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: 4lv4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4a22RCSB PDB    PDBbind344aa, >4A22_1|Chains... at 100%
4delRCSB PDB    PDBbind349aa, >4DEL_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4ucuRCSB PDB    PDBbind8HC

Entry Information
PDB ID4lv4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameM. tuberculosis's class IIa fructose 1,6-bisphosphate aldolase, MtFBA
Ligand Name8HC
EC.Number E.C.4.1.2.13
Resolution 2.08(Å)
Affinity (Kd/Ki/IC50)IC50=10uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Biochemistry Vol. 53: pp. 202-213
Ligand Properties
Formula C10H7NO3
Molecular Weight 189.167
Exact Mass 189.043
No. of atoms 21
No. of bonds 22
Polar Surface Area 70.42
LOGP Value 2.48      (Computed with XLOGP3)
1.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
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): P9WQA3  
Entrez Gene IDNCBI Entrez Gene ID: 45424328  886474  
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