Receptor
PDB id Resolution Class Description Source Keywords
2BYC 1.9 Å NON-ENZYME: OTHER BLRB - A BLUF PROTEIN, DARK STATE STRUCTURE RHODOBACTER SPHAEROIDES SIGNALING PROTEIN PHOTORECEPTOR FLAVIN
Ref.: STRUCTURE OF A BACTERIAL BLUF PHOTORECEPTOR: INSIGH BLUE LIGHT-MEDIATED SIGNAL TRANSDUCTION. PROC.NATL.ACAD.SCI.USA V. 102 12350 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:1137;
B:1632;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BYC 1.9 Å NON-ENZYME: OTHER BLRB - A BLUF PROTEIN, DARK STATE STRUCTURE RHODOBACTER SPHAEROIDES SIGNALING PROTEIN PHOTORECEPTOR FLAVIN
Ref.: STRUCTURE OF A BACTERIAL BLUF PHOTORECEPTOR: INSIGH BLUE LIGHT-MEDIATED SIGNAL TRANSDUCTION. PROC.NATL.ACAD.SCI.USA V. 102 12350 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2BYC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2BYC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2BYC - 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 : 2BYC; Ligand: FMN; Similar sites found: 90
This union binding pocket(no: 1) in the query (biounit: 2byc.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PR5 FMN 0.0002716 0.44481 None
2 3LDW ZOL 0.007704 0.42591 None
3 1DB1 VDX 0.01003 0.42156 None
4 3SAO NKN 0.003556 0.41813 None
5 2EVL GAL SPH EIC 0.03279 0.41212 None
6 2P3C 3TL 0.02113 0.41101 None
7 1SR7 MOF 0.01688 0.40936 None
8 2P3B 3TL 0.02356 0.40866 None
9 4YHQ G10 0.02647 0.40204 None
10 4G6I RS3 0.02545 0.40179 None
11 1JGS SAL 0.009148 0.43763 2.18978
12 5EOB 5QQ 0.0439 0.40554 2.18978
13 2Q8Z NUP 0.0122 0.40666 2.91971
14 1T27 PCW 0.03106 0.40629 2.91971
15 4R38 RBF 0.002304 0.43524 3.64964
16 2WKQ FMN 0.0007883 0.42662 3.64964
17 2Z7I 742 0.03123 0.42147 3.64964
18 2R5V HHH 0.002833 0.41767 3.64964
19 4KWD JF2 0.008625 0.41532 3.64964
20 4DXJ 0M9 0.01916 0.40425 3.64964
21 4EES FMN 0.0005656 0.46341 4.34783
22 4GCZ FMN 0.0002758 0.47557 4.37956
23 4ORM 2V6 0.0103 0.44504 4.37956
24 4ORM ORO 0.0103 0.44504 4.37956
25 4ORM FMN 0.0103 0.44504 4.37956
26 4OIV XX9 0.006458 0.4376 4.37956
27 3VRV YSD 0.02094 0.41914 4.37956
28 5CXI 5TW 0.004051 0.41782 4.37956
29 5HCY 60D 0.02583 0.41034 4.37956
30 3OZ2 OZ2 0.02018 0.40784 4.37956
31 3VQ2 LP4 LP5 MYR DAO 0.03337 0.40471 4.37956
32 5ICK FEZ 0.01189 0.40043 4.37956
33 5B4B LP5 0.004327 0.43539 5.10949
34 2ZCQ B65 0.01256 0.42701 5.10949
35 4QJP V1F 0.01005 0.41218 5.10949
36 3I28 34N 0.02967 0.4114 5.10949
37 1FM9 570 0.015 0.41065 5.10949
38 3GN8 DEX 0.009019 0.40781 5.10949
39 1TT8 PHB 0.0152 0.40509 5.10949
40 3B1M KRC 0.01128 0.40502 5.10949
41 4M8E 29V 0.01427 0.40189 5.10949
42 4POJ 2VP 0.01656 0.4004 5.10949
43 2QL9 CIT 0.0002161 0.40932 5.15464
44 4Q0L V14 0.0161 0.40247 5.83942
45 5LGA 6VH 0.02926 0.40095 5.83942
46 3P7N FMN 0.001201 0.44624 6.56934
47 1M13 HYF 0.01159 0.41729 6.56934
48 5IH9 6BF 0.014 0.41675 6.56934
49 4QWT ACD 0.01506 0.40529 6.56934
50 5ITV NAI 0.02379 0.40208 6.56934
51 3KDU NKS 0.02975 0.41134 7.29927
52 3E2M E2M 0.03613 0.41132 7.29927
53 4WUJ FMN 0.009016 0.40598 7.29927
54 1K7L 544 0.01611 0.40389 7.29927
55 2A4W BLM 0.02091 0.40115 7.29927
56 2Z6C FMN 0.0007642 0.45525 7.75194
57 1VPV PLM 0.008045 0.41969 8.0292
58 1MGP PLM 0.008269 0.41768 8.0292
59 1Y0G 8PP 0.01927 0.41676 8.0292
60 5GUD 2IT 0.03455 0.40033 8.0292
61 3RUG DB6 0.04034 0.40218 8.75912
62 3T58 FAD 0.02384 0.40086 8.75912
63 1AUA BOG 0.008764 0.41773 9.48905
64 1UJ2 C5P 0.01784 0.40177 9.48905
65 1WUB OTP 0.02552 0.41061 10.219
66 2E2R 2OH 0.01988 0.40925 10.219
67 4RFR RHN 0.008777 0.40652 10.219
68 1ZOY UQ1 0.01495 0.40811 10.9489
69 4IE6 UN9 0.0182 0.40405 10.9489
70 2OHV NHL 0.008526 0.41357 11.6788
71 2JAP NDP 0.01623 0.41019 11.6788
72 1PZO CBT 0.01348 0.42172 11.7871
73 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 0.0126 0.41431 12.4088
74 3T50 FMN 0.0005367 0.4623 12.5
75 4P3H 25G 0.007781 0.41425 13.1387
76 5IR4 ZPE 0.03573 0.4032 13.1387
77 2GTE VA 0.01077 0.40762 13.7097
78 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 0.02521 0.40415 13.8686
79 4D06 NAR 0.01183 0.40406 14.5985
80 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.03094 0.40077 14.5985
81 2Z6D FMN 0.0007047 0.45687 14.6154
82 2XMY CDK 0.04348 0.41152 16.0584
83 2AX9 BHM 0.03102 0.40454 16.0584
84 2AXR ABL 0.01744 0.40661 16.7883
85 5DRB 5FJ 0.02485 0.4129 18.2482
86 2HFN FMN 0.00000000001249 0.75108 30.6569
87 1X0P FAD 0.0000000000002401 0.87592 32.8467
88 5MBC FMN 0.0000000000006652 0.8613 37.2263
89 1YRX FMN 0.00000000002145 0.78811 45.4545
90 2IYG FMN 0.0000000000003605 0.84651 45.9677
Pocket No.: 2; Query (leader) PDB : 2BYC; Ligand: FMN; Similar sites found: 39
This union binding pocket(no: 2) in the query (biounit: 2byc.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GJ5 VD3 0.007027 0.43771 None
2 5K53 STE 0.008661 0.41256 None
3 1SIV PSI 0.01845 0.4122 None
4 4IAE 1DX 0.02028 0.41014 None
5 4B6C B5U 0.007938 0.40852 None
6 1POC GEL 0.01113 0.40368 None
7 1N9L FMN 0.002593 0.40027 None
8 5A5W GUO 0.02092 0.41665 2.18978
9 1QY1 PRZ 0.01434 0.40385 2.18978
10 2X32 OTP 0.04684 0.40276 2.18978
11 2VHW NAI 0.01198 0.42601 2.91971
12 2I0G I0G 0.02881 0.41693 3.64964
13 4DXJ IPE 0.02102 0.40822 3.64964
14 1VHT BA3 0.009668 0.40241 3.64964
15 2J1P GRG 0.01825 0.40044 3.64964
16 2P1C GG3 0.007785 0.42711 4.37956
17 1GSA ADP 0.01686 0.4021 4.37956
18 4V24 GYR 0.0007828 0.4696 5.10949
19 3FUR Z12 0.01553 0.42776 5.10949
20 4HEE 14R 0.006608 0.41813 5.10949
21 2HFP NSI 0.01303 0.40906 5.10949
22 1DLJ UGA 0.03238 0.41499 5.83942
23 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.03821 0.40578 5.83942
24 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 0.04111 0.40065 5.83942
25 1U0A BGC BGC BGC BGC 0.009557 0.40477 6.56934
26 5K52 OCD 0.01696 0.40035 6.56934
27 3FEI CTM 0.01499 0.40611 7.29927
28 5UWA 8ND 0.00983 0.42212 8.0292
29 3P3G 3P3 0.01974 0.40588 8.0292
30 3P3G UKW 0.01974 0.40588 8.0292
31 3SCM LGN 0.02927 0.41943 8.75912
32 4X6F 3XU 0.03678 0.40314 8.75912
33 2V6K TGG 0.01406 0.40078 8.75912
34 2J62 GSZ 0.01176 0.41274 10.9489
35 4H07 IPH 0.02645 0.40085 12.4088
36 3BZF VAL MET ALA PRO ARG ALA LEU LEU LEU 0.01883 0.41288 13.8686
37 3HR1 PF9 0.01703 0.40027 20.438
38 5IKH 6BW 0.01895 0.41162 23.3577
39 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.02681 0.41291 25.5474
Feedback