Browse entries in the PDBbind-CN Database

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Related entries of code: 6bny
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4im0RCSB PDB    PDBbind663aa, >4IM0_1|Chain... at 98%
5w5vRCSB PDB    PDBbind660aa, >5W5V_1|Chain... at 98%
6bodRCSB PDB    PDBbind660aa, >6BOD_1|Chain... at 98%
6boeRCSB PDB    PDBbind660aa, >6BOE_1|Chain... at 98%
6cq0RCSB PDB    PDBbind660aa, >6CQ0_1|Chain... at 98%
6cq4RCSB PDB    PDBbind660aa, >6CQ4_1|Chain... at 98%
6cq5RCSB PDB    PDBbind660aa, >6CQ5_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6bny
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase TBK1
Ligand NameE0M
EC.Number E.C.2.7.11.1
Resolution 3.34(Å)
Affinity (Kd/Ki/IC50)Kd=0.4uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Mol. Pharmacol. Vol. 94: pp. 1210-1219
Ligand Properties
Formula C16H14N6O2
Molecular Weight 322.321
Exact Mass 322.118
No. of atoms 38
No. of bonds 41
Polar Surface Area 123.58
LOGP Value 2.22      (Computed with XLOGP3)
2.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 8
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): Q9UHD2  
Entrez Gene IDNCBI Entrez Gene ID: 29110  
ASDInformation of known allosteric effects of PDB entries
 
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