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Related entries of code: 4hwr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4hwoRCSB PDB    PDBbind411aa, >4HWO_1|Chains... *
4hwpRCSB PDB    PDBbind411aa, >4HWP_1|Chains... at 100%
4hwsRCSB PDB    PDBbind411aa, >4HWS_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4hwtRCSB PDB    PDBbind1B2

Entry Information
PDB ID4hwr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameThreonine--tRNA ligase
Ligand Name1B2
EC.Number E.C.6.1.1.3
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=182nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 1748-1760
Ligand Properties
Formula C17H19N4O4S
Molecular Weight 375.422
Exact Mass 375.113
No. of atoms 45
No. of bonds 47
Polar Surface Area 148.17
LOGP Value 0.80      (Computed with XLOGP3)
1.50      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
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): P0A8M3  
Entrez Gene IDNCBI Entrez Gene ID: 946222  
ASDInformation of known allosteric effects of PDB entries

 
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