Structure analysis

Structure of SARS coronavirus spike receptor-binding domain complexed with its receptor

X-ray diffraction
2.9Å resolution
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

Assemblies

Assembly 1
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Multimeric state: hetero dimer
Accessible surface area: 35090.19 Å2
Buried surface area: 3647.11 Å2
Dissociation area: 884.27 Å2
Dissociation energy (ΔGdiss): 1.83 kcal/mol
Dissociation entropy (TΔSdiss): 13.01 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-157802
Assembly 2 (preferred)
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Multimeric state: hetero dimer
Accessible surface area: 34183.3 Å2
Buried surface area: 3088.11 Å2
Dissociation area: 878.02 Å2
Dissociation energy (ΔGdiss): 0.45 kcal/mol
Dissociation entropy (TΔSdiss): 13 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-157802

Macromolecules

Chains: A, B
Length: 597 amino acids
Theoretical weight: 69.15 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9BYF1 (Residues: 19-615; Coverage: 76%)
Gene names: ACE2, UNQ868/PRO1885
Pfam: Angiotensin-converting enzyme
InterPro: Peptidase M2, peptidyl-dipeptidase A
SCOP: Neurolysin-like
PDBe-KB: UniProt Coverage View: Q9BYF1  
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Chains: E, F
Length: 180 amino acids
Theoretical weight: 20.52 KDa
Source organism: Severe acute respiratory syndrome-related coronavirus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P59594 (Residues: 323-502; Coverage: 15%)
Gene names: 2, S
Pfam: Betacoronavirus spike glycoprotein S1, receptor binding
InterPro:
CATH: Alpha-Beta Plaits
SCOP: SARS receptor-binding domain-like
PDBe-KB: UniProt Coverage View: P59594  
118020406080100120140160180
 
50100150
UniProt
P59594
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Interaction interfaces

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