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: 1h3a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1gszRCSB PDB    PDBbind631aa, >1GSZ_1|Chains... *
1h35RCSB PDB    PDBbind631aa, >1H35_1|Chains... at 100%
1h36RCSB PDB    PDBbind631aa, >1H36_1|Chains... at 100%
1h37RCSB PDB    PDBbind631aa, >1H37_1|Chains... at 100%
1h39RCSB PDB    PDBbind631aa, >1H39_1|Chains... at 100%
1h3bRCSB PDB    PDBbind631aa, >1H3B_1|Chains... at 100%
1h3cRCSB PDB    PDBbind631aa, >1H3C_1|Chains... at 100%
1o6hRCSB PDB    PDBbind631aa, >1O6H_1|Chains... at 100%
1o6qRCSB PDB    PDBbind631aa, >1O6Q_1|Chains... at 100%
1o6rRCSB PDB    PDBbind631aa, >1O6R_1|Chains... at 100%
1o79RCSB PDB    PDBbind631aa, >1O79_1|Chains... at 100%
1sqcRCSB PDB    PDBbind631aa, >1SQC_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 ID1h3a
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namesqualene-hopene cyclase
Ligand NameR04
EC.Number E.C.5.4.99.0
Resolution 2.85(Å)
Affinity (Kd/Ki/IC50)IC50=281nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem.v46;pp.2083
Ligand Properties
Formula C22H24BrFN3O
Molecular Weight 445.348
Exact Mass 444.109
No. of atoms 52
No. of bonds 54
Polar Surface Area 31.49
LOGP Value 4.99      (Computed with XLOGP3)
3.78      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 4
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): P33247  
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