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: 3a5y
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
3e9hRCSB PDB    PDBbindKAA
Entry Information
PDB ID3a5y
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameGenX protein from Escherichia coli
Ligand NameKAA
EC.Number E.C.6.1.1.6
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=11nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference Nat.Struct.Mol.Biol. 17(9):1136-1144
Ligand Properties
Formula C16H28N8O7S
Molecular Weight 476.508
Exact Mass 476.180
No. of atoms 60
No. of bonds 62
Polar Surface Area 255.44
LOGP Value -3.59      (Computed with XLOGP3)
-2.52      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 15
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): P0A8N7  
Entrez Gene IDNCBI Entrez Gene ID: 61753809  948672  
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