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Related entries of code: 2wos
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2worRCSB PDB    PDBbind100aa, >2WOR_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID2wos
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameProtein S100-A7
Ligand Name6AN
EC.Number E.C.-.-.-.-
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=125uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Biochemistry
Ligand Properties
Formula C16H15NO3S
Molecular Weight 301.360
Exact Mass 301.077
No. of atoms 36
No. of bonds 38
Polar Surface Area 98.02
LOGP Value 3.54      (Computed with XLOGP3)
5.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
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): P31151  
Entrez Gene IDNCBI Entrez Gene ID: 6278  
ASDInformation of known allosteric effects of PDB entries
 
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