Browse entries in the PDBbind-CN Database

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Related entries of code: 4zae
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%
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 ID4zae
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCoagulation factor IXa
Ligand Name4M1
EC.Number E.C.3.4.21.22
Resolution 1.86(Å)
Affinity (Kd/Ki/IC50)Ki=3.6nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Bioorg.Med.Chem.Lett. Vol. 25: pp. 4945-4949
Ligand Properties
Formula C26H22Cl2N6O
Molecular Weight 505.398
Exact Mass 504.123
No. of atoms 57
No. of bonds 61
Polar Surface Area 88.49
LOGP Value 5.36      (Computed with XLOGP3)
6.02      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
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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