Receptor
PDB id Resolution Class Description Source Keywords
6OHK 1.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FUSOBACTERIUM NUCLEATUM FLAVODOXIN MUTA BOUND TO FLAVIN MONONUCLEOTIDE FUSOBACTERIUM NUCLEATUM FLAVODOXIN REDUCTION POTENTIAL FLAVIN MONONUCLEOTIDE ELECTRANSFER ELECTRON TRANSPORT
Ref.: STRUCTURAL INSIGHT INTO THE HIGH REDUCTION POTENTIA OBSERVED FOR FUSOBACTERIUM NUCLEATUM FLAVODOXIN. PROTEIN SCI. V. 28 1460 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:201;
 Valid;
 none;
 Kd = 9 nM
456.344 C17 H21 N4 O9 P Cc1cc...
GOL A:202;
 Invalid;
 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
6OHK 1.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FUSOBACTERIUM NUCLEATUM FLAVODOXIN MUTA BOUND TO FLAVIN MONONUCLEOTIDE FUSOBACTERIUM NUCLEATUM FLAVODOXIN REDUCTION POTENTIAL FLAVIN MONONUCLEOTIDE ELECTRANSFER ELECTRON TRANSPORT
Ref.: STRUCTURAL INSIGHT INTO THE HIGH REDUCTION POTENTIA OBSERVED FOR FUSOBACTERIUM NUCLEATUM FLAVODOXIN. PROTEIN SCI. V. 28 1460 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6OHL Kd = 34 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6OHK Kd = 9 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6OHL Kd = 34 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6OHK Kd = 9 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2WC1 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3ESY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1OBV Kd = 1.04 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1RCF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2V5V Kd = 4.8 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1OBO Kd = 6.72 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 3ESX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 3ESZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2V5U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 5LJP Ka = 83000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 6OHL Kd = 34 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 6OHK Kd = 9 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 2FCR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1YOB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 5K9B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 1D03 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 1CZK Kd = 1.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 1CZN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1D04 Ka = 38000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 1CZU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 1OFV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 1CZL Ka = 1400000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 1CZH Ka = 3500000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 1CZO Ka = 35000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
26 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
27 2BMV - BEN C7 H8 N2 [H]/N=C(c1....
28 1FUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
29 1AG9 Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 9O9 0.574468 0.934211
4 RS3 0.571429 0.831169
5 FAD 0.543307 0.876543
6 FAS 0.543307 0.876543
7 FAE 0.539062 0.865854
8 UBG 0.534351 0.888889
9 5DD 0.475248 0.972603
10 LFN 0.475 0.643836
11 C3F 0.473684 0.74359
12 CF4 0.463918 0.734177
13 FAY 0.446043 0.864198
14 FNR 0.444444 0.909091
15 RFL 0.442857 0.845238
16 4LS 0.411215 0.875
17 1VY 0.406593 0.769231
18 DLZ 0.404494 0.782051
Similar Ligands (3D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 10
No: Ligand Similarity coefficient
1 7O6 0.9670
2 4X4 0.8996
3 4LU 0.8884
4 E2U 0.8865
5 HDF 0.8834
6 AFQ 0.8817
7 E2X 0.8805
8 E89 0.8698
9 1WJ 0.8673
10 FZZ 0.8606
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6OHK; Ligand: FMN; Similar sites found with APoc: 21
This union binding pocket(no: 1) in the query (biounit: 6ohk.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 6T1T FAD 4.11765
2 6T1T NDP 4.11765
3 6T1T FMN 4.11765
4 6T1T NDP 4.11765
5 6T1T FMN 4.11765
6 6T1T FAD 4.11765
7 6EFV FMN 7.64706
8 3FJO FMN 11.1765
9 6LI0 FMN 12.9412
10 5FA6 NAP 26.4706
11 5FA6 FMN 26.4706
12 5FA6 FAD 26.4706
13 5FA6 FAD 26.4706
14 5FA6 FMN 26.4706
15 5FA6 NAP 26.4706
16 1B1C FMN 26.4706
17 5GXU FMN 31.7647
18 4HEQ FMN 32.1918
19 4HEQ FMN 32.1918
20 4N82 FMN 37.0588
21 4N82 FMN 37.0588
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