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Related entries of code: 4z0k
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%
4yzuRCSB PDB    PDBbind62aa, >4YZU_2|Chain... *
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 ID4z0k
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCoagulation factor IX
Ligand Name4LN
EC.Number E.C.3.4.21.22
Resolution 1.41(Å)
Affinity (Kd/Ki/IC50)Ki=0.462uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Bioorg.Med.Chem.Lett. Vol. 25: pp. 2321-2325
Ligand Properties
Formula C22H22N6O2
Molecular Weight 402.449
Exact Mass 402.180
No. of atoms 52
No. of bonds 56
Polar Surface Area 97.34
LOGP Value 2.18      (Computed with XLOGP3)
3.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
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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