Browse entries in the PDBbind-CN Database

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Related entries of code: 3kku
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1me3RCSB PDB    PDBbind215aa, >1ME3_1|Chain... at 99%
1me4RCSB PDB    PDBbind215aa, >1ME4_1|Chain... at 99%
1u9qRCSB PDB    PDBbind215aa, >1U9Q_1|Chain... at 99%
2oz2RCSB PDB    PDBbind215aa, >2OZ2_1|Chains... at 99%
3hd3RCSB PDB    PDBbind215aa, >3HD3_1|Chains... at 100%
3i06RCSB PDB    PDBbind215aa, >3I06_1|Chain... at 99%
3iutRCSB PDB    PDBbind221aa, >3IUT_1|Chain... *
3lxsRCSB PDB    PDBbind215aa, >3LXS_1|Chains... at 99%
4klbRCSB PDB    PDBbind215aa, >4KLB_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3kku
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCruzain
Ligand NameB95
EC.Number E.C.3.4.22.51
Resolution 1.28(Å)
Affinity (Kd/Ki/IC50)Ki=2uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Med.Chem. Vol. 53: pp. 4891-4905
Ligand Properties
Formula C17H16BrN3O2
Molecular Weight 374.232
Exact Mass 373.043
No. of atoms 39
No. of bonds 41
Polar Surface Area 67.01
LOGP Value 3.49      (Computed with XLOGP3)
3.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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): P25779  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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