Receptor
PDB id Resolution Class Description Source Keywords
4uwm 1.9 Å EC: 1.14.13.- TYPE II BAEYER-VILLIGER MONOOXYGENASE.THE OXYGENATING CONSTITUENT OF 3,6-DIKETOCAMPHANE MONOOXYGENASE FROM CAM P LASMID OF PSEUDOMONAS PUTIDA IN COMPLEX WITH FMN. PSEUDOMONAS PUTIDA OXIDOREDUCTASE BIOCATALYSIS
Ref.: THE OXYGENATING CONSTITUENT OF 3,6-DIKETOCAMPHANE MONOOXYGENASE FROM THE CAM PLASMID OF PSEUDOMONAS P THE FIRST CRYSTAL STRUCTURE OF A TYPE II BAEYER-VIL MONOOXYGENASE. ACTA CRYSTALLOGR.,SECT.D V. 71 2344 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PG4 B:401;
B:404;
A:401;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
194.226 C8 H18 O5 C(COC...
PEG B:403;
A:403;
B:402;
A:402;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
106.12 C4 H10 O3 C(COC...
FMN B:400;
A:400;
 Valid;
Valid;
 none;
none;
 submit data
456.344 C17 H21 N4 O9 P Cc1cc...
PGE A:404;
 Invalid;
 none;
 submit data
150.173 C6 H14 O4 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UWM 1.9 Å EC: 1.14.13.- TYPE II BAEYER-VILLIGER MONOOXYGENASE.THE OXYGENATING CONSTITUENT OF 3,6-DIKETOCAMPHANE MONOOXYGENASE FROM CAM P LASMID OF PSEUDOMONAS PUTIDA IN COMPLEX WITH FMN. PSEUDOMONAS PUTIDA OXIDOREDUCTASE BIOCATALYSIS
Ref.: THE OXYGENATING CONSTITUENT OF 3,6-DIKETOCAMPHANE MONOOXYGENASE FROM THE CAM PLASMID OF PSEUDOMONAS P THE FIRST CRYSTAL STRUCTURE OF A TYPE II BAEYER-VIL MONOOXYGENASE. ACTA CRYSTALLOGR.,SECT.D V. 71 2344 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 4UWM - 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 8 families.
1 4UWM - 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 5 families.
1 4UWM - 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 : 4UWM; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4uwm.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4UWM; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4uwm.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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