Receptor
PDB id Resolution Class Description Source Keywords
4R81 1.5 Å EC: 1.-.-.- NAD(P)H:QUINONE OXIDOREDUCTASE FROM METHANOTHERMOBACTER MARB METHANOTHERMOBACTER MARBURGENSIS FLAVODOXIN-LIKE/FOLD OXIDOREDUCTASE FMN NAD
Ref.: A NOVEL CYTOSOLIC NADH:QUINONE OXIDOREDUCTASE FROM METHANOTHERMOBACTER MARBURGENSIS. BIOSCI.REP. V. 34 00167 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN C:300;
A:300;
B:300;
D:300;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
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
4R81 1.5 Å EC: 1.-.-.- NAD(P)H:QUINONE OXIDOREDUCTASE FROM METHANOTHERMOBACTER MARB METHANOTHERMOBACTER MARBURGENSIS FLAVODOXIN-LIKE/FOLD OXIDOREDUCTASE FMN NAD
Ref.: A NOVEL CYTOSOLIC NADH:QUINONE OXIDOREDUCTASE FROM METHANOTHERMOBACTER MARBURGENSIS. BIOSCI.REP. V. 34 00167 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4R81 - 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 247 families.
1 4R81 - 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 177 families.
1 4R81 - 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 : 4R81; Ligand: FMN; Similar sites found: 46
This union binding pocket(no: 1) in the query (biounit: 4r81.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FKA BEF 0.0001003 0.55223 None
2 4WG0 CHD 0.01705 0.41747 None
3 2F2G HMH 0.01796 0.4118 1.45631
4 2JBM SRT 0.02784 0.40364 1.45631
5 2FCR FMN 0.01043 0.40124 2.31214
6 5F6U 5VK 0.004181 0.45286 2.54777
7 5JDA AMP 0.0142 0.41522 2.78552
8 5KJW 53C 0.01135 0.42022 2.91262
9 5AHO TLA 0.01912 0.41188 2.91262
10 1L5Y BEF 0.001428 0.46073 3.22581
11 4P83 U5P 0.01536 0.4046 3.2967
12 1B1C FMN 0.006146 0.40447 3.31492
13 5LJI FMN 0.004256 0.41886 3.37838
14 2F6U CIT 0.01445 0.41451 3.39806
15 4FK7 P34 0.01014 0.43602 3.8835
16 5FPE 3TR 0.01589 0.42764 3.8835
17 4POS NAG SIA GAL 0.01481 0.40538 3.8835
18 1VAY AZA 0.02903 0.40091 3.8835
19 2OYS FMN 0.000006154 0.51737 4.36893
20 3KL3 GCU 0.02572 0.42887 4.36893
21 2P39 SCR 0.02246 0.4036 5.16129
22 3TW1 AHN 0.00911 0.42486 5.33981
23 2PW0 TRC 0.02209 0.40889 5.33981
24 4FXQ G9L 0.01905 0.41058 6.31068
25 1KJ1 MAN 0.02486 0.40115 6.31068
26 3R4S SLB 0.0115 0.40094 6.31068
27 1V59 NAD 0.008689 0.41249 8.25243
28 4RJD TFP 0.004784 0.44848 9.09091
29 2WC1 FMN 0.00582 0.40549 9.34066
30 3SVL FMN 0.00002246 0.49052 9.84456
31 1MJT ITU 0.01553 0.4121 10.1942
32 1RLJ FMN 0.007677 0.40369 12.2302
33 3L9W FMN 0.00000009907 0.62794 13.5922
34 3HCH RSM 0.02109 0.41097 16.4384
35 1T5B FMN 0.000009855 0.52521 18.9055
36 2B3D FAD 0.000001221 0.51574 20.098
37 4N65 AQN 0.000002604 0.49659 20.8738
38 4N65 FMN 0.000001984 0.47932 20.8738
39 5JCM ISD 0.03592 0.40627 21.3592
40 5JCM FAD 0.03497 0.40627 21.3592
41 5JCM NAD 0.03592 0.40627 21.3592
42 3GFS FMN 0.0000001066 0.64474 25.8621
43 1QRD FAD 0.00000004642 0.64279 28.1553
44 5NUL FMN 0.0004279 0.45909 29.7101
45 3JSX CC2 0.000000169 0.6712 36.4078
46 3JSX FAD 0.0000000104 0.65163 36.4078
Pocket No.: 2; Query (leader) PDB : 4R81; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4r81.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4R81; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4r81.bio3) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4R81; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4r81.bio3) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4R81; Ligand: FMN; Similar sites found: 17
This union binding pocket(no: 5) in the query (biounit: 4r81.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PTZ FMN 0.000000333 0.59325 None
2 1B74 DGN 0.01918 0.41161 2.42718
3 2Q9U FMN 0.00002636 0.50425 3.39806
4 1ELI PYC 0.01539 0.40898 3.39806
5 3CL5 SIO 0.02329 0.40624 3.8835
6 4MOB ADP 0.005692 0.43552 4.36893
7 1AG9 FMN 0.006488 0.40157 5.71429
8 4LTN FMN 0.000002302 0.5376 6.09137
9 4LTN NAI 0.000003033 0.51131 6.09137
10 4IEN GDP 0.009027 0.40225 6.13497
11 2XOD FMN 0.007491 0.40074 6.72269
12 4D42 W0I 0.03534 0.40095 14.0777
13 4D42 NAP 0.03534 0.40095 14.0777
14 2Z9C FMN 0.000004445 0.52654 15.5
15 3N39 FMN 0.006221 0.4094 16.9935
16 4C0X FMN 0.000004754 0.47207 32.5123
17 4C0X AQN 0.000007061 0.44061 32.5123
Pocket No.: 6; Query (leader) PDB : 4R81; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4r81.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4R81; Ligand: FMN; Similar sites found: 9
This union binding pocket(no: 7) in the query (biounit: 4r81.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Q4X HMH 0.01185 0.41957 1.45631
2 2GVC FAD 0.01296 0.4072 4.85437
3 4OXX FMN 0.006801 0.40069 6.17284
4 2QGI UDP 0.02361 0.40338 7.76699
5 3AD8 NAD 0.01491 0.40549 9.2233
6 3QDW A2G 0.0331 0.41138 10.4895
7 1QO8 FAD 0.008728 0.42436 13.1068
8 3UVD MB3 0.01491 0.41056 16.9355
9 1E6E FAD 0.02009 0.40159 17.9688
Pocket No.: 8; Query (leader) PDB : 4R81; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4r81.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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