Receptor
PDB id Resolution Class Description Source Keywords
4HMX 1.59 Å EC: 1.4.3.5 CRYSTAL STRUCTURE OF PHZG FROM BURKHOLDERIA LATA 383 IN COMP TETRAHYDROPHENAZINE-1-CARBOXYLIC ACID BURKHOLDERIA APO STRUCTURE OXIDOREDUCTASE
Ref.: TRAPPED INTERMEDIATES IN CRYSTALS OF THE FMN-DEPEND OXIDASE PHZG PROVIDE INSIGHT INTO THE FINAL STEPS O PHENAZINE BIOSYNTHESIS ACTA CRYSTALLOGR.,SECT.D V. 69 1403 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN B:301;
A:301;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
WUB A:302;
Valid;
none;
submit data
228.247 C13 H12 N2 O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4HMX 1.59 Å EC: 1.4.3.5 CRYSTAL STRUCTURE OF PHZG FROM BURKHOLDERIA LATA 383 IN COMP TETRAHYDROPHENAZINE-1-CARBOXYLIC ACID BURKHOLDERIA APO STRUCTURE OXIDOREDUCTASE
Ref.: TRAPPED INTERMEDIATES IN CRYSTALS OF THE FMN-DEPEND OXIDASE PHZG PROVIDE INSIGHT INTO THE FINAL STEPS O PHENAZINE BIOSYNTHESIS ACTA CRYSTALLOGR.,SECT.D V. 69 1403 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4HMX - WUB C13 H12 N2 O2 c1ccc2c(c1....
2 4HMW - 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 3 families.
1 4HMX - WUB C13 H12 N2 O2 c1ccc2c(c1....
2 4HMW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4HMS - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4HMV - WUB C13 H12 N2 O2 c1ccc2c(c1....
3 4HMU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1TY9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 4HMT - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1T9M - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4HMX - WUB C13 H12 N2 O2 c1ccc2c(c1....
8 4HMW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Ligand no: 2; Ligand: WUB; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 WUB 1 1
2 NNV 0.43662 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4HMX; 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: 4hmx.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4HMX; 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: 4hmx.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4HMX; Ligand: WUB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4hmx.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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