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Receptor
PDB id Resolution Class Description Source Keywords
1YWQ 2.3 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A NITROREDUCTASE FAMILY PROTEIN FROM BA CEREUS ATCC 14579 BACILLUS CEREUS ATCC 14579 BACILLUS CEREUS NITROREDUCTASE FAMILY PROTEIN FMN STRUCTUGENOMICS PSI PROTEIN STRUCTURE INITIATIVE MIDWEST CENTERSTRUCTURAL GENOMICS MCSG OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF A NITROREDUCTASE FAMILY PROTEI BACILLUS CEREUS ATCC 14579 TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:201;
Valid;
none;
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456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YWQ 2.3 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A NITROREDUCTASE FAMILY PROTEIN FROM BA CEREUS ATCC 14579 BACILLUS CEREUS ATCC 14579 BACILLUS CEREUS NITROREDUCTASE FAMILY PROTEIN FMN STRUCTUGENOMICS PSI PROTEIN STRUCTURE INITIATIVE MIDWEST CENTERSTRUCTURAL GENOMICS MCSG OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF A NITROREDUCTASE FAMILY PROTEI BACILLUS CEREUS ATCC 14579 TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 1YWQ - 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 280 families.
1 1YWQ - 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 187 families.
1 2WQF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1YWQ - 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 : 1YWQ; Ligand: FMN; Similar sites found with APoc: 13
This union binding pocket(no: 1) in the query (biounit: 1ywq.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4FK7 P34 1.5
2 1Q7E MET 4
3 2FKA BEF 5.42636
4 2D5X L35 6.38298
5 1UO4 PIH 8.82353
6 4EO3 FMN 12.5
7 5NM7 GLY 13.5338
8 3GB5 FMN 15
9 5YAK YOF 15.5
10 5YAK FMN 15.5
11 3N2S FMN 17
12 2ISJ FMN 38.5
13 1NOX FMN 47.3171
Pocket No.: 2; Query (leader) PDB : 1YWQ; 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: 1ywq.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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