Browse entries in the PDBbind-CN Database

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Related entries of code: 6gu3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5lqfRCSB PDB    PDBbind84aa, >5LQF_3|Chains... *
6gu2RCSB PDB    PDBbind84aa, >6GU2_3|Chain... at 100%
6gu4RCSB PDB    PDBbind84aa, >6GU4_3|Chain... at 100%
6gu6RCSB PDB    PDBbind84aa, >6GU6_2|Chain... at 100%
6gu7RCSB PDB    PDBbind84aa, >6GU7_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6gu7RCSB PDB    PDBbindFB8
6gueRCSB PDB    PDBbindFB8
6guhRCSB PDB    PDBbindFB8
Entry Information
PDB ID6gu3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCDK1
Ligand NameFB8
EC.Number E.C.-.-.-.-
Resolution 2.65(Å)
Affinity (Kd/Ki/IC50)Kd=4400nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Cell Chem Biol Vol. 26: pp. 121-130
Ligand Properties
Formula C18H21N5O2S
Molecular Weight 371.457
Exact Mass 371.142
No. of atoms 47
No. of bonds 49
Polar Surface Area 98.15
LOGP Value 2.21      (Computed with XLOGP3)
4.53      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
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): P06493  P33552  K9J4F7  P14635  
Entrez Gene IDNCBI Entrez Gene ID: 983  1164  891  
ASDInformation of known allosteric effects of PDB entries
 
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