Receptor
PDB id Resolution Class Description Source Keywords
2Z6I 1.7 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF S. PNEUMONIAE ENOYL-ACYL CARRIER PROTEIN REDUCTASE (FABK) STREPTOCOCCUS PNEUMONIAE FATTY ACID SYNTHESIS ANTIBIOTICS OXIDOREDUCTASE FLAVOPROTEIN
Ref.: CRYSTAL STRUCTURE OF ENOYL-ACYL CARRIER PROTEIN REDUCTASE (FABK) FROM STREPTOCOCCUS PNEUMONIAE REVEALS THE BINDING MODE OF AN INHIBITOR. PROTEIN SCI. V. 17 691 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:502;
A:503;
A:506;
B:501;
B:504;
B:505;
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
40.078 Ca [Ca+2...
FMN A:401;
B:402;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
MPD A:601;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Z6I 1.7 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF S. PNEUMONIAE ENOYL-ACYL CARRIER PROTEIN REDUCTASE (FABK) STREPTOCOCCUS PNEUMONIAE FATTY ACID SYNTHESIS ANTIBIOTICS OXIDOREDUCTASE FLAVOPROTEIN
Ref.: CRYSTAL STRUCTURE OF ENOYL-ACYL CARRIER PROTEIN REDUCTASE (FABK) FROM STREPTOCOCCUS PNEUMONIAE REVEALS THE BINDING MODE OF AN INHIBITOR. PROTEIN SCI. V. 17 691 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2Z6I - 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 9 families.
1 2Z6I - 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 2Z6I - 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 : 2Z6I; Ligand: FMN; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 2z6i.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3BW2 FMN 43.0723
2 4Q4K FMN 43.6975
3 2GJN NIS 49.3902
4 2GJN FMN 49.3902
Pocket No.: 2; Query (leader) PDB : 2Z6I; 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: 2z6i.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback