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: 6pnm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yqmRCSB PDB    PDBbind244aa, >4YQM_1|Chains... *
4yquRCSB PDB    PDBbind244aa, >4YQU_1|Chains... at 100%
4yqvRCSB PDB    PDBbind244aa, >4YQV_1|Chains... at 100%
6pnnRCSB PDB    PDBbind240aa, >6PNN_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 ID6pnm
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman GSTO1-1
Ligand NameXX0
EC.Number E.C.-.-.-.-
Resolution 1.82(Å)
Affinity (Kd/Ki/IC50)Ki=6.7uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2020) J.Med.Chem. Vol. : pp. 2894-2914
Ligand Properties
Formula C12H15ClN2O4S
Molecular Weight 318.777
Exact Mass 318.044
No. of atoms 35
No. of bonds 36
Polar Surface Area 84.09
LOGP Value 0.50      (Computed with XLOGP3)
2.41      (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: 6
No. of Rings: 2
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