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Related entries of code: 4yml
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jysRCSB PDB    PDBbind242aa, >1JYS_1|Chains... at 92%
1nc1RCSB PDB    PDBbind242aa, >1NC1_1|Chains... at 92%
1nc3RCSB PDB    PDBbind242aa, >1NC3_1|Chains... at 92%
1y6qRCSB PDB    PDBbind242aa, >1Y6Q_1|Chains... at 92%
1y6rRCSB PDB    PDBbind242aa, >1Y6R_1|Chains... at 92%
4f2wRCSB PDB    PDBbind248aa, >4F2W_1|Chains... *
4f3cRCSB PDB    PDBbind248aa, >4F3C_1|Chains... at 100%
4f3kRCSB PDB    PDBbind248aa, >4F3K_1|Chains... at 100%
4wkcRCSB PDB    PDBbind245aa, >4WKC_1|Chain... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4yml
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameEscherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN)
Ligand Name4F0
EC.Number E.C.
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Ki=4.5nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Bioorg.Med.Chem. Vol. 23: pp. 5326-5333
Ligand Properties
Formula C13H20N5OS
Molecular Weight 294.396
Exact Mass 294.139
No. of atoms 40
No. of bonds 42
Polar Surface Area 117.56
LOGP Value -0.03      (Computed with XLOGP3)
1.43      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): P0AF12  
Entrez Gene IDNCBI Entrez Gene ID: 61754835  948542  
ASDInformation of known allosteric effects of PDB entries

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