Browse entries in the PDBbind-CN Database

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Related entries of code: 3e3c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4kt5RCSB PDB    PDBbind127aa, >4KT5_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3e3c
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameGrlR (global regulator of LEE repressor)
Ligand NameHHG
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=2.4uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Biochem.J. Vol. 420, pp. 191-199
Ligand Properties
Formula C9H20O7P
Molecular Weight 271.225
Exact Mass 271.095
No. of atoms 37
No. of bonds 36
Polar Surface Area 130.04
LOGP Value -0.53      (Computed with XLOGP3)
0.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 0
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): Q7DB61  
Entrez Gene IDNCBI Entrez Gene ID: 915455  
ASDInformation of known allosteric effects of PDB entries

 
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