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Related entries of code: 4ydg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2b7fRCSB PDB    PDBbind116aa, >2B7F_1|Chains... *
4ydfRCSB PDB    PDBbind116aa, >4YDF_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2pwcRCSB PDB    PDBbindG3G
2r3wRCSB PDB    PDBbindG3G
2r43RCSB PDB    PDBbindG3G
Entry Information
PDB ID4ydg
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHTLV-1 protease
Ligand NameG3G
EC.Number E.C.2.7.7.49
Resolution 3.25(Å)
Affinity (Kd/Ki/IC50)Ki=0.015uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 4845-4850
Ligand Properties
Formula C30H34N5O4S2
Molecular Weight 592.752
Exact Mass 592.205
No. of atoms 75
No. of bonds 79
Polar Surface Area 160.17
LOGP Value 3.02      (Computed with XLOGP3)
7.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 9
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): P03362  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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