Browse entries in the PDBbind-CN Database

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Related entries of code: 3ljt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3b8zRCSB PDB    PDBbind217aa, >3B8Z_1|Chains... at 100%
3hy7RCSB PDB    PDBbind221aa, >3HY7_1|Chains... *
3hy9RCSB PDB    PDBbind221aa, >3HY9_1|Chains... at 100%
3hygRCSB PDB    PDBbind221aa, >3HYG_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3ljzRCSB PDB    PDBbindLA3

Entry Information
PDB ID3ljt
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameA disintegrin and metalloproteinase with thrombospondin motifs 5, ADAMTS-5
Ligand NameLA3
EC.Number E.C.3.4.24
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)IC50=129nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Protein Sci. Vol. 20: pp. 735-744
Ligand Properties
Formula C27H26N2O6
Molecular Weight 474.505
Exact Mass 474.179
No. of atoms 61
No. of bonds 65
Polar Surface Area 117.12
LOGP Value 2.61      (Computed with XLOGP3)
3.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
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): Q9UNA0  
Entrez Gene IDNCBI Entrez Gene ID: 11096  
ASDInformation of known allosteric effects of PDB entries

 
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