Browse entries in the PDBbind-CN Database

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Related entries of code: 5tnt
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%
5egmRCSB PDB    PDBbind62aa, >5EGM_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 ID5tnt
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCoagulation factor IX
Ligand Name7GQ
EC.Number E.C.-.-.-.-
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)IC50=4.9nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Bioorg. Med. Chem. Lett. Vol. 27: pp. 2622-2628
Ligand Properties
Formula C22H20Cl2N8O2
Molecular Weight 499.353
Exact Mass 498.109
No. of atoms 54
No. of bonds 59
Polar Surface Area 127.99
LOGP Value 3.77      (Computed with XLOGP3)
4.44      (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: 10
No. of Rings: 6
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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