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: 4ie5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4cxwRCSB PDB    PDBbind495aa, >4CXW_1|Chain... *
4cxxRCSB PDB    PDBbind495aa, >4CXX_1|Chain... at 100%
4cxyRCSB PDB    PDBbind495aa, >4CXY_1|Chain... at 100%
4idzRCSB PDB    PDBbind495aa, >4IDZ_1|Chain... at 100%
4ie0RCSB PDB    PDBbind495aa, >4IE0_1|Chain... at 100%
4ie4RCSB PDB    PDBbind495aa, >4IE4_1|Chain... at 100%
4ie6RCSB PDB    PDBbind495aa, >4IE6_1|Chain... at 100%
4ie7RCSB PDB    PDBbind495aa, >4IE7_1|Chain... at 100%
4zs2RCSB PDB    PDBbind478aa, >4ZS2_1|Chain... at 100%
4zs3RCSB PDB    PDBbind478aa, >4ZS3_1|Chain... at 100%
6akwRCSB PDB    PDBbind492aa, >6AKW_1|Chain... at 100%
5zmdRCSB PDB    PDBbind463aa, >5ZMD_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3t3yRCSB PDB    PDBbindMD6

Entry Information
PDB ID4ie5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAlpha-ketoglutarate-dependent dioxygenase FTO
Ligand NameMD6
EC.Number E.C.1.14.11
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)IC50=15uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 3680-3688
Ligand Properties
Formula C8H8N2O4
Molecular Weight 196.160
Exact Mass 196.048
No. of atoms 22
No. of bonds 22
Polar Surface Area 99.52
LOGP Value 1.14      (Computed with XLOGP3)
-0.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
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): Q9C0B1  
Entrez Gene IDNCBI Entrez Gene ID: 79068  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Copyright ©2007-2023    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