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Related entries of code: 3nht
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3nhiRCSB PDB    PDBbind296aa, >3NHI:A|PDBID|CHAIN|... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3nht
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nametwo-domain D7 protein from An. stephensi(AnSt- D7L1)
Ligand NameU46
EC.Number E.C.-.-.-.-
Resolution 1.45(Å)
Affinity (Kd/Ki/IC50)Kd=98nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Plos Biol. Vol. 8: pp. e1000547-e1000547
Ligand Properties
Formula C21H34O2
Molecular Weight 318.493
Exact Mass 318.256
No. of atoms 57
No. of bonds 59
Polar Surface Area 29.46
LOGP Value 5.30      (Computed with XLOGP3)
4.88      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 2
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): Q95NY5  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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