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Related entries of code: 3rm4
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%
3rm8RCSB PDB    PDBbind395aa, >3RM8_1|Chains... at 100%
3rm9RCSB PDB    PDBbind395aa, >3RM9_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 ID3rm4
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAcidic mammalian chitinase
Ligand Name3RM
EC.Number E.C.3.2.1.14
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=1.69uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Med.Chem. Vol. 53: pp. 6122-6128
Ligand Properties
Formula C14H20BrN6O
Molecular Weight 368.252
Exact Mass 367.088
No. of atoms 42
No. of bonds 44
Polar Surface Area 84.5
LOGP Value 2.26      (Computed with XLOGP3)
2.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
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): Q9BZP6  
Entrez Gene IDNCBI Entrez Gene ID: 27159  
ASDInformation of known allosteric effects of PDB entries
 
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