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: 2w9h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3fl9RCSB PDB    PDBbindTOP
3n0hRCSB PDB    PDBbindTOP
3s3vRCSB PDB    PDBbindTOP
4km2RCSB PDB    PDBbindTOP

Entry Information
PDB ID2w9h
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameDihydrofolate reductase (DHFR)
Ligand NameTOP
EC.Number E.C.1.5.1.3
Resolution 1.48(Å)
Affinity (Kd/Ki/IC50)Kd=430nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Proteins
Ligand Properties
Formula C14H18N4O3
Molecular Weight 290.318
Exact Mass 290.138
No. of atoms 39
No. of bonds 40
Polar Surface Area 105.51
LOGP Value 1.34      (Computed with XLOGP3)
2.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): P0A017  
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 ©2007-2022    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