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: 5ni0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2yz3RCSB PDB    PDBbind266aa, >2YZ3_1|Chains... *
4c1dRCSB PDB    PDBbind242aa, >4C1D_1|Chains... at 99%
4c1eRCSB PDB    PDBbind242aa, >4C1E_1|Chains... at 99%
4pvoRCSB PDB    PDBbind242aa, >4PVO_1|Chains... at 99%
4pvtRCSB PDB    PDBbind242aa, >4PVT_1|Chains... at 99%
5acwRCSB PDB    PDBbind266aa, >5ACW_1|Chains... at 100%
5acxRCSB PDB    PDBbind266aa, >5ACX_1|Chains... at 100%
5fqcRCSB PDB    PDBbind242aa, >5FQC_1|Chains... at 99%
5k48RCSB PDB    PDBbind242aa, >5K48_1|Chains... at 99%
5lcaRCSB PDB    PDBbind266aa, >5LCA_1|Chain... at 100%
5lcfRCSB PDB    PDBbind266aa, >5LCF_1|Chain... at 100%
5lchRCSB PDB    PDBbind266aa, >5LCH_1|Chain... at 100%
5le1RCSB PDB    PDBbind266aa, >5LE1_1|Chain... at 100%
5lm6RCSB PDB    PDBbind266aa, >5LM6_1|Chains... at 100%
5lscRCSB PDB    PDBbind240aa, >5LSC_1|Chains... at 100%
5mm9RCSB PDB    PDBbind241aa, >5MM9_1|Chains... at 99%
5mxqRCSB PDB    PDBbind231aa, >5MXQ_1|Chain... at 100%
5mxrRCSB PDB    PDBbind232aa, >5MXR_1|Chain... at 100%
5n4sRCSB PDB    PDBbind232aa, >5N4S_1|Chains... at 99%
5n4tRCSB PDB    PDBbind234aa, >5N4T_1|Chains... at 100%
5nhzRCSB PDB    PDBbind266aa, >5NHZ_1|Chains... at 100%
5y6dRCSB PDB    PDBbind231aa, >5Y6D_1|Chains... at 100%
5y6eRCSB PDB    PDBbind231aa, >5Y6E_1|Chains... at 100%
6ew3RCSB PDB    PDBbind232aa, >6EW3_1|Chains... at 100%
6hf5RCSB PDB    PDBbind231aa, >6HF5_1|Chain... at 100%
6o5tRCSB PDB    PDBbind242aa, >6O5T_1|Chains... at 99%
6jn6RCSB PDB    PDBbind231aa, >6JN6_1|Chains... at 100%
6j8rRCSB PDB    PDBbind231aa, >6J8R_1|Chain... at 100%
6dd1RCSB PDB    PDBbind242aa, >6DD1_1|Chains... at 99%
5o7nRCSB PDB    PDBbind254aa, >5O7N_1|Chains... at 94%
6dd0RCSB PDB    PDBbind242aa, >6DD0_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5ni0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-lactamase class B VIM-2
Ligand Name8XW
EC.Number E.C.-.-.-.-
Resolution 1.67(Å)
Affinity (Kd/Ki/IC50)IC50=1.8uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Eur J Med Chem Vol. 135: pp. 159-173
Ligand Properties
Formula C14H22O4PS
Molecular Weight 317.361
Exact Mass 317.098
No. of atoms 42
No. of bonds 42
Polar Surface Area 116.65
LOGP Value 1.95      (Computed with XLOGP3)
2.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 4
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): Q9K2N0  
Entrez Gene IDNCBI Entrez Gene ID: 61723701  
ASDInformation of known allosteric effects of PDB entries
 
This site has been visited times since Nov 2007.


Copyright ©2007-2025    上海盈赛思信息科技有限公司    网站备案号：沪ICP备2021015625号-3    沪公网安备：正在申请中


Technical Support（技术支持）: yingsaisi@foxmail.com