Browse entries in the PDBbind-CN Database

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Related entries of code: 4ob2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ugpRCSB PDB    PDBbind226aa, >1UGP_2|Chain... at 100%
4ob0RCSB PDB    PDBbind233aa, >4OB0_2|Chain... *
4ob1RCSB PDB    PDBbind233aa, >4OB1_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1cp6RCSB PDB    PDBbindBUB
4ob1RCSB PDB    PDBbindBUB
4wktRCSB PDB    PDBbindBUB
Entry Information
PDB ID4ob2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCobalt-containing nitrile hydratase (subunit alpha and beta)
Ligand NameBUB
EC.Number E.C.4.2.1.84
Resolution 1.52(Å)
Affinity (Kd/Ki/IC50)Ki=0.5uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Am.Chem.Soc. Vol. 136: pp. 1186-1189
Ligand Properties
Formula C4H13BO2
Molecular Weight 103.956
Exact Mass 104.101
No. of atoms 20
No. of bonds 19
Polar Surface Area 18.46
LOGP Value 0.96      (Computed with XLOGP3)
-0.28      (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: 2
No. of Rings: 0
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
 
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