Browse entries in the PDBbind-CN Database

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Related entries of code: 4wkn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3nm6RCSB PDB    PDBbind230aa, >3NM6_1|Chain... at 99%
4ffsRCSB PDB    PDBbind239aa, >4FFS_1|Chain... at 98%
4wkoRCSB PDB    PDBbind245aa, >4WKO_1|Chain... at 100%
4wkpRCSB PDB    PDBbind245aa, >4WKP_1|Chains... at 100%
4ynbRCSB PDB    PDBbind245aa, >4YNB_1|Chain... at 100%
4yo8RCSB PDB    PDBbind245aa, >4YO8_1|Chains... at 100%
6dyyRCSB PDB    PDBbind245aa, >6DYY_1|Chains... at 100%
6dywRCSB PDB    PDBbind245aa, >6DYW_1|Chains... at 100%
6dyvRCSB PDB    PDBbind245aa, >6DYV_1|Chains... at 100%
6dyuRCSB PDB    PDBbind245aa, >6DYU_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1y6qRCSB PDB    PDBbindTDI
4f2wRCSB PDB    PDBbindTDI
4wkbRCSB PDB    PDBbindTDI
4x24RCSB PDB    PDBbindTDI
6ayqRCSB PDB    PDBbindTDI
Entry Information
PDB ID4wkn
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHelicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN)
Ligand NameTDI
EC.Number E.C.3.2.2.30
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=0.19nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Am.Chem.Soc. Vol. 137: pp. 14275-14280
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): Q9ZMY2  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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