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: 3uxk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mdlRCSB PDB    PDBbind359aa, >1MDL_1|Chain... at 99%
1mnsRCSB PDB    PDBbind357aa, >1MNS_1|Chain... at 100%
3uxlRCSB PDB    PDBbind383aa, >3UXL_1|Chains... at 100%
4fp1RCSB PDB    PDBbind383aa, >4FP1_1|Chains... at 100%
4hncRCSB PDB    PDBbind383aa, >4HNC_1|Chains... at 99%
4m6uRCSB PDB    PDBbind383aa, >4M6U_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6csrRCSB PDB    PDBbindBHO
Entry Information
PDB ID3uxk
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMandelate racemase
Ligand NameBHO
EC.Number E.C.5.1.2.2
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=11.7uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochemistry Vol. 51: pp. 1160-1170
Ligand Properties
Formula C7H7NO2
Molecular Weight 137.136
Exact Mass 137.048
No. of atoms 17
No. of bonds 17
Polar Surface Area 49.33
LOGP Value 0.71      (Computed with XLOGP3)
1.20      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
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): P11444  
Entrez Gene IDNCBI Entrez Gene ID: 45526288  
ASDInformation of known allosteric effects of PDB entries
 
This site has been visited times since Nov 2007.


Copyright ©2007-2025    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