Browse entries in the PDBbind-CN Database

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Related entries of code: 5dht
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2i2bRCSB PDB    PDBbind272aa, >2I2B_1|Chain... *
2i2cRCSB PDB    PDBbind272aa, >2I2C_1|Chain... at 100%
4dy6RCSB PDB    PDBbind272aa, >4DY6_1|Chain... at 100%
5dhpRCSB PDB    PDBbind272aa, >5DHP_1|Chains... at 100%
5dhqRCSB PDB    PDBbind272aa, >5DHQ_1|Chains... at 100%
5dhrRCSB PDB    PDBbind272aa, >5DHR_1|Chains... at 100%
5dhsRCSB PDB    PDBbind272aa, >5DHS_1|Chains... at 100%
5dhuRCSB PDB    PDBbind272aa, >5DHU_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 ID5dht
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNAD kinase 1 from Listeria monocytogenes (LmNADK)
Ligand Name5A9
EC.Number E.C.2.7.1.23
Resolution 2.59(Å)
Affinity (Kd/Ki/IC50)Ki=1uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Eur.J.Med.Chem. Vol. 124: pp. 1041-1056
Ligand Properties
Formula C20H22BrN9O4S
Molecular Weight 564.416
Exact Mass 563.070
No. of atoms 57
No. of bonds 60
Polar Surface Area 223.46
LOGP Value 1.97      (Computed with XLOGP3)
1.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 13
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): Q8Y8D7  
Entrez Gene IDNCBI Entrez Gene ID: 986453  
ASDInformation of known allosteric effects of PDB entries

 
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