Browse entries in the PDBbind-CN Database

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Related entries of code: 4cg9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3g15RCSB PDB    PDBbind401aa, >3G15_1|Chains... at 95%
3zm9RCSB PDB    PDBbind383aa, >3ZM9_1|Chains... at 100%
4br3RCSB PDB    PDBbind383aa, >4BR3_1|Chains... at 100%
4cg8RCSB PDB    PDBbind383aa, >4CG8_1|Chain... at 100%
4cgaRCSB PDB    PDBbind383aa, >4CGA_1|Chain... at 100%
4da5RCSB PDB    PDBbind457aa, >4DA5_1|Chains... *
5afvRCSB PDB    PDBbind378aa, >5AFV_1|Chains... at 100%
5eqeRCSB PDB    PDBbind401aa, >5EQE_1|Chains... at 95%
5eqpRCSB PDB    PDBbind401aa, >5EQP_1|Chains... at 95%
5eqyRCSB PDB    PDBbind401aa, >5EQY_1|Chains... at 95%
5ftgRCSB PDB    PDBbind378aa, >5FTG_1|Chain... at 100%
5futRCSB PDB    PDBbind378aa, >5FUT_1|Chain... at 100%
5w6oRCSB PDB    PDBbind378aa, >5W6O_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4cg9
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHuman choline kinase a1
Ligand NameGQG
EC.Number E.C.2.7.1.32
Resolution 1.83(Å)
Affinity (Kd/Ki/IC50)Kd=0.62uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 507-515
Ligand Properties
Formula C20H21N2
Molecular Weight 289.394
Exact Mass 289.170
No. of atoms 43
No. of bonds 45
Polar Surface Area 17.29
LOGP Value 3.49      (Computed with XLOGP3)
3.90      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
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): P35790  
Entrez Gene IDNCBI Entrez Gene ID: 1119  
ASDInformation of known allosteric effects of PDB entries
 
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