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Related entries of code: 4ydf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2b7fRCSB PDB    PDBbind116aa, >2B7F_1|Chains... *
4ydgRCSB PDB    PDBbind116aa, >4YDG_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4ydf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHTLV-1 Protease
Ligand Name4B1
EC.Number E.C.-.-.-.-
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Ki=7.9uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 4845-4850
Ligand Properties
Formula C30H30N5O8S2
Molecular Weight 652.718
Exact Mass 652.154
No. of atoms 75
No. of bonds 79
Polar Surface Area 199.77
LOGP Value 4.04      (Computed with XLOGP3)
7.68      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 5
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): Q82134  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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