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Structure of the Human Fatty Acid Synthase KS-MAT Didomain as a Framework for Inhibitor Design.

X-ray diffraction
2.15Å resolution
PDB entry 3hhd coloured by chain, front view.
PDB entry 3hhd coloured by chain, side view.
PDB entry 3hhd coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Fatty acid synthase
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Multimeric state: homo dimer
Accessible surface area: 58752.23 Å2
Buried surface area: 5513.3 Å2
Dissociation area: 2,694.21 Å2
Dissociation energy (ΔGdiss): 31.88 kcal/mol
Dissociation entropy (TΔSdiss): 16.32 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-155926
Homo dimeric assembly 1 of PDB entry 3hhd coloured by chemically distinct molecules, front view.
Homo dimeric assembly 1 of PDB entry 3hhd coloured by chemically distinct molecules, side view.
Homo dimeric assembly 1 of PDB entry 3hhd 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 : Interface geometry is similar to that of 4mz0_1 (30% id)
Assembly 2
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Assembly Name: Fatty acid synthase
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Multimeric state: homo dimer
Accessible surface area: 58867.07 Å2
Buried surface area: 5531.32 Å2
Dissociation area: 2,704 Å2
Dissociation energy (ΔGdiss): 30.87 kcal/mol
Dissociation entropy (TΔSdiss): 16.32 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-155926
Homo dimeric assembly 2 of PDB entry 3hhd coloured by chemically distinct molecules, front view.
Homo dimeric assembly 2 of PDB entry 3hhd coloured by chemically distinct molecules, side view.
Homo dimeric assembly 2 of PDB entry 3hhd 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 : Interface geometry is similar to that of 4mz0_1 (30% id)

Macromolecules

Fatty acid synthase
Chains: A, B, C, D
Length: 965 amino acids
Theoretical weight: 104.48 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P49327 (Residues: 2-963; Coverage: 38%)
Gene names: FAS, FASN
Pfam:
InterPro:
CATH:
Fatty acid synthase in PDB entry 3hhd, assembly 1, front view.
Fatty acid synthase in PDB entry 3hhd, assembly 1, side view.
Fatty acid synthase in PDB entry 3hhd, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P49327  
1965100200300400500600700800900
 
500
UniProt
P49327
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Interaction interfaces
Sequence conservation
Molecule details ›

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