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Related entries of code: 4dkq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4dkoRCSB PDB    PDBbind353aa, >4DKO_1|Chains... at 99%
4dkpRCSB PDB    PDBbind353aa, >4DKP_1|Chains... 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 ID4dkq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameclade A/E 93TH057 HIV-1 gp120 core
Ligand Name0LK
EC.Number E.C.-.-.-.-
Resolution 1.89(Å)
Affinity (Kd/Ki/IC50)Kd=0.25uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 4382-4396
Ligand Properties
Formula C18H18ClFN5O2
Molecular Weight 390.819
Exact Mass 390.113
No. of atoms 45
No. of bonds 47
Polar Surface Area 124.21
LOGP Value 3.69      (Computed with XLOGP3)
1.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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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