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Related entries of code: 3tne
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3fv3RCSB PDB    PDBbind339aa, >3FV3_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1hxwRCSB PDB    PDBbindRIT
1sh9RCSB PDB    PDBbindRIT
3prsRCSB PDB    PDBbindRIT
4eyrRCSB PDB    PDBbindRIT
Entry Information
PDB ID3tne
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameprotease Sapp1p from Candida parapsilosis
Ligand NameRIT
EC.Number E.C.3.4.23.24
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=1.9uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J Enzyme Inhib Med Chem Vol. 27: pp. 160-165
Ligand Properties
Formula C37H48N6O5S2
Molecular Weight 720.944
Exact Mass 720.313
No. of atoms 98
No. of bonds 101
Polar Surface Area 202.26
LOGP Value 6.05      (Computed with XLOGP3)
7.08      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
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): P32951  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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