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Related entries of code: 4wkp
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%
4wknRCSB PDB    PDBbind245aa, >4WKN_1|Chain... *
4wkoRCSB PDB    PDBbind245aa, >4WKO_1|Chain... 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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4wkp
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHelicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN)
Ligand Name3QA
EC.Number E.C.3.2.2.20
Resolution 1.58(Å)
Affinity (Kd/Ki/IC50)Ki=0.28nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Am.Chem.Soc. Vol. 137: pp. 14275-14280
Ligand Properties
Formula C17H28N5O3S
Molecular Weight 382.501
Exact Mass 382.191
No. of atoms 54
No. of bonds 56
Polar Surface Area 147.02
LOGP Value -0.51      (Computed with XLOGP3)
1.20      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 8
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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