Browse entries in the PDBbind-CN Database

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Related entries of code: 3hit
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3hivRCSB PDB    PDBbind259aa, >3HIV_1|Chains... at 100%
3hiwRCSB PDB    PDBbind259aa, >3HIW_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 ID3hit
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameSaporin-L1
Ligand NameDYN
EC.Number E.C.3.2.2.22
Resolution 2.29(Å)
Affinity (Kd/Ki/IC50)Ki=6.4nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Proc.Natl.Acad.Sci.USA Vol. 106: pp. 20276-20281
Ligand Properties
Formula C30H52N10O17P3
Molecular Weight 917.712
Exact Mass 917.272
No. of atoms 112
No. of bonds 117
Polar Surface Area 439.32
LOGP Value -4.59      (Computed with XLOGP3)
-0.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 25
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 6
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): Q2QEH4  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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