Browse entries in the PDBbind-CN Database

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Related entries of code: 3rx8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3rx5RCSB PDB    PDBbind537aa, >3RX5_1|Chain... *
3rx7RCSB PDB    PDBbind537aa, >3RX7_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2oykRCSB PDB    PDBbind9MR

Entry Information
PDB ID3rx8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCellulase
Ligand Name9MR
EC.Number E.C.3.2.1.4
Resolution 2.56(Å)
Affinity (Kd/Ki/IC50)Ki=610nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Org.Biomol.Chem. Vol. 9: pp. 5945-5947
Ligand Properties
Formula C12H24NO8
Molecular Weight 310.321
Exact Mass 310.150
No. of atoms 45
No. of bonds 46
Polar Surface Area 156.45
LOGP Value -3.69      (Computed with XLOGP3)
-3.71      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 9
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): Q9AJS0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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