Browse entries in the PDBbind-CN Database

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Related entries of code: 1aht
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1tmbRCSB PDB    PDBbind13aa, >1TMB_3|Chain... 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 ID1aht
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethrombin alpha
Ligand NameAPA
EC.Number E.C.3.4.21.5
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Ki=0.62uM
Release Year1996
Protein/NA SequenceCheck fasta file
Primary Reference Arch.Biochem.Biophys. v322 pp. 198-203, 1995
Ligand Properties
Formula C10H13N2O3
Molecular Weight 209.222
Exact Mass 209.093
No. of atoms 28
No. of bonds 28
Polar Surface Area 109.14
LOGP Value 2.80      (Computed with XLOGP3)
-1.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
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): P01050  P00734  
Entrez Gene IDNCBI Entrez Gene ID: 2147  
ASDInformation of known allosteric effects of PDB entries

 
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