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Related entries of code: 3p8p
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2jajRCSB PDB    PDBbind289aa, >2JAJ:B|PDBID|CHAIN|... at 98%
3i4aRCSB PDB    PDBbind308aa, >3I4A:B|PDBID|CHAIN|... at 100%
3p8eRCSB PDB    PDBbind308aa, >3P8E:B|PDBID|CHAIN|... at 100%
6dgeRCSB PDB    PDBbind308aa, >6DGE:A|PDBID|CHAIN|... 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 ID3p8p
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameN(G),N(G)-dimethylarginine dimethylaminohydrolase 1 C274S mutant(DDAH-1 C274S
Ligand NameLN6
EC.Number E.C.
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=28uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference(2011) Chemmedchem Vol. 6: pp. 81-88
Ligand Properties
Formula C10H23N3O2
Molecular Weight 217.309
Exact Mass 217.179
No. of atoms 38
No. of bonds 37
Polar Surface Area 104.93
LOGP Value 0.25      (Computed with XLOGP3)
-1.21      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 0
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): O94760  
Entrez Gene IDNCBI Entrez Gene ID: 23576  
ASDInformation of known allosteric effects of PDB entries

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