Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

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.3.5.3.18
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

 
This site has been visited times since Nov 2007.


Address: 826 Zhangheng Road, Shanghai 201203, People's Republic of China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@fudan.edu.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2020    Department of Medicinal Chemistry, School of Pharmacy, Fudan University, P.R. China