177 0.41069 11.6438
92 2J3M PRI 0.007734 0.40524 11.6438
93 2GC0 PAN 0.001798 0.41998 12.3288
94 2LBD REA 0.005921 0.41194 12.3288
95 4OYA 1VE 0.0338 0.40848 12.3288
96 1FCZ 156 0.008037 0.4045 12.3288
97 2XMY CDK 0.04076 0.40442 12.3288
98 1SR7 MOF 0.01354 0.40399 13.0137
99 3E7O 35F 0.01379 0.40363 13.0137
100 1X0P FAD 0.0003894 0.43833 13.2867
101 5EOB 5QQ 0.03262 0.40336 13.6986
102 1KGI T4A 0.004402 0.41601 14.1732
103 1GT4 UNA 0.004277 0.40053 14.3836
104 5HCY 60D 0.005821 0.43171 15.0685
105 5DEY 59T 0.01241 0.42296 17.1233
106 1W6P NDG GAL 0.005402 0.42799 17.1642
107 4Z28 BTN 0.001692 0.40159 17.1642
108 1ZOY UQ1 0.002993 0.45333 17.8082
109 2HK5 1BM 0.00693 0.40221 19.1781
110 3DLG GWE 0.01397 0.42684 21.9178
111 3G9E RO7 0.01179 0.40908 30.137
112 3EWK FAD 0.00001802 0.51134 31.5068
113 3P7N FMN 0.0000000000001407 0.85926 41.0959
114 4WUJ FMN 0.0000000000003302 0.84336 41.7808
115 4R38 RBF 0.000000000002083 0.81345 45
116 2GJ3 FAD 0.0000001222 0.6044 45
117 4GCZ FMN 0.00000000000001765 0.89791 50
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