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Related entries of code: 1ta6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1nt1RCSB PDB    PDBbind11aa, >1NT1_2|Chain... *
1ta2RCSB PDB    PDBbind11aa, >1TA2_2|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 ID1ta6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namethrombin alpha
Ligand Name177
EC.Number E.C.3.4.21.5
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=0.74nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. v41 pp. 3210-9, 1998
Ligand Properties
Formula C24H36ClN4O4
Molecular Weight 480.020
Exact Mass 479.243
No. of atoms 69
No. of bonds 71
Polar Surface Area 115.38
LOGP Value 2.89      (Computed with XLOGP3)
2.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 8
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): P28504  P00734  
Entrez Gene IDNCBI Entrez Gene ID: 2147  
ASDInformation of known allosteric effects of PDB entries

 
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