Browse entries in the PDBbind-CN Database

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Related entries of code: 5l2i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4auaRCSB PDB    PDBbind307aa, >4AUA_1|Chain... at 98%
4ez5RCSB PDB    PDBbind307aa, >4EZ5_1|Chain... at 98%
5l2sRCSB PDB    PDBbind307aa, >5L2S_1|Chain... at 98%
5l2tRCSB PDB    PDBbind307aa, >5L2T_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2eufRCSB PDB    PDBbindLQQ
Entry Information
PDB ID5l2i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman Cyclin-dependent kinase 6, CDK6
Ligand NameLQQ
EC.Number E.C.2.7.11.22
Resolution 2.75(Å)
Affinity (Kd/Ki/IC50)Kd=40.1nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Mol.Cancer Ther. Vol. 15: pp. 2273-2281
Ligand Properties
Formula C24H30N7O2
Molecular Weight 448.541
Exact Mass 448.246
No. of atoms 63
No. of bonds 67
Polar Surface Area 109.62
LOGP Value 1.81      (Computed with XLOGP3)
3.65      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
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): Q00534  
Entrez Gene IDNCBI Entrez Gene ID: 1021  
ASDInformation of known allosteric effects of PDB entries
 
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