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: 4r0a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4r07RCSB PDB    PDBbind811aa, >4R07_1|Chains... *
5wyxRCSB PDB    PDBbind811aa, >5WYX_1|Chains... at 100%
5wyzRCSB PDB    PDBbind811aa, >5WYZ_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4jx9RCSB PDB    PDBbindURI
4pd6RCSB PDB    PDBbindURI
5l26RCSB PDB    PDBbindURI
Entry Information
PDB ID4r0a
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameToll-like receptor 8
Ligand NameURI
EC.Number E.C.-.-.-.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=55uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Nat.Struct.Mol.Biol. Vol. 22: pp. 109-115
Ligand Properties
Formula C9H12N2O6
Molecular Weight 244.201
Exact Mass 244.070
No. of atoms 29
No. of bonds 30
Polar Surface Area 124.78
LOGP Value -2.30      (Computed with XLOGP3)
-2.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 2
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): Q9NR97  
Entrez Gene IDNCBI Entrez Gene ID: 51311  
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