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: 5j9f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1njsRCSB PDB    PDBbind209aa, >1NJS_1|Chains... at 100%
4ew2RCSB PDB    PDBbind209aa, >4EW2_1|Chain... at 100%
4ew3RCSB PDB    PDBbind209aa, >4EW3_1|Chain... at 100%
4zytRCSB PDB    PDBbind210aa, >4ZYT_1|Chain... *
4zyuRCSB PDB    PDBbind210aa, >4ZYU_1|Chain... at 100%
4zyvRCSB PDB    PDBbind210aa, >4ZYV_1|Chain... at 100%
4zywRCSB PDB    PDBbind210aa, >4ZYW_1|Chain... at 100%
4zyxRCSB PDB    PDBbind210aa, >4ZYX_1|Chain... at 100%
4zyyRCSB PDB    PDBbind210aa, >4ZYY_1|Chain... at 100%
4zyzRCSB PDB    PDBbind210aa, >4ZYZ_1|Chain... at 100%
4zz0RCSB PDB    PDBbind210aa, >4ZZ0_1|Chain... at 100%
4zz1RCSB PDB    PDBbind210aa, >4ZZ1_1|Chain... at 100%
4zz2RCSB PDB    PDBbind210aa, >4ZZ2_1|Chain... at 100%
4zz3RCSB PDB    PDBbind210aa, >4ZZ3_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5izqRCSB PDB    PDBbind83A
Entry Information
PDB ID5j9f
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman GAR transformylase, GARFTase
Ligand Name83A
EC.Number E.C.2.1.2.2
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=59nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 7856-7876
Ligand Properties
Formula C20H23N6O6
Molecular Weight 443.433
Exact Mass 443.168
No. of atoms 55
No. of bonds 57
Polar Surface Area 204.54
LOGP Value 3.59      (Computed with XLOGP3)
1.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 12
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): P22102  
Entrez Gene IDNCBI Entrez Gene ID: 2618  
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