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Related entries of code: 3krd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5thoRCSB PDB    PDBbind240aa, >5THO_2|Chains... at 100%
5trgRCSB PDB    PDBbind240aa, >5TRG_2|Chains... at 100%
5trrRCSB PDB    PDBbind240aa, >5TRR_2|Chains... at 100%
5trsRCSB PDB    PDBbind240aa, >5TRS_2|Chains... at 100%
5tryRCSB PDB    PDBbind240aa, >5TRY_2|Chains... at 100%
5ts0RCSB PDB    PDBbind240aa, >5TS0_2|Chains... at 100%
6odeRCSB PDB    PDBbind234aa, >6ODE_2|Chains... at 100%
6oczRCSB PDB    PDBbind234aa, >6OCZ_2|Chains... at 100%
6ocwRCSB PDB    PDBbind234aa, >6OCW_2|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 ID3krd
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMycobacterium Tuberculosis Proteasome
Ligand NameFEB
EC.Number E.C.3.4.25.1
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Ki=6.8nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Arch.Biochem.Biophys. Vol. 501: pp. 214-220
Ligand Properties
Formula C20H37N5O7
Molecular Weight 459.537
Exact Mass 459.269
No. of atoms 69
No. of bonds 68
Polar Surface Area 213.94
LOGP Value -2.37      (Computed with XLOGP3)
0.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 12
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): P9WHT9  P9WHU1  
Entrez Gene IDNCBI Entrez Gene ID: 887508  887538  
ASDInformation of known allosteric effects of PDB entries

 
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