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: 3sur
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3susRCSB PDB    PDBbind525aa, >3SUS_1|Chain... at 100%
3sutRCSB PDB    PDBbind525aa, >3SUT_1|Chain... at 100%
3suuRCSB PDB    PDBbind525aa, >3SUU_1|Chain... at 100%
3suvRCSB PDB    PDBbind525aa, >3SUV_1|Chain... at 100%
3suwRCSB PDB    PDBbind525aa, >3SUW_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1hp5RCSB PDB    PDBbindNGT
1np0RCSB PDB    PDBbindNGT
2epnRCSB PDB    PDBbindNGT
2w92RCSB PDB    PDBbindNGT
5a6aRCSB PDB    PDBbindNGT
Entry Information
PDB ID3sur
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBeta-hexosaminidase
Ligand NameNGT
EC.Number E.C.3.2.1.52
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=70uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Org.Biomol.Chem. Vol. 10: pp. 2607-2612
Ligand Properties
Formula C8H13NO4S
Molecular Weight 219.258
Exact Mass 219.057
No. of atoms 27
No. of bonds 28
Polar Surface Area 107.58
LOGP Value -1.14      (Computed with XLOGP3)
-1.61      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): D2KW09  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
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