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: 4ob0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ugpRCSB PDB    PDBbind226aa, >1UGP_2|Chain... at 100%
4ob1RCSB PDB    PDBbind233aa, >4OB1_2|Chain... at 100%
4ob2RCSB PDB    PDBbind233aa, >4OB2_2|Chain... 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 ID4ob0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCobalt-containing nitrile hydratase(subunit alpha and beta)
Ligand NamePBC
EC.Number E.C.4.2.1.84
Resolution 1.2(Å)
Affinity (Kd/Ki/IC50)Ki=5.0uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Am.Chem.Soc. Vol. 136: pp. 1186-1189
Ligand Properties
Formula C6H9BO2
Molecular Weight 123.945
Exact Mass 124.070
No. of atoms 18
No. of bonds 18
Polar Surface Area 18.46
LOGP Value 0.83      (Computed with XLOGP3)
-1.17      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
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): Q7SID2  Q7SID3  
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