Browse entries in the PDBbind-CN Database

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Related entries of code: 5egm
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... *
4z0kRCSB PDB    PDBbind62aa, >4Z0K_2|Chain... at 100%
4zaeRCSB PDB    PDBbind62aa, >4ZAE_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 ID5egm
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman Coagulation factor IXa
Ligand Name5NY
EC.Number E.C.3.4.21.22
Resolution 1.84(Å)
Affinity (Kd/Ki/IC50)Ki=2.4nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Bioorg.Med.Chem.Lett. Vol. 25: pp. 5437-5443
Ligand Properties
Formula C29H24ClN9O
Molecular Weight 550.014
Exact Mass 549.179
No. of atoms 64
No. of bonds 70
Polar Surface Area 119.2
LOGP Value 4.13      (Computed with XLOGP3)
5.03      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 7
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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