Browse entries in the PDBbind-CN Database

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Related entries of code: 4dkp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4dkoRCSB PDB    PDBbind353aa, >4DKO_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 ID4dkp
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameclade A/E 93TH057 HIV-1 gp120 core
Ligand Name0LL
EC.Number E.C.-.-.-.-
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Kd=1.9uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 4382-4396
Ligand Properties
Formula C17H16ClFN3O2
Molecular Weight 348.779
Exact Mass 348.092
No. of atoms 40
No. of bonds 42
Polar Surface Area 85.84
LOGP Value 2.23      (Computed with XLOGP3)
1.91      (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: 3
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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