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: 6e4w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4cfeRCSB PDB    PDBbind286aa, >4CFE_2|Chains... *
4cffRCSB PDB    PDBbind286aa, >4CFF_2|Chains... at 100%
4qfgRCSB PDB    PDBbind204aa, >4QFG_2|Chain... at 96%
4qfrRCSB PDB    PDBbind204aa, >4QFR_2|Chain... at 96%
4qfsRCSB PDB    PDBbind204aa, >4QFS_2|Chain... at 96%
5kq5RCSB PDB    PDBbind204aa, >5KQ5_2|Chain... at 96%
6e4tRCSB PDB    PDBbind204aa, >6E4T_2|Chain... at 97%
6e4uRCSB PDB    PDBbind204aa, >6E4U_2|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6e4w
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAmpk alpha1beta1gamma1
Ligand NameHUG
EC.Number E.C.
Resolution 3.35(Å)
Affinity (Kd/Ki/IC50)Kd=197.8nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 7273-7288
Ligand Properties
Formula C26H25F2NO9
Molecular Weight 533.475
Exact Mass 533.150
No. of atoms 63
No. of bonds 67
Polar Surface Area 158.54
LOGP Value 3.26      (Computed with XLOGP3)
2.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
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): P54645  P80385  P80386  
Entrez Gene IDNCBI Entrez Gene ID: 65248  25520  83803  
ASDInformation of known allosteric effects of PDB entries

This site has been visited times since Nov 2007.

Copyright ©2007-2021    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: