Browse entries in the PDBbind-CN Database

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Related entries of code: 4wri
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
1jk7RCSB PDB    PDBbindOKA
1u32RCSB PDB    PDBbindOKA
2ie4RCSB PDB    PDBbindOKA

Entry Information
PDB ID4wri
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameOkadaic acid binding protein 2-alpha
Ligand NameOKA
EC.Number E.C.-.-.-.-
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Kd=0.97nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Chembiochem Vol. 16: pp. 1435-1439
Ligand Properties
Formula C44H68O13
Molecular Weight 805.003
Exact Mass 804.466
No. of atoms 125
No. of bonds 131
Polar Surface Area 182.83
LOGP Value 4.29      (Computed with XLOGP3)
5.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 7
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): Q2MHR1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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