Browse entries in the PDBbind-CN Database

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Related entries of code: 4wkc
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%
4ymlRCSB PDB    PDBbind245aa, >4YML_1|Chain... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3dp9RCSB PDB    PDBbindBIG
4f3cRCSB PDB    PDBbindBIG
4ffsRCSB PDB    PDBbindBIG
6ayrRCSB PDB    PDBbindBIG
Entry Information
PDB ID4wkc
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameVibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN)
Ligand NameBIG
EC.Number E.C.3.2.2.9
Resolution 1.64(Å)
Affinity (Kd/Ki/IC50)Ki=0.21pM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Biochemistry Vol. 54: pp. 2520-2529
Ligand Properties
Formula C16H26N5OS
Molecular Weight 336.476
Exact Mass 336.186
No. of atoms 49
No. of bonds 51
Polar Surface Area 117.56
LOGP Value 1.22      (Computed with XLOGP3)
2.60      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
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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