Browse entries in the PDBbind-CN Database

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Related entries of code: 4uin
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4uilRCSB PDB    PDBbind213aa, >4UIL_2|Chain... at 95%
4zptRCSB PDB    PDBbind214aa, >4ZPT_2|Chains... at 93%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4uilRCSB PDB    PDBbindQI9
5zncRCSB PDB    PDBbindQI9

Entry Information
PDB ID4uin
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namequinine-dependent Fab 314.3
Ligand NameQI9
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=24nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Blood Vol. 126: pp. 2138-2145
Ligand Properties
Formula C20H25N2O2
Molecular Weight 325.425
Exact Mass 325.192
No. of atoms 49
No. of bonds 52
Polar Surface Area 46.79
LOGP Value 2.83      (Computed with XLOGP3)
3.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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