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: 3gzn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1xt9RCSB PDB    PDBbind76aa, >1XT9_2|Chain... at 98%
3dbhRCSB PDB    PDBbind88aa, >3DBH_3|Chains... *
3dblRCSB PDB    PDBbind88aa, >3DBL_3|Chains... at 98%
3dbrRCSB PDB    PDBbind88aa, >3DBR_3|Chains... at 100%
4hcpRCSB PDB    PDBbind78aa, >4HCP_2|Chain... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5l6iRCSB PDB    PDBbindB39

Entry Information
PDB ID3gzn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNEDD8-activating enzyme (NAE)
Ligand NameB39
EC.Number E.C.6.3.2.-
Resolution 3(Å)
Affinity (Kd/Ki/IC50)IC50=10nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Mol.Cell Vol. 37: pp. 102-111
Ligand Properties
Formula C21H25N5O4S
Molecular Weight 443.519
Exact Mass 443.163
No. of atoms 56
No. of bonds 60
Polar Surface Area 140.74
LOGP Value 1.70      (Computed with XLOGP3)
3.92      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
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): Q13564  Q8TBC4  Q15843  
Entrez Gene IDNCBI Entrez Gene ID: 8883  9039  4738  
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