Browse entries in the PDBbind-CN Database

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Related entries of code: 6b3v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5kqdRCSB PDB    PDBbind380aa, >5KQD_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6b3v
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namepantothenate kinase associated neurodegeneration 3
Ligand Name7DQ
EC.Number E.C.-.-.-.-
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Kd=203pM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Nat Commun Vol. 9: pp. 4399-4399
Ligand Properties
Formula C20H23N5O
Molecular Weight 349.430
Exact Mass 349.190
No. of atoms 49
No. of bonds 51
Polar Surface Area 73.12
LOGP Value 2.35      (Computed with XLOGP3)
2.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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): Q9H999  
Entrez Gene IDNCBI Entrez Gene ID: 79646  
ASDInformation of known allosteric effects of PDB entries

 
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