Browse entries in the PDBbind-CN Database

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Related entries of code: 5mqt
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%
4q1fRCSB PDB    PDBbind280aa, >4Q1F_1|Chains... at 95%
5mqlRCSB PDB    PDBbind289aa, >5MQL_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1iepRCSB PDB    PDBbindSTI
1t46RCSB PDB    PDBbindSTI
1xbbRCSB PDB    PDBbindSTI
2hyyRCSB PDB    PDBbindSTI
2oiqRCSB PDB    PDBbindSTI
2pl0RCSB PDB    PDBbindSTI
3gvuRCSB PDB    PDBbindSTI
3hecRCSB PDB    PDBbindSTI
4bkjRCSB PDB    PDBbindSTI
Entry Information
PDB ID5mqt
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDeoxycytidine kinase
Ligand NameSTI
EC.Number E.C.-.-.-.-
Resolution 3.2(Å)
Affinity (Kd/Ki/IC50)Kd=2uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Nat Commun Vol. 8: pp. 1420-1420
Ligand Properties
Formula C29H33N7O
Molecular Weight 495.619
Exact Mass 495.275
No. of atoms 70
No. of bonds 74
Polar Surface Area 88.68
LOGP Value 3.52      (Computed with XLOGP3)
5.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
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): P27707  
Entrez Gene IDNCBI Entrez Gene ID: 1633  
ASDInformation of known allosteric effects of PDB entries
 
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