Browse entries in the PDBbind-CN Database

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Related entries of code: 3hwx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3hwwRCSB PDB    PDBbind556aa, >3HWW_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3exeRCSB PDB    PDBbindTPP
3exfRCSB PDB    PDBbindTPP
3exhRCSB PDB    PDBbindTPP
3iafRCSB PDB    PDBbindTPP

Entry Information
PDB ID3hwx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemenaquinone synthesis protein MenD from E. coli
Ligand NameTPP
EC.Number E.C.2.2.1.9
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Kd=13.9nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Biochem.Biophys.Res.Commun. Vol. 388: pp. 748-751
Ligand Properties
Formula C12H22N4O7P2S
Molecular Weight 428.338
Exact Mass 428.068
No. of atoms 48
No. of bonds 49
Polar Surface Area 227.13
LOGP Value -1.64      (Computed with XLOGP3)
1.36      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 11
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): P17109  
Entrez Gene IDNCBI Entrez Gene ID: 946720  
ASDInformation of known allosteric effects of PDB entries

 
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