Receptor
PDB id Resolution Class Description Source Keywords
5VEG 1.99 Å NON-ENZYME: OTHER STRUCTURE OF A SHORT-CHAIN FLAVODOXIN ASSOCIATED WITH A NON- PDU BACTERIAL MICROCOMPARTMENT LACTOBACILLUS REUTERI FLAVODOXIN BACTERIAL MICROCOMPARTMENTS ELECTRON TRANSPORT
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF A SHO FLAVODOXIN ASSOCIATED WITH A NONCANONICAL 1,2-PROPA UTILIZATION BACTERIAL MICROCOMPARTMENT. BIOCHEMISTRY V. 56 5679 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA C:202;
B:204;
C:203;
C:205;
A:203;
C:204;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
22.99 Na [Na+]
CD B:203;
B:202;
A:202;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
112.411 Cd [Cd+2...
FMN A:201;
B:201;
C:201;
 Valid;
Valid;
Valid;
 none;
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
5VEG 1.99 Å NON-ENZYME: OTHER STRUCTURE OF A SHORT-CHAIN FLAVODOXIN ASSOCIATED WITH A NON- PDU BACTERIAL MICROCOMPARTMENT LACTOBACILLUS REUTERI FLAVODOXIN BACTERIAL MICROCOMPARTMENTS ELECTRON TRANSPORT
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF A SHO FLAVODOXIN ASSOCIATED WITH A NONCANONICAL 1,2-PROPA UTILIZATION BACTERIAL MICROCOMPARTMENT. BIOCHEMISTRY V. 56 5679 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5VEG - 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 1331 families.
1 5VEG - 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 1144 families.
1 5VEG - 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 : 5VEG; Ligand: FMN; Similar sites found with APoc: 13
This union binding pocket(no: 1) in the query (biounit: 5veg.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1CZR FMN 24.8521
2 1OBV FMN 28.9941
3 1AG9 FMN 29.7143
4 1AG9 FMN 29.7143
5 6LI0 FMN 33.1461
6 1AKV FMN 39.4558
7 4HEQ FMN 43.8356
8 4HEQ FMN 43.8356
9 3F6R FMN 47.973
10 3F6R FMN 47.973
11 3F6R FMN 47.973
12 3F6R FMN 47.973
13 3KAP FMN 48.2993
Pocket No.: 2; Query (leader) PDB : 5VEG; Ligand: FMN; Similar sites found with APoc: 13
This union binding pocket(no: 2) in the query (biounit: 5veg.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1CZR FMN 24.8521
2 5K9B FMN 27.5281
3 1OBV FMN 28.9941
4 1AG9 FMN 29.7143
5 1AG9 FMN 29.7143
6 6LI0 FMN 33.1461
7 4HEQ FMN 43.8356
8 4HEQ FMN 43.8356
9 3F6R FMN 47.973
10 3F6R FMN 47.973
11 3F6R FMN 47.973
12 3F6R FMN 47.973
13 3KAP FMN 48.2993
Pocket No.: 3; Query (leader) PDB : 5VEG; Ligand: FMN; Similar sites found with APoc: 12
This union binding pocket(no: 3) in the query (biounit: 5veg.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1CZR FMN 24.8521
2 5K9B FMN 27.5281
3 1OBV FMN 28.9941
4 1AG9 FMN 29.7143
5 1AG9 FMN 29.7143
6 6LI0 FMN 33.1461
7 4HEQ FMN 43.8356
8 4HEQ FMN 43.8356
9 3F6R FMN 47.973
10 3F6R FMN 47.973
11 3F6R FMN 47.973
12 3F6R FMN 47.973
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