Browse entries in the PDBbind-CN Database

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Related entries of code: 4oue
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ozoRCSB PDB    PDBbind469aa, >4OZO_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1px4RCSB PDB    PDBbindIPT
3dyoRCSB PDB    PDBbindIPT
3i3dRCSB PDB    PDBbindIPT
3muzRCSB PDB    PDBbindIPT
3t08RCSB PDB    PDBbindIPT
3t0bRCSB PDB    PDBbindIPT
3t2pRCSB PDB    PDBbindIPT
3vd4RCSB PDB    PDBbindIPT
3vd9RCSB PDB    PDBbindIPT
3vdcRCSB PDB    PDBbindIPT
Entry Information
PDB ID4oue
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePutative lipoprotein BT2192
Ligand NameIPT
EC.Number E.C.3.2.1.111
Resolution 2.35(Å)
Affinity (Kd/Ki/IC50)Ki>500uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Biochemistry Vol. 53: pp. 1447-1455
Ligand Properties
Formula C9H18O5S
Molecular Weight 238.301
Exact Mass 238.087
No. of atoms 33
No. of bonds 33
Polar Surface Area 115.45
LOGP Value -0.46      (Computed with XLOGP3)
-1.07      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
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): Q8A5P6  
Entrez Gene IDNCBI Entrez Gene ID: 60923361  
ASDInformation of known allosteric effects of PDB entries
 
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