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Related entries of code: 3rx5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3rx7RCSB PDB    PDBbind537aa, >3RX7_1|Chain... at 100%
3rx8RCSB PDB    PDBbind537aa, >3RX8_1|Chain... 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 ID3rx5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCellulase
Ligand NameG2I
EC.Number E.C.3.2.1.4
Resolution 1.99(Å)
Affinity (Kd/Ki/IC50)Ki=540nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Org.Biomol.Chem. Vol. 9: pp. 5945-5947
Ligand Properties
Formula C18H34NO13
Molecular Weight 472.461
Exact Mass 472.203
No. of atoms 66
No. of bonds 68
Polar Surface Area 235.6
LOGP Value -5.83      (Computed with XLOGP3)
-5.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 14
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): Q9AJS0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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