Receptor
PDB id Resolution Class Description Source Keywords
4BMO 1.81 Å EC: 1.17.4.1 CRYSTAL STRUCTURE OF BACILLUS CEREUS RIBONUCLEOTIDE REDUCTAS DI-IRON NRDF IN COMPLEX WITH NRDI (1.8 A RESOLUTION) BACILLUS CEREUS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF BACILLUS CEREUS CLASS IB RIBONUCLEOTIDE REDUCTASE DI-IRON NRDF IN COMPLEX WI ACS CHEM.BIOL. V. 9 526 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE2 A:1324;
A:1323;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+2...
CL A:1295;
A:1297;
A:1294;
A:1293;
A:1296;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
FMN B:1120;
Valid;
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
4BMO 1.81 Å EC: 1.17.4.1 CRYSTAL STRUCTURE OF BACILLUS CEREUS RIBONUCLEOTIDE REDUCTAS DI-IRON NRDF IN COMPLEX WITH NRDI (1.8 A RESOLUTION) BACILLUS CEREUS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF BACILLUS CEREUS CLASS IB RIBONUCLEOTIDE REDUCTASE DI-IRON NRDF IN COMPLEX WI ACS CHEM.BIOL. V. 9 526 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4BMP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4BMO - 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 9 families.
1 4BMP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4BMO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4BMP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4BMO - 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BMO; 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: 4bmo.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4BMO; 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: 4bmo.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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