Browse entries in the PDBbind-CN Database

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Related entries of code: 3rm9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ybtRCSB PDB    PDBbind381aa, >2YBT_1|Chains... at 98%
2ybuRCSB PDB    PDBbind381aa, >2YBU_1|Chains... at 98%
3rm4RCSB PDB    PDBbind395aa, >3RM4_1|Chains... *
3rm8RCSB PDB    PDBbind395aa, >3RM8_1|Chains... at 100%
3rmeRCSB PDB    PDBbind395aa, >3RME_1|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 ID3rm9
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAcidic mammalian chitinase
Ligand Name613
EC.Number E.C.3.2.1.14
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=17uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Med.Chem. Vol. 53: pp. 6122-6128
Ligand Properties
Formula C11H16ClN4
Molecular Weight 239.725
Exact Mass 239.106
No. of atoms 32
No. of bonds 33
Polar Surface Area 58.29
LOGP Value 2.85      (Computed with XLOGP3)
1.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
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): Q9BZP6  
Entrez Gene IDNCBI Entrez Gene ID: 27159  
ASDInformation of known allosteric effects of PDB entries
 
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