Browse entries in the PDBbind-CN Database

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Related entries of code: 2a2x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1nzqRCSB PDB    PDBbind11aa, >1NZQ_3|Chain... *
1o0dRCSB PDB    PDBbind11aa, >1O0D_3|Chain... at 100%
2ankRCSB PDB    PDBbind11aa, >2ANK_3|Chain... at 100%
2feqRCSB PDB    PDBbind11aa, >2FEQ_3|Chain... at 100%
2fesRCSB PDB    PDBbind11aa, >2FES_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 ID2a2x
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethrombin light chain
Ligand NameNA9
EC.Number E.C.3.4.21.5
Resolution 2.44(Å)
Affinity (Kd/Ki/IC50)IC50=20.2nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference BIOORG.MED.CHEM.LETT. v16 pp. 2648-53, 2006
Ligand Properties
Formula C22H36N6O4
Molecular Weight 448.559
Exact Mass 448.280
No. of atoms 68
No. of bonds 69
Polar Surface Area 167.82
LOGP Value 1.65      (Computed with XLOGP3)
-0.91      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 2
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): P00734  
Entrez Gene IDNCBI Entrez Gene ID: 2147  
ASDInformation of known allosteric effects of PDB entries

 
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