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Related entries of code: 3rx7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3rx5RCSB PDB    PDBbind537aa, >3RX5_1|Chain... *
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 ID3rx7
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCellulase
Ligand NameG3I
EC.Number E.C.3.2.1.4
Resolution 2.02(Å)
Affinity (Kd/Ki/IC50)Ki=940nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Org.Biomol.Chem. Vol. 9: pp. 5945-5947
Ligand Properties
Formula C24H44NO18
Molecular Weight 634.602
Exact Mass 634.256
No. of atoms 87
No. of bonds 90
Polar Surface Area 314.75
LOGP Value -7.98      (Computed with XLOGP3)
-8.06      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 4
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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