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Related entries of code: 3p4q
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1kf6RCSB PDB    PDBbind119aa, >1KF6_4|Chains... *
1kfyRCSB PDB    PDBbind119aa, >1KFY_4|Chains... at 100%
3p4rRCSB PDB    PDBbind119aa, >3P4R_4|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4ctsRCSB PDB    PDBbindOAA

Entry Information
PDB ID3p4q
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEscherichia coli menaquinol:fumarate reductase (QFR)
Ligand NameOAA
EC.Number E.C.1.3.99.1
Resolution 3.35(Å)
Affinity (Kd/Ki/IC50)Ki=0.3uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Biol.Chem. Vol. 286: pp. 3047-3056
Ligand Properties
Formula C4H4O5
Molecular Weight 132.072
Exact Mass 132.006
No. of atoms 13
No. of bonds 12
Polar Surface Area 91.67
LOGP Value 1.13      (Computed with XLOGP3)
-0.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
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): P00363  P0A8Q0  P0A8Q3  P0AC47  
Entrez Gene IDNCBI Entrez Gene ID: 61753808  948667  61753806  948680  61734463  948668  61753807  948666  
ASDInformation of known allosteric effects of PDB entries

 
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