Browse entries in the PDBbind-CN Database

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Related entries of code: 6n3w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5i2eRCSB PDB    PDBbind129aa, >5I2E_1|Chains... *
5i2fRCSB PDB    PDBbind129aa, >5I2F_1|Chains... at 100%
5ipcRCSB PDB    PDBbind129aa, >5IPC_1|Chains... at 99%
5klyRCSB PDB    PDBbind129aa, >5KLY_1|Chains... at 99%
5klzRCSB PDB    PDBbind129aa, >5KLZ_1|Chains... at 100%
5km0RCSB PDB    PDBbind129aa, >5KM0_1|Chains... at 100%
5km1RCSB PDB    PDBbind129aa, >5KM1_1|Chains... at 100%
5km2RCSB PDB    PDBbind129aa, >5KM2_1|Chains... at 100%
5km3RCSB PDB    PDBbind129aa, >5KM3_1|Chains... at 100%
5kmaRCSB PDB    PDBbind129aa, >5KMA_1|Chains... at 99%
5wa8RCSB PDB    PDBbind129aa, >5WA8_1|Chains... at 99%
5wa9RCSB PDB    PDBbind129aa, >5WA9_1|Chains... at 99%
6n3yRCSB PDB    PDBbind129aa, >6N3Y_1|Chains... at 100%
6n3xRCSB PDB    PDBbind129aa, >6N3X_1|Chains... at 100%
6n3vRCSB PDB    PDBbind129aa, >6N3V_1|Chains... 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 ID6n3w
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHINT1
Ligand NameKBJ
EC.Number E.C.-.-.-.-
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Kd=1.56uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Chem Neurosci Vol. 10: pp. 4385-4393
Ligand Properties
Formula C19H23N6O6
Molecular Weight 431.423
Exact Mass 431.168
No. of atoms 54
No. of bonds 57
Polar Surface Area 178.86
LOGP Value 0.36      (Computed with XLOGP3)
-0.32      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 12
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 ACUniProt accession number (AC): P49773  
Entrez Gene IDNCBI Entrez Gene ID: 3094  
ASDInformation of known allosteric effects of PDB entries
 
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