Browse entries in the PDBbind-CN Database

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Related entries of code: 5lqf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6gu2RCSB PDB    PDBbind84aa, >6GU2_3|Chain... at 100%
6gu3RCSB PDB    PDBbind84aa, >6GU3_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
1h1sRCSB PDB    PDBbind4SP
2c6oRCSB PDB    PDBbind4SP
2iw8RCSB PDB    PDBbind4SP
2iw9RCSB PDB    PDBbind4SP
4eokRCSB PDB    PDBbind4SP
4eorRCSB PDB    PDBbind4SP
5m57RCSB PDB    PDBbind4SP

Entry Information
PDB ID5lqf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCyclin-dependent kinase 1
Ligand Name4SP
EC.Number E.C.-.-.-.-
Resolution 2.06(Å)
Affinity (Kd/Ki/IC50)IC50=0.25uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 1746-1767
Ligand Properties
Formula C18H22N6O3S
Molecular Weight 402.471
Exact Mass 402.147
No. of atoms 50
No. of bonds 53
Polar Surface Area 144.26
LOGP Value 3.22      (Computed with XLOGP3)
4.56      (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: 9
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): P06493  P33552  P14635  
Entrez Gene IDNCBI Entrez Gene ID: 983  1164  891  
ASDInformation of known allosteric effects of PDB entries

 
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