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: 4gwk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1pgpRCSB PDB    PDBbind482aa, >1PGP_1|Chain... at 94%
5uq9RCSB PDB    PDBbind489aa, >5UQ9_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1iihRCSB PDB    PDBbind3PG
3c39RCSB PDB    PDBbind3PG
3fjgRCSB PDB    PDBbind3PG

Entry Information
PDB ID4gwk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name6-phosphogluconate dehydrogenase, decarboxylating
Ligand Name3PG
EC.Number E.C.1.1.1.44
Resolution 1.53(Å)
Affinity (Kd/Ki/IC50)Kd=460uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Cancer Cell Vol. 22: pp. 585-600
Ligand Properties
Formula C3H8O7P
Molecular Weight 187.065
Exact Mass 187.001
No. of atoms 19
No. of bonds 18
Polar Surface Area 141.04
LOGP Value -1.89      (Computed with XLOGP3)
-1.90      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 3
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): P52209  
Entrez Gene IDNCBI Entrez Gene ID: 5226  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Copyright ©2007-2021    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