Browse entries in the PDBbind-CN Database

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Related entries of code: 6n3n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6n3oRCSB PDB    PDBbind317aa, >6N3O_1|Chain... at 99%
6n3lRCSB PDB    PDBbind330aa, >6N3L_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6n3lRCSB PDB    PDBbindKAV
Entry Information
PDB ID6n3n
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGCN2
Ligand NameKAV
EC.Number E.C.-.-.-.-
Resolution 3.01(Å)
Affinity (Kd/Ki/IC50)IC50=1.8nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Med.Chem.Lett. Vol. 10: pp. 1498-1503
Ligand Properties
Formula C19H12Cl2F2N4O3S
Molecular Weight 485.291
Exact Mass 483.998
No. of atoms 43
No. of bonds 45
Polar Surface Area 126.58
LOGP Value 2.97      (Computed with XLOGP3)
5.07      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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): Q9P2K8  
Entrez Gene IDNCBI Entrez Gene ID: 440275  
ASDInformation of known allosteric effects of PDB entries
 
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