Browse entries in the PDBbind-CN Database

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Related entries of code: 4jn2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4yhmRCSB PDB    PDBbind4CC
4yhoRCSB PDB    PDBbind4CC

Entry Information
PDB ID4jn2
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehumanized anti dabigatran Fab
Ligand Name4CC
EC.Number E.C.-.-.-.-
Resolution 1.71(Å)
Affinity (Kd/Ki/IC50)Kd=2.1pM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Blood Vol. 121: pp. 3554-3562
Ligand Properties
Formula C25H26N7O3
Molecular Weight 472.519
Exact Mass 472.210
No. of atoms 61
No. of bonds 64
Polar Surface Area 151.96
LOGP Value 4.96      (Computed with XLOGP3)
1.94      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 10
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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