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Related entries of code: 5agi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2wfgRCSB PDB    PDBbind261aa, >2WFG_1|Chain... *
5agjRCSB PDB    PDBbind261aa, >5AGJ_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2v0cRCSB PDB    PDBbindANZ
5agjRCSB PDB    PDBbindANZ
Entry Information
PDB ID5agi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLeuRS editing domain of Candida albicans Mutant K510A
Ligand NameANZ
EC.Number E.C.6.1.1.4
Resolution 1.47(Å)
Affinity (Kd/Ki/IC50)Kd=46uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acs Chem.Biol. Vol. 10: pp. 2277-2285
Ligand Properties
Formula C17H18BFN5O8P
Molecular Weight 481.137
Exact Mass 481.097
No. of atoms 51
No. of bonds 56
Polar Surface Area 180.82
LOGP Value -1.16      (Computed with XLOGP3)
-0.19      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 6
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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