Browse entries in the PDBbind-CN Database

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Related entries of code: 1tlo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1tl9RCSB PDB    PDBbind339aa, >1TL9_1|Chain... *
2nqgRCSB PDB    PDBbind339aa, >2NQG_1|Chain... at 100%
2nqiRCSB PDB    PDBbind339aa, >2NQI_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2preRCSB PDB    PDBbindE64
2uzjRCSB PDB    PDBbindE64
3bcnRCSB PDB    PDBbindE64
3c9eRCSB PDB    PDBbindE64
4d8eRCSB PDB    PDBbindE64

Entry Information
PDB ID1tlo
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecalpain 1, large [catalytic] subunit
Ligand NameE64
EC.Number E.C.3.4.22.52
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=100uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v343 pp. 1313-26, 2004
Ligand Properties
Formula C15H30N5O5
Molecular Weight 360.429
Exact Mass 360.225
No. of atoms 55
No. of bonds 54
Polar Surface Area 181.74
LOGP Value 2.20      (Computed with XLOGP3)
-1.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 10
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): P97571  
Entrez Gene IDNCBI Entrez Gene ID: 29153  
ASDInformation of known allosteric effects of PDB entries

 
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