Browse entries in the PDBbind-CN Database

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Related entries of code: 2ank
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%
2a2xRCSB PDB    PDBbind11aa, >2A2X_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 ID2ank
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethrombin heavy chain
Ligand NameN12
EC.Number E.C.3.4.21.5
Resolution 2.46(Å)
Affinity (Kd/Ki/IC50)IC50=47.3nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference BIOORG.MED.CHEM.LETT. v16 pp. 2648-53, 2006
Ligand Properties
Formula C24H38N6O4
Molecular Weight 474.596
Exact Mass 474.295
No. of atoms 72
No. of bonds 74
Polar Surface Area 176.61
LOGP Value 2.12      (Computed with XLOGP3)
0.06      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
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): P00734  
Entrez Gene IDNCBI Entrez Gene ID: 2147  
ASDInformation of known allosteric effects of PDB entries

 
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