Browse entries in the PDBbind-CN Database

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Related entries of code: 5etr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3qbcRCSB PDB    PDBbind161aa, >3QBC_1|Chains... *
4ad6RCSB PDB    PDBbind161aa, >4AD6_1|Chains... at 100%
4crjRCSB PDB    PDBbind161aa, >4CRJ_1|Chain... at 100%
4cwbRCSB PDB    PDBbind161aa, >4CWB_1|Chain... at 100%
5etqRCSB PDB    PDBbind161aa, >5ETQ_1|Chains... at 100%
5etsRCSB PDB    PDBbind161aa, >5ETS_1|Chains... at 100%
5ettRCSB PDB    PDBbind161aa, >5ETT_1|Chains... at 100%
5etvRCSB PDB    PDBbind161aa, >5ETV_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5etmRCSB PDB    PDBbind5RW
Entry Information
PDB ID5etr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameS. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (SaHPPK)
Ligand Name5RW
EC.Number E.C.2.7.6.3
Resolution 1.32(Å)
Affinity (Kd/Ki/IC50)Kd=0.30uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 5248-5263
Ligand Properties
Formula C12H11FN5OS
Molecular Weight 292.312
Exact Mass 292.067
No. of atoms 31
No. of bonds 33
Polar Surface Area 127
LOGP Value 2.65      (Computed with XLOGP3)
1.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
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): Q2G0Q5  
Entrez Gene IDNCBI Entrez Gene ID: 3920407  
ASDInformation of known allosteric effects of PDB entries
 
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