Browse entries in the PDBbind-CN Database

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Related entries of code: 4dko
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4dkpRCSB PDB    PDBbind353aa, >4DKP_1|Chains... at 99%
4dkqRCSB PDB    PDBbind353aa, >4DKQ_1|Chain... at 99%
4dkrRCSB PDB    PDBbind353aa, >4DKR_1|Chains... at 99%
4i54RCSB PDB    PDBbind353aa, >4I54_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4dko
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHIV-1 gp120 core
Ligand Name0LM
EC.Number E.C.-.-.-.-
Resolution 1.98(Å)
Affinity (Kd/Ki/IC50)Kd=0.3uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 4382-4396
Ligand Properties
Formula C18H26ClFN3O2
Molecular Weight 370.869
Exact Mass 370.170
No. of atoms 51
No. of bonds 52
Polar Surface Area 62.64
LOGP Value 3.36      (Computed with XLOGP3)
3.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
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): Q0ED31  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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