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Related entries of code: 4yzu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3lc3RCSB PDB    PDBbind57aa, >3LC3_2|Chains... at 98%
3lc5RCSB PDB    PDBbind57aa, >3LC5_2|Chain... at 98%
4z0kRCSB PDB    PDBbind62aa, >4Z0K_2|Chain... at 100%
4zaeRCSB PDB    PDBbind62aa, >4ZAE_2|Chain... at 100%
5egmRCSB PDB    PDBbind62aa, >5EGM_2|Chain... at 100%
5tntRCSB PDB    PDBbind62aa, >5TNT_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 ID4yzu
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCoagulation factor IX
Ligand Name4K6
EC.Number E.C.3.4.21.22
Resolution 1.41(Å)
Affinity (Kd/Ki/IC50)Ki=9uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Bioorg.Med.Chem.Lett. Vol. 25: pp. 2321-2325
Ligand Properties
Formula C20H20N6O
Molecular Weight 360.412
Exact Mass 360.170
No. of atoms 47
No. of bonds 50
Polar Surface Area 88.49
LOGP Value 2.65      (Computed with XLOGP3)
3.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
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): P00740  
Entrez Gene IDNCBI Entrez Gene ID: 2158  
ASDInformation of known allosteric effects of PDB entries
 
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