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: 4hso
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4uc5RCSB PDB    PDBbind351aa, >4UC5_1|Chains... at 99%
4umaRCSB PDB    PDBbind351aa, >4UMA_1|Chains... at 99%
4umbRCSB PDB    PDBbind351aa, >4UMB_1|Chains... at 99%
4umcRCSB PDB    PDBbind351aa, >4UMC_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2csmRCSB PDB    PDBbindTYR
2yppRCSB PDB    PDBbindTYR
4ts1RCSB PDB    PDBbindTYR
5uxnRCSB PDB    PDBbindTYR
6hniRCSB PDB    PDBbindTYR
Entry Information
PDB ID4hso
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3-deoxy-D-arabino-heptulosonate 7-phosphate synthase (S213G mutation)
Ligand NameTYR
EC.Number E.C.2.5.1.54
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=22uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Protein Sci. Vol. 22: pp. 1087-1099
Ligand Properties
Formula C9H12NO3
Molecular Weight 182.196
Exact Mass 182.082
No. of atoms 25
No. of bonds 25
Polar Surface Area 85.17
LOGP Value -0.88      (Computed with XLOGP3)
-0.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
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): Q9K169  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
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