Receptor
PDB id Resolution Class Description Source Keywords
4D02 1.76 Å EC: 1.-.-.- THE CRYSTALLOGRAPHIC STRUCTURE OF FLAVORUBREDOXIN FROM ESCHE COLI ESCHERICHIA COLI K-12 ELECTRON TRANSPORT FDP NITRIC OXIDE ROO RUBREDOXIN FLRD
Ref.: STRUCTURE OF ESCHERICHIA COLI FLAVODIIRON NITRIC OX REDUCTASE. J.MOL.BIOL. V. 428 4686 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:608;
A:607;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
FE A:602;
A:603;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
55.845 Fe [Fe+3...
PO4 A:606;
A:605;
 Invalid;
Invalid;
 none;
none;
 submit data
94.971 O4 P [O-]P...
GOL A:609;
A:610;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
O A:604;
 Invalid;
 none;
 submit data
15.999 O O
FMN A:482;
 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
5LMC 1.9 Å EC: 1.-.-.- OXIDIZED FLAVODIIRON CORE OF ESCHERICHIA COLI FLAVORUBREDOXI INCLUDING THE FE-4SG ATOMS FROM ITS RUBREDOXIN DOMAIN ESCHERICHIA COLI K-12 FLAVORUBREDOXIN FLAVODIIRON PROTEIN DIIRON CENTER NITRIC REDUCTASE OXIDOREDUCTASE
Ref.: STRUCTURE OF ESCHERICHIA COLI FLAVODIIRON NITRIC OX REDUCTASE. J.MOL.BIOL. V. 428 4686 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 5LMC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4D02 - 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 337 families.
1 5LMC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4D02 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 6ZLF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6ZK8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 6FRN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 6FRM - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2Q9U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 5LMC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4D02 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1E5D - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 2OHH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2OHJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 2OHI - 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 : 5LMC; 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: 5lmc.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5LMC; 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: 5lmc.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5LMC; 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: 3) in the query (biounit: 5lmc.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5LMC; 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: 4) in the query (biounit: 5lmc.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5LMC; 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: 5) in the query (biounit: 5lmc.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5LMC; 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: 6) in the query (biounit: 5lmc.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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