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Related entries of code: 3i4a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2jajRCSB PDB    PDBbind289aa, >2JAJ_1|Chains... at 98%
3p8eRCSB PDB    PDBbind308aa, >3P8E_1|Chains... at 100%
3p8pRCSB PDB    PDBbind308aa, >3P8P_1|Chains... at 99%
6dgeRCSB PDB    PDBbind308aa, >6DGE_1|Chain... at 100%
6szpRCSB PDB    PDBbind297aa, >6SZP_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3i4a
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namedimethylarginine dimethylaminohydrolase-1
Ligand NameLN5
EC.Number E.C.
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=52uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Biochemistry Vol. 48: pp. 8624-8635
Ligand Properties
Formula C8H22N3O2
Molecular Weight 192.279
Exact Mass 192.171
No. of atoms 35
No. of bonds 34
Polar Surface Area 109.19
LOGP Value -2.08      (Computed with XLOGP3)
-3.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
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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