Browse entries in the PDBbind-CN Database

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Related entries of code: 4y6s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4y67RCSB PDB    PDBbind422aa, >4Y67_1|Chains... *
4y6pRCSB PDB    PDBbind422aa, >4Y6P_1|Chains... at 100%
4y6rRCSB PDB    PDBbind422aa, >4Y6R_1|Chains... at 100%
5jazRCSB PDB    PDBbind422aa, >5JAZ_1|Chains... at 100%
5jbiRCSB PDB    PDBbind422aa, >5JBI_1|Chains... at 100%
5jc1RCSB PDB    PDBbind422aa, >5JC1_1|Chains... at 100%
5jmpRCSB PDB    PDBbind422aa, >5JMP_1|Chains... at 100%
5jmwRCSB PDB    PDBbind422aa, >5JMW_1|Chains... at 100%
5jnlRCSB PDB    PDBbind422aa, >5JNL_1|Chains... at 100%
5jo0RCSB PDB    PDBbind422aa, >5JO0_1|Chains... 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 ID4y6s
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePlasmodium falciparum DXR
Ligand Name48S
EC.Number E.C.1.1.1.267
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=9.3uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 2988-3001
Ligand Properties
Formula C12H19NO5P
Molecular Weight 288.257
Exact Mass 288.100
No. of atoms 38
No. of bonds 38
Polar Surface Area 114.82
LOGP Value -0.71      (Computed with XLOGP3)
1.06      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
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): Q8IKG4  
Entrez Gene IDNCBI Entrez Gene ID: 812223  
ASDInformation of known allosteric effects of PDB entries
 
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