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: 6n95
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6n97RCSB PDB    PDBbind261aa, >6N97_1|Chains... at 100%
6n96RCSB PDB    PDBbind261aa, >6N96_1|Chains... at 100%
6n94RCSB PDB    PDBbind261aa, >6N94_1|Chains... at 100%
6n93RCSB PDB    PDBbind261aa, >6N93_1|Chains... at 100%
6n92RCSB PDB    PDBbind261aa, >6N92_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6n95
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMethylmalonyl-CoA decarboxylase
Ligand NameYXS
EC.Number E.C.-.-.-.-
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=7.5uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J. Am. Chem. Soc. Vol. 141: pp. 5121-5124
Ligand Properties
Formula C24H45N7O20P3S2
Molecular Weight 908.700
Exact Mass 908.137
No. of atoms 101
No. of bonds 103
Polar Surface Area 525.17
LOGP Value -6.57      (Computed with XLOGP3)
-0.67      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 24
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 3
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): P52045  
Entrez Gene IDNCBI Entrez Gene ID: 61755028  947408  
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