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Related entries of code: 4d4d
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5m77RCSB PDB    PDBbind589aa, >5M77_1|Chains... *
5n0fRCSB PDB    PDBbind362aa, >5N0F_1|Chains... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4d4d
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namecatalytic domain, BcGH76, of Bacillus circulans Aman6
Ligand NameMAN-IFM
EC.Number E.C.3.2.1.101
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Kd=1.1uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Angew.Chem.Int.Ed.Engl. Vol. 54: pp. 5378
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): Q9Z4P9  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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