Browse entries in the PDBbind-CN Database

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: 2jaj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3i4aRCSB PDB    PDBbind308aa, >3I4A_1|Chains... *
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 ID2jaj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1
Ligand NameD20
EC.Number E.C.3.5.3.18
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=25uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2007) Nat.Med. (N.Y.) Vol. 13: pp. 198-203
Ligand Properties
Formula C9H22N4O3
Molecular Weight 234.296
Exact Mass 234.169
No. of atoms 38
No. of bonds 37
Polar Surface Area 126.19
LOGP Value -2.24      (Computed with XLOGP3)
-2.82      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
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.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝e湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com