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: 4yqm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yquRCSB PDB    PDBbind244aa, >4YQU_1|Chains... at 100%
4yqvRCSB PDB    PDBbind244aa, >4YQV_1|Chains... at 100%
6pnnRCSB PDB    PDBbind240aa, >6PNN_1|Chain... at 100%
6pnmRCSB PDB    PDBbind240aa, >6PNM_1|Chain... at 100%
6mhdRCSB PDB    PDBbind244aa, >6MHD_1|Chains... at 100%
6mhcRCSB PDB    PDBbind244aa, >6MHC_1|Chains... at 100%
6mhbRCSB PDB    PDBbind244aa, >6MHB_1|Chains... at 100%
6pnoRCSB PDB    PDBbind240aa, >6PNO_1|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 ID4yqm
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGlutathione S-transferase omega-1 (GSTO1)
Ligand Name4G9
EC.Number E.C.2.5.1.18
Resolution 2.38(Å)
Affinity (Kd/Ki/IC50)IC50=31nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Nat Commun Vol. 7: pp. 13084-13084
Ligand Properties
Formula C10H13ClN2O3S
Molecular Weight 276.740
Exact Mass 276.034
No. of atoms 30
No. of bonds 30
Polar Surface Area 74.86
LOGP Value 0.87      (Computed with XLOGP3)
2.70      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
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): P78417  
Entrez Gene IDNCBI Entrez Gene ID: 9446  
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