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Related entries of code: 3dp9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4wkbRCSB PDB    PDBbind244aa, >4WKB_1|Chains... *
4x24RCSB PDB    PDBbind244aa, >4X24_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4f3cRCSB PDB    PDBbindBIG
4ffsRCSB PDB    PDBbindBIG
4wkcRCSB PDB    PDBbindBIG
6ayrRCSB PDB    PDBbindBIG
Entry Information
PDB ID3dp9
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMTA/SAH nucleosidase
Ligand NameBIG
EC.Number E.C.3.2.2.9
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=208pM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Nat.Chem.Biol. Vol. 5: pp. 251-257
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): Q9KPI8  
Entrez Gene IDNCBI Entrez Gene ID: 57740987  
ASDInformation of known allosteric effects of PDB entries
 
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