Browse entries in the PDBbind-CN Database

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Related entries of code: 5ett
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%
5etrRCSB PDB    PDBbind161aa, >5ETR_1|Chains... at 100%
5etsRCSB PDB    PDBbind161aa, >5ETS_1|Chains... at 100%
5etvRCSB PDB    PDBbind161aa, >5ETV_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5etoRCSB PDB    PDBbind5RY
Entry Information
PDB ID5ett
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameS. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (SaHPPK)
Ligand Name5RY
EC.Number E.C.2.7.6.3
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)Kd=0.59uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 5248-5263
Ligand Properties
Formula C13H10FN6OS
Molecular Weight 317.322
Exact Mass 317.062
No. of atoms 32
No. of bonds 34
Polar Surface Area 150.79
LOGP Value 2.37      (Computed with XLOGP3)
1.53      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
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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