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Related entries of code: 6p85
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6p8aRCSB PDB    PDBbind343aa, >6P8A_1|Chains... at 98%
6p89RCSB PDB    PDBbind343aa, >6P89_1|Chains... at 98%
6p88RCSB PDB    PDBbind343aa, >6P88_1|Chains... at 98%
6p87RCSB PDB    PDBbind343aa, >6P87_1|Chains... at 98%
6p86RCSB PDB    PDBbind343aa, >6P86_1|Chains... at 98%
6p83RCSB PDB    PDBbind343aa, >6P83_1|Chains... at 98%
6p84RCSB PDB    PDBbind343aa, >6P84_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6p85
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameE.coli LpxD
Ligand NameO4V
EC.Number E.C.2.3.1.191
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=10.3uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2020) ACS Infect Dis Vol. 6: pp. 1480-1489
Ligand Properties
Formula C17H18N4O3S
Molecular Weight 358.415
Exact Mass 358.110
No. of atoms 43
No. of bonds 45
Polar Surface Area 108.48
LOGP Value 3.38      (Computed with XLOGP3)
4.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
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): P21645  
Entrez Gene IDNCBI Entrez Gene ID: 61754853  944882  
ASDInformation of known allosteric effects of PDB entries
 
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