Browse entries in the PDBbind-CN Database

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Related entries of code: 1me4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1me3RCSB PDB    PDBbind215aa, >1ME3_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... *
3kkuRCSB PDB    PDBbind215aa, >3KKU_1|Chain... at 99%
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 ID1me4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecruzipain
Ligand NameT10
EC.Number E.C.3.4.22.0
Resolution 1.2(Å)
Affinity (Kd/Ki/IC50)Ki=146nM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg.Med.Chem. v11 pp. 21-9, 2003
Ligand Properties
Formula C27H28N2O5
Molecular Weight 460.522
Exact Mass 460.200
No. of atoms 62
No. of bonds 64
Polar Surface Area 104.73
LOGP Value 3.86      (Computed with XLOGP3)
3.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 7
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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