Browse entries in the PDBbind-CN Database

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Related entries of code: 4bs0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3nydRCSB PDB    PDBbind316aa, >3NYD_1|Chains... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4bs0
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameKEMP ELIMINASE HG3.17 (V6I, Q37K, K50Q, G82A, M84C, S89N, Q90F, T105I, A125T, T142N, T208M, S265T, F267M, W275A, R276F, T279S mutation)
Ligand Name6NT
EC.Number E.C.3.2.1.8
Resolution 1.09(Å)
Affinity (Kd/Ki/IC50)Ki=2uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Nature Vol. 503: pp. 418-423
Ligand Properties
Formula C6H4N4O2
Molecular Weight 164.122
Exact Mass 164.033
No. of atoms 16
No. of bonds 17
Polar Surface Area 87.39
LOGP Value 0.93      (Computed with XLOGP3)
1.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 6
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): P23360  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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