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Related entries of code: 4yuw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yuxRCSB PDB    PDBbind304aa, >4YUX_1|Chains... at 100%
4yuyRCSB PDB    PDBbind304aa, >4YUY_1|Chains... at 100%
4yuzRCSB PDB    PDBbind304aa, >4YUZ_1|Chains... at 100%
4yv0RCSB PDB    PDBbind304aa, >4YV0_1|Chains... at 100%
4yv1RCSB PDB    PDBbind304aa, >4YV1_1|Chains... at 100%
4yv2RCSB PDB    PDBbind304aa, >4YV2_1|Chains... at 100%
5b1sRCSB PDB    PDBbind304aa, >5B1S_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 ID4yuw
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSpermidine synthase, putative
Ligand Name4JU
EC.Number E.C.2.5.1.16
Resolution 1.97(Å)
Affinity (Kd/Ki/IC50)IC50=1.7uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acta Crystallogr.,Sect.D Vol. 71: pp. 1879-1889
Ligand Properties
Formula C7H16N
Molecular Weight 114.209
Exact Mass 114.128
No. of atoms 24
No. of bonds 24
Polar Surface Area 27.64
LOGP Value 1.35      (Computed with XLOGP3)
0.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 1
No. of Rings: 1
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): Q4DA73  
Entrez Gene IDNCBI Entrez Gene ID: 3542221  
ASDInformation of known allosteric effects of PDB entries

 
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