Receptor
PDB id Resolution Class Description Source Keywords
4EES 1.8 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF ILOV ARABIDOPSIS THALIANA LOV BLUE LIGHT PHOTORECEPTOR SIGNALING PROTEIN FLAVOPROTE
Ref.: STRUCTURAL TUNING OF THE FLUORESCENT PROTEIN ILOV F IMPROVED PHOTOSTABILITY. J.BIOL.CHEM. V. 287 22295 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:1001;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EES 1.8 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF ILOV ARABIDOPSIS THALIANA LOV BLUE LIGHT PHOTORECEPTOR SIGNALING PROTEIN FLAVOPROTE
Ref.: STRUCTURAL TUNING OF THE FLUORESCENT PROTEIN ILOV F IMPROVED PHOTOSTABILITY. J.BIOL.CHEM. V. 287 22295 2012
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 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....
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 : 4EES; Ligand: FMN; Similar sites found: 131
This union binding pocket(no: 1) in the query (biounit: 4ees.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.00348 0.45926 None
2 3KP6 SAL 0.00996 0.44254 None
3 1DZK PRZ 0.00132 0.44183 None
4 1MDC PLM 0.001052 0.43749 None
5 2GC0 PAN 0.001326 0.43741 None
6 1BHX ASP PHE GLU GLU ILE 0.007247 0.4205 None
7 5D48 L96 0.003697 0.41902 None
8 1C1L GAL BGC 0.01216 0.41873 None
9 2Z77 HE7 0.00253 0.41746 None
10 1LRI CLR 0.003505 0.41681 None
11 3T2W BTN 0.01398 0.40661 None
12 2AIB ERG 0.007544 0.40552 None
13 4Z28 BTN 0.01645 0.40316 None
14 5JNN 6LM 0.007324 0.40301 None
15 4WHZ 3NL 0.02746 0.40048 None
16 1Z6K OAA 0.009026 0.42851 1.73913
17 1UGY GLA GLC 0.009838 0.40189 1.73913
18 5F1R 42O 0.002458 0.42674 2.6087
19 2GJ5 VD3 0.0102 0.41214 2.6087
20 4GGZ BTN 0.01187 0.40605 2.6087
21 1WUB OTP 0.02221 0.40144 2.6087
22 1OVD FMN 0.0184 0.40046 2.6087
23 1EPB REA 0.001115 0.44514 3.47826
24 4N14 WR7 0.002173 0.44391 3.47826
25 4YRD 3IT 0.008935 0.41838 3.47826
26 1VJY 460 0.00862 0.40972 3.47826
27 2BYC FMN 0.0005656 0.46341 4.34783
28 1GQG DCD 0.000707 0.44488 4.34783
29 5A5W GUO 0.005765 0.42657 4.34783
30 4MNS 2AX 0.009355 0.42327 4.34783
31 1TDF NAP 0.03613 0.40889 4.34783
32 4H07 IPH 0.008397 0.40767 4.34783
33 4NAE 1GP 0.02109 0.40706 4.34783
34 1ERB ETR 0.007597 0.40684 4.34783
35 2X32 OTP 0.007142 0.4279 5.21739
36 5MBC FMN 0.0008221 0.42615 5.21739
37 1PS9 FAD 0.01193 0.41396 5.21739
38 4YZC STU 0.00891 0.41373 5.21739
39 2C9O ADP 0.004452 0.40706 5.21739
40 2QZZ EMF 0.01519 0.40626 5.21739
41 4XTX 590 0.0002764 0.40571 5.21739
42 5L2J 70E 0.03832 0.40489 5.21739
43 1X8X TYR 0.01536 0.4046 5.21739
44 2QZZ NAP 0.01711 0.40291 5.21739
45 3A6T 8OG 0.01001 0.40205 5.21739
46 3RGA LSB 0.01008 0.40192 5.21739
47 2G30 ALA ALA PHE 0.00008415 0.52045 6.08696
48 1M15 ARG 0.003904 0.42757 6.08696
49 1M15 ADP 0.003904 0.42757 6.08696
50 3B6R ADP 0.003254 0.42413 6.08696
51 4IAW LIZ 0.006811 0.42181 6.08696
52 5AIG VPR 0.01136 0.4153 6.08696
53 2XMY CDK 0.02771 0.41002 6.08696
54 1U6R ADP 0.002909 0.40627 6.08696
55 2R0D 4IP 0.02477 0.40246 6.08696
56 2Z7I 742 0.04539 0.40182 6.08696
57 2ADA HPR 0.005126 0.40014 6.08696
58 4BG4 ADP 0.001046 0.44195 6.95652
59 3I27 SID 0.00476 0.43923 6.95652
60 5IXG OTP 0.01296 0.41495 6.95652
61 3G5D 1N1 0.01702 0.4149 6.95652
62 4NS0 PIO 0.01627 0.41452 6.95652
63 3E9I XAH 0.006708 0.41199 6.95652
64 2OVW CBI 0.01537 0.40872 6.95652
65 4TWP AXI 0.03207 0.40753 6.95652
66 4L80 OXL 0.0007582 0.48589 7.82609
67 3G08 FEE 0.02961 0.4034 7.82609
68 1XJD STU 0.00485 0.4021 7.82609
69 5TVM PUT 0.01655 0.40449 8.23529
70 1QY1 PRZ 0.001161 0.43376 8.69565
71 4MGA 27L 0.01489 0.41647 8.69565
72 4O4K 2PK 0.008536 0.40013 8.69565
73 2B9I ADP 0.008737 0.4012 9.52381
74 3KV5 OGA 0.0005974 0.49023 9.56522
75 1ZOY UQ1 0.003341 0.45156 9.56522
76 4BVA T3 0.001723 0.44949 9.56522
77 4JH6 FCN 0.003303 0.44204 9.56522
78 3SXF BK5 0.008504 0.41239 9.56522
79 5IXH OTP 0.01312 0.41205 9.56522
80 4L6H HCS 0.02189 0.40522 9.56522
81 1UWK NAD 0.0256 0.40191 9.56522
82 4RW3 PLM 0.02501 0.42696 10.4348
83 5JGA 6KC 0.01198 0.40334 10.4348
84 5E89 TD2 0.01026 0.40156 10.4348
85 1XAP TTB 0.006297 0.40068 10.4348
86 3T4L ZEA 0.0003342 0.46382 11.3043
87 2Q8H TF4 0.02088 0.41472 11.3043
88 3VV5 SLZ 0.01151 0.41072 11.3043
89 3W68 VIV 0.005283 0.40746 11.3043
90 2BCG GER 0.02043 0.40253 11.3043
91 1GPE FAD 0.02321 0.40391 12.1739
92 2AGC DAO 0.02074 0.4022 12.1739
93 3RV5 DXC 0.008057 0.41923 12.3596
94 1W6P NDG GAL 0.004554 0.42779 13.0435
95 2CHG ANP 0.00342 0.41378 13.0435
96 4HEE 14R 0.005064 0.40469 13.0435
97 2Q4X HMH 0.02651 0.40348 13.0435
98 3PUR 2HG 0.000218 0.5124 13.913
99 4QXB OGA 0.0005981 0.40289 13.913
100 2B3B GLC 0.02124 0.40168 13.913
101 2B3B BGC 0.02243 0.40049 13.913
102 4FFG LBS 0.005548 0.44064 14.7826
103 1ULE GLA GAL NAG 0.006428 0.42723 14.7826
104 3KU0 ADE 0.01502 0.42103 14.7826
105 2J3M PRI 0.005369 0.40883 14.7826
106 1KGI T4A 0.00797 0.40142 14.7826
107 3KMZ EQO 0.002308 0.42949 15.6522
108 1X0P FAD 0.000595 0.42551 15.6522
109 1M2Z BOG 0.02628 0.42249 15.6522
110 4XT2 43L 0.000833 0.44183 16.5217
111 3DLG GWE 0.02898 0.40846 17.3913
112 3ZJX BOG 0.02814 0.40236 17.3913
113 4W9H 3JF 0.01441 0.40205 18.5567
114 4B9K TG0 0.02248 0.40044 18.5567
115 2IYG FMN 0.0004877 0.4717 20
116 1YRX FMN 0.0006438 0.45591 20
117 4DQ2 BTX 0.003283 0.42569 20
118 3UVD MB3 0.03217 0.40407 20
119 4J6C STR 0.01836 0.40917 21.7391
120 5HCY 60D 0.006298 0.42678 22.6087
121 3GFZ FMN 0.0008415 0.41122 23.4783
122 5C3R AKG 0.009047 0.40053 25.2174
123 5C3R HMU 0.009047 0.40053 25.2174
124 3VQ2 LP4 LP5 MYR DAO 0.005493 0.42952 26.9565
125 2HFN FMN 0.001053 0.44183 27.8261
126 4WN5 MVC 0.003048 0.41771 28.6957
127 4YNU FAD 0.02006 0.40608 35.6522
128 3EWK FAD 0.00002361 0.49789 39.1304
129 2GJ3 FAD 0.0000004633 0.56845 40
130 5SVV FMN 0.00000000000001388 0.89354 46.9565
131 4HIA FMN 0.00000000000356 0.83521 49.5652
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