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Related entries of code: 5aut
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2yakRCSB PDB    PDBbind285aa, >2YAK_1|Chain... at 100%
4txcRCSB PDB    PDBbind304aa, >4TXC_1|Chain... *
5auuRCSB PDB    PDBbind293aa, >5AUU_1|Chain... at 97%
5auvRCSB PDB    PDBbind293aa, >5AUV_1|Chain... at 97%
5auwRCSB PDB    PDBbind293aa, >5AUW_1|Chain... at 97%
5auxRCSB PDB    PDBbind293aa, >5AUX_1|Chain... at 97%
5auyRCSB PDB    PDBbind293aa, >5AUY_1|Chain... at 97%
5auzRCSB PDB    PDBbind293aa, >5AUZ_1|Chain... at 97%
5av0RCSB PDB    PDBbind293aa, >5AV0_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ow4RCSB PDB    PDBbind2AN
2ansRCSB PDB    PDBbind2AN
2worRCSB PDB    PDBbind2AN
3cfnRCSB PDB    PDBbind2AN
3pxfRCSB PDB    PDBbind2AN
3pxqRCSB PDB    PDBbind2AN

Entry Information
PDB ID5aut
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameDeath-associated protein kinase 1, DAPK1
Ligand Name2AN
EC.Number E.C.2.7.11.1
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=6.7uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 7400-7408
Ligand Properties
Formula C16H15NO3S
Molecular Weight 301.360
Exact Mass 301.077
No. of atoms 36
No. of bonds 38
Polar Surface Area 98.02
LOGP Value 3.54      (Computed with XLOGP3)
5.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
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): P53355  
Entrez Gene IDNCBI Entrez Gene ID: 1612  
ASDInformation of known allosteric effects of PDB entries

 
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