Browse entries in the PDBbind-CN Database

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Related entries of code: 4q1f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ipxRCSB PDB    PDBbind241aa, >3IPX_1|Chain... at 99%
3ipyRCSB PDB    PDBbind241aa, >3IPY_1|Chains... at 99%
4jljRCSB PDB    PDBbind280aa, >4JLJ_1|Chains... at 95%
4jlmRCSB PDB    PDBbind280aa, >4JLM_1|Chains... at 95%
4jlnRCSB PDB    PDBbind280aa, >4JLN_1|Chains... at 95%
4kcgRCSB PDB    PDBbind280aa, >4KCG_1|Chains... at 95%
4q18RCSB PDB    PDBbind280aa, >4Q18_1|Chains... at 95%
4q19RCSB PDB    PDBbind280aa, >4Q19_1|Chains... at 95%
4q1aRCSB PDB    PDBbind280aa, >4Q1A_1|Chains... at 95%
4q1bRCSB PDB    PDBbind280aa, >4Q1B_1|Chains... at 95%
4q1cRCSB PDB    PDBbind280aa, >4Q1C_1|Chains... at 95%
4q1dRCSB PDB    PDBbind280aa, >4Q1D_1|Chains... at 95%
4q1eRCSB PDB    PDBbind280aa, >4Q1E_1|Chains... at 95%
5mqlRCSB PDB    PDBbind289aa, >5MQL_1|Chains... *
5mqtRCSB PDB    PDBbind289aa, >5MQT_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 ID4q1f
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDeoxycytidine kinase dCK C4S-S74E
Ligand Name2XN
EC.Number E.C.2.7.1.74
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=9.2nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 9480-9494
Ligand Properties
Formula C20H26N6O4S3
Molecular Weight 510.653
Exact Mass 510.118
No. of atoms 59
No. of bonds 61
Polar Surface Area 217.26
LOGP Value 2.42      (Computed with XLOGP3)
5.50      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 10
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): P27707  
Entrez Gene IDNCBI Entrez Gene ID: 1633  
ASDInformation of known allosteric effects of PDB entries
 
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