Browse entries in the PDBbind-CN Database

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Related entries of code: 4je7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4je8RCSB PDB    PDBbind197aa, >4JE8_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1g2aRCSB PDB    PDBbindBB2
1q1yRCSB PDB    PDBbindBB2
1ws1RCSB PDB    PDBbindBB2
3g5kRCSB PDB    PDBbindBB2
3m6pRCSB PDB    PDBbindBB2
3m6qRCSB PDB    PDBbindBB2
3m6rRCSB PDB    PDBbindBB2
3pn4RCSB PDB    PDBbindBB2
4dr9RCSB PDB    PDBbindBB2
4q4eRCSB PDB    PDBbindBB2
5jf1RCSB PDB    PDBbindBB2
5mteRCSB PDB    PDBbindBB2

Entry Information
PDB ID4je7
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman-like mitochondrial peptide deformylase (G47C, L112E mutant)
Ligand NameBB2
EC.Number E.C.3.5.1.88
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=395nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Acta Crystallogr.,Sect.D Vol. 70: pp. 242-252
Ligand Properties
Formula C19H35N3O5
Molecular Weight 385.498
Exact Mass 385.258
No. of atoms 62
No. of bonds 62
Polar Surface Area 118.97
LOGP Value 1.55      (Computed with XLOGP3)
1.92      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 1
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): Q9FV53  
Entrez Gene IDNCBI Entrez Gene ID: 838109  
ASDInformation of known allosteric effects of PDB entries

 
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