Browse entries in the PDBbind-CN Database

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Related entries of code: 4yrr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ypfRCSB PDB    PDBbind456aa, >4YPF_1|Chain... *
4yrcRCSB PDB    PDBbind456aa, >4YRC_1|Chain... at 100%
4yrgRCSB PDB    PDBbind456aa, >4YRG_1|Chain... at 100%
4yrsRCSB PDB    PDBbind456aa, >4YRS_1|Chain... at 100%
4yrtRCSB PDB    PDBbind456aa, >4YRT_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4yrr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHistidyl-tRNA synthetase
Ligand Name691
EC.Number E.C.6.1.1.21
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50>2mM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acta Crystallogr.,Sect.D Vol. 71: pp. 1684-1698
Ligand Properties
Formula C11H10N2O
Molecular Weight 186.210
Exact Mass 186.079
No. of atoms 24
No. of bonds 25
Polar Surface Area 41.99
LOGP Value 1.37      (Computed with XLOGP3)
2.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
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): Q4DA54  
Entrez Gene IDNCBI Entrez Gene ID: 3542186  
ASDInformation of known allosteric effects of PDB entries

 
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