Receptor
PDB id Resolution Class Description Source Keywords
4N02 1.4 Å EC: 5.3.3.2 TYPE 2 IDI FROM S. PNEUMONIAE STREPTOCOCCUS PNEUMONIAE TIM BARREL ISOMERASE
Ref.: DETERMINATION OF KINETICS AND THE CRYSTAL STRUCTURE NOVEL TYPE 2 ISOPENTENYL DIPHOSPHATE: DIMETHYLALLYL DIPHOSPHATE ISOMERASE FROM STREPTOCOCCUS PNEUMONIAE CHEMBIOCHEM V. 15 1452 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:401;
A:402;
A:403;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
FNR A:404;
Valid;
none;
submit data
458.36 C17 H23 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N02 1.4 Å EC: 5.3.3.2 TYPE 2 IDI FROM S. PNEUMONIAE STREPTOCOCCUS PNEUMONIAE TIM BARREL ISOMERASE
Ref.: DETERMINATION OF KINETICS AND THE CRYSTAL STRUCTURE NOVEL TYPE 2 ISOPENTENYL DIPHOSPHATE: DIMETHYLALLYL DIPHOSPHATE ISOMERASE FROM STREPTOCOCCUS PNEUMONIAE CHEMBIOCHEM V. 15 1452 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4N02 - FNR C17 H23 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 4 families.
1 4N02 - FNR C17 H23 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 4 families.
1 4N02 - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FNR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 FNR 1 1
2 FDA 0.532258 0.892857
3 4LS 0.525773 0.961538
4 4LU 0.480769 0.903614
5 FMN 0.444444 0.909091
6 4MJ 0.418033 0.914634
7 VNR 0.4 0.847059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4N02; Ligand: FNR; 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: 4n02.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4N02; Ligand: FNR; 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: 4n02.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4N02; Ligand: FNR; 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: 4n02.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4N02; Ligand: FNR; 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: 4n02.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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