› › Structure analysis

Crystal Structure of Staphylococcus aureus HMG-COA Synthase with HMG-CoA and Acetoacetyl-COA and Acetylated Cysteine

X-ray diffraction
1.6Å resolution
PDB entry 1xpm coloured by chain, front view.
PDB entry 1xpm coloured by chain, side view.
PDB entry 1xpm coloured by chain, top view.
Source organism: Staphylococcus aureus
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

Quick links

Assemblies

Assembly 1 (preferred)
Download    3D Visualisation
Assembly Name: 3-hydroxy-3-methylglutaryl CoA synthase
hide full assembly name
Multimeric state: homo dimer
Accessible surface area: 24962.54 Å2
Buried surface area: 11360.97 Å2
Dissociation area: 2,511.62 Å2
Dissociation energy (ΔGdiss): 19.91 kcal/mol
Dissociation entropy (TΔSdiss): 14.45 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-102029
Homo dimeric assembly 1 of PDB entry 1xpm coloured by chemically distinct molecules, front view.
Homo dimeric assembly 1 of PDB entry 1xpm coloured by chemically distinct molecules, side view.
Homo dimeric assembly 1 of PDB entry 1xpm coloured by chemically distinct molecules, top view.
    Assembly 1
Confidence : 98%
No. subunits : 2
Symmetry : C2
More details
3DComplex & QSbio predictionx
No. subunits : 2
Symmetry : C2
Evidence : quaternary structure geometry is similar to that of 1bi5_1 (27% id)
Assembly 2
Download    3D Visualisation
Assembly Name: 3-hydroxy-3-methylglutaryl CoA synthase
hide full assembly name
Multimeric state: homo dimer
Accessible surface area: 24934.72 Å2
Buried surface area: 11346.32 Å2
Dissociation area: 2,490.95 Å2
Dissociation energy (ΔGdiss): 20.84 kcal/mol
Dissociation entropy (TΔSdiss): 14.44 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-102029
Homo dimeric assembly 2 of PDB entry 1xpm coloured by chemically distinct molecules, front view.
Homo dimeric assembly 2 of PDB entry 1xpm coloured by chemically distinct molecules, side view.
Homo dimeric assembly 2 of PDB entry 1xpm coloured by chemically distinct molecules, top view.
    Assembly 2
Confidence : 98%
No. subunits : 2
Symmetry : C2
More details
3DComplex & QSbio predictionx
No. subunits : 2
Symmetry : C2
Evidence : quaternary structure geometry is similar to that of 1bi5_1 (27% id)

Macromolecules

3-hydroxy-3-methylglutaryl CoA synthase
Chains: A, B, C, D
Length: 396 amino acids
Theoretical weight: 44.34 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0H3K1U2 (Residues: 1-388; Coverage: 100%)
Gene name: mvaS
Pfam:
InterPro:
CATH: Peroxisomal Thiolase; Chain A, domain 1
SCOP: Chalcone synthase-like
3-hydroxy-3-methylglutaryl CoA synthase in PDB entry 1xpm, assembly 1, front view.
3-hydroxy-3-methylglutaryl CoA synthase in PDB entry 1xpm, assembly 1, side view.
3-hydroxy-3-methylglutaryl CoA synthase in PDB entry 1xpm, assembly 1, top view.
PDBe-KB: UniProt Coverage View: A0A0H3K1U2  
139650100150200250300350
 
100200300
UniProt
A0A0H3K1U2
Chains
Domains
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Interaction interfaces
Sequence conservation
Molecule details ›

Search similar proteins

Quick links