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Related entries of code: 2a58
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1kyvRCSB PDB    PDBbind159aa, >1KYV_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1kyvRCSB PDB    PDBbindRBF
1l5rRCSB PDB    PDBbindRBF
2ccbRCSB PDB    PDBbindRBF
2fl5RCSB PDB    PDBbindRBF
2vx9RCSB PDB    PDBbindRBF
2vxaRCSB PDB    PDBbindRBF
4d1yRCSB PDB    PDBbindRBF
4zzdRCSB PDB    PDBbindRBF
5umwRCSB PDB    PDBbindRBF
5umxRCSB PDB    PDBbindRBF

Entry Information
PDB ID2a58
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name6,7-dimethyl-8-ribityllumazine synthase
Ligand NameRBF
EC.Number E.C.2.5.1.9
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Kd=12.0uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference Eur.J.Biochem. v271 pp. 3208-14, 2004
Ligand Properties
Formula C17H21N4O6
Molecular Weight 377.372
Exact Mass 377.146
No. of atoms 48
No. of bonds 50
Polar Surface Area 163.41
LOGP Value -1.35      (Computed with XLOGP3)
-2.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q9UUB1  
Entrez Gene IDNCBI Entrez Gene ID: 2541125  
ASDInformation of known allosteric effects of PDB entries

 
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