Browse entries in the PDBbind-CN Database

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Related entries of code: 4f2w
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%
4f3cRCSB PDB    PDBbind248aa, >4F3C_1|Chains... at 100%
4f3kRCSB PDB    PDBbind248aa, >4F3K_1|Chains... at 100%
4wkcRCSB PDB    PDBbind245aa, >4WKC_1|Chain... at 90%
4ymlRCSB PDB    PDBbind245aa, >4YML_1|Chain... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1y6qRCSB PDB    PDBbindTDI
4wkbRCSB PDB    PDBbindTDI
4wknRCSB PDB    PDBbindTDI
4x24RCSB PDB    PDBbindTDI
6ayqRCSB PDB    PDBbindTDI
Entry Information
PDB ID4f2w
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Ligand NameTDI
EC.Number E.C.3.2.2.9
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=5.0pM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Structure Vol. 21: pp. 963-974
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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