Browse entries in the PDBbind-CN Database

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Related entries of code: 2w2i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2gklRCSB PDB    PDBbindPD2
2vd7RCSB PDB    PDBbindPD2
2w0xRCSB PDB    PDBbindPD2
4ie0RCSB PDB    PDBbindPD2
4nhyRCSB PDB    PDBbindPD2
4nrqRCSB PDB    PDBbindPD2
5a3wRCSB PDB    PDBbindPD2

Entry Information
PDB ID2w2i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Ligand NamePD2
EC.Number E.C.1.14.11.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=914nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Bioorg. Med. Chem., Vol.19, pp.3625-3636
Ligand Properties
Formula C7H5NO4
Molecular Weight 167.119
Exact Mass 167.022
No. of atoms 17
No. of bonds 17
Polar Surface Area 87.49
LOGP Value 2.11      (Computed with XLOGP3)
0.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 5
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): B2RXH2  
Entrez Gene IDNCBI Entrez Gene ID: 390245  
ASDInformation of known allosteric effects of PDB entries

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