Browse entries in the PDBbind-CN Database

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Related entries of code: 4wkb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3dp9RCSB PDB    PDBbind231aa, >3DP9_1|Chains... at 100%
4x24RCSB PDB    PDBbind244aa, >4X24_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1y6qRCSB PDB    PDBbindTDI
4f2wRCSB PDB    PDBbindTDI
4wknRCSB PDB    PDBbindTDI
4x24RCSB PDB    PDBbindTDI
6ayqRCSB PDB    PDBbindTDI
Entry Information
PDB ID4wkb
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameVibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN)
Ligand NameTDI
EC.Number E.C.3.2.2.9
Resolution 1.37(Å)
Affinity (Kd/Ki/IC50)Ki=2.7pM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Biochemistry Vol. 54: pp. 2520-2529
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): A5F5R2  
Entrez Gene IDNCBI Entrez Gene ID: 57740987  
ASDInformation of known allosteric effects of PDB entries
 
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