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: 2ca8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1oe7RCSB PDB    PDBbind211aa, >1OE7_1|Chains... *
1oe8RCSB PDB    PDBbind211aa, >1OE8_1|Chains... at 100%
2c80RCSB PDB    PDBbind211aa, >2C80_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1lbkRCSB PDB    PDBbindGSH
1oe7RCSB PDB    PDBbindGSH
1oe8RCSB PDB    PDBbindGSH
1r4wRCSB PDB    PDBbindGSH
2imdRCSB PDB    PDBbindGSH
3c8eRCSB PDB    PDBbindGSH
3e73RCSB PDB    PDBbindGSH
3lvwRCSB PDB    PDBbindGSH
4g0lRCSB PDB    PDBbindGSH
4g19RCSB PDB    PDBbindGSH
4myhRCSB PDB    PDBbindGSH
4yslRCSB PDB    PDBbindGSH
5g5fRCSB PDB    PDBbindGSH
Entry Information
PDB ID2ca8
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameglutathione s-transferase 28 kda
Ligand NameGSH
EC.Number E.C.2.5.1.18
Resolution 2.49(Å)
Affinity (Kd/Ki/IC50)Kd=22uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol.v360;pp.678
Ligand Properties
Formula C10H18N3O6S
Molecular Weight 308.331
Exact Mass 308.092
No. of atoms 38
No. of bonds 37
Polar Surface Area 199.24
LOGP Value -2.73      (Computed with XLOGP3)
-2.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 9
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): P30113  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
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