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: 2xk1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2xdmRCSB PDB    PDBbind466aa, >2XDM_1|Chains... at 100%
2xlnRCSB PDB    PDBbind489aa, >2XLN_1|Chains... *
2y4aRCSB PDB    PDBbind466aa, >2Y4A_1|Chains... at 100%
2y55RCSB PDB    PDBbind466aa, >2Y55_1|Chains... at 100%
2y59RCSB PDB    PDBbind466aa, >2Y59_1|Chains... at 100%
3zczRCSB PDB    PDBbind467aa, >3ZCZ_1|Chains... at 100%
3zvtRCSB PDB    PDBbind466aa, >3ZVT_1|Chains... at 100%
3zvwRCSB PDB    PDBbind466aa, >3ZVW_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2xk1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameD-ALANYL-D-ALANINE CARBOXYPEPTIDASE
Ligand NameEWB
EC.Number E.C.3.4.16.4
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)IC50=1.8uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Acs Med.Chem.Lett. Vol. 2: pp. 219-223
Ligand Properties
Formula C16H18BNO3
Molecular Weight 283.130
Exact Mass 283.138
No. of atoms 39
No. of bonds 40
Polar Surface Area 69.56
LOGP Value 2.49      (Computed with XLOGP3)
2.22      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 4
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): P39045  
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