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: 1f28
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ci7RCSB PDB    PDBbind297aa, >1CI7_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1f28
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethymidylate synthase
Ligand NameF89
EC.Number E.C.2.1.1.45
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=16nM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference Chem.Biol. v8 pp. 445-57, 2001
Ligand Properties
Formula C27H24N4O6
Molecular Weight 500.503
Exact Mass 500.170
No. of atoms 61
No. of bonds 65
Polar Surface Area 152.69
LOGP Value 4.26      (Computed with XLOGP3)
3.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
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): P13100  
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