Browse entries in the PDBbind-CN Database

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Related entries of code: 4bnt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4bnuRCSB PDB    PDBbind269aa, >4BNU_1|Chains... at 100%
4bnvRCSB PDB    PDBbind269aa, >4BNV_1|Chains... at 100%
4bnxRCSB PDB    PDBbind269aa, >4BNX_1|Chains... at 100%
4bnyRCSB PDB    PDBbind269aa, >4BNY_1|Chains... at 100%
4bnzRCSB PDB    PDBbind269aa, >4BNZ_1|Chains... at 100%
4bo0RCSB PDB    PDBbind269aa, >4BO0_1|Chains... at 100%
4bo1RCSB PDB    PDBbind269aa, >4BO1_1|Chains... at 100%
4bo2RCSB PDB    PDBbind269aa, >4BO2_1|Chains... at 100%
4bo3RCSB PDB    PDBbind269aa, >4BO3_1|Chains... at 100%
4bo4RCSB PDB    PDBbind269aa, >4BO4_1|Chains... at 100%
4bo5RCSB PDB    PDBbind269aa, >4BO5_1|Chains... at 100%
4bo6RCSB PDB    PDBbind269aa, >4BO6_1|Chains... at 100%
4bo7RCSB PDB    PDBbind269aa, >4BO7_1|Chains... at 100%
4bo8RCSB PDB    PDBbind269aa, >4BO8_1|Chains... at 100%
4bo9RCSB PDB    PDBbind269aa, >4BO9_1|Chains... 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 ID4bnt
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
Ligand Name36E
EC.Number E.C.1.1.1.100
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=137.69uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Acs Chem.Biol. Vol. 8: pp. 2518-2527
Ligand Properties
Formula C8H5F3N2
Molecular Weight 186.134
Exact Mass 186.040
No. of atoms 18
No. of bonds 19
Polar Surface Area 28.68
LOGP Value 2.41      (Computed with XLOGP3)
2.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 2
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): O54438  
Entrez Gene IDNCBI Entrez Gene ID: 880433  
ASDInformation of known allosteric effects of PDB entries

 
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