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SOLUTION STRUCTURE OF A SEMI-SYNTHETIC C5A RECEPTOR ANTAGONIST AT PH 5.2, 303K, NMR, 20 STRUCTURES

Solution NMR
PDB entry 1cfa coloured by chain, ensemble of 20 models, front view.
PDB entry 1cfa coloured by chain, ensemble of 20 models, side view.
PDB entry 1cfa coloured by chain, ensemble of 20 models, top view.
Source organism: Homo sapiens
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: C5a anaphylatoxin and peptide
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Multimeric state: hetero dimer
Accessible surface area: 5451.58 Å2
Buried surface area: 542.49 Å2
Dissociation area: 271.25 Å2
Dissociation energy (ΔGdiss): 0.79 kcal/mol
Dissociation entropy (TΔSdiss): 5.2 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133871

Macromolecules

C5a anaphylatoxin
Chain: A
Length: 71 amino acids
Theoretical weight: 7.95 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P01031 (Residues: 679-747; Coverage: 4%)
Gene names: C5, CPAMD4
Pfam: Anaphylotoxin-like domain
InterPro:
CATH: Anaphylotoxins (complement system)
SCOP: Anaphylotoxins (complement system)
C5a anaphylatoxin in PDB entry 1cfa, assembly 1, front view.
C5a anaphylatoxin in PDB entry 1cfa, assembly 1, side view.
C5a anaphylatoxin in PDB entry 1cfa, assembly 1, top view.
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SYNTHETIC N-TERMINAL TAIL
Chain: B
Length: 4 amino acids
Theoretical weight: 449 Da
Source organism: Homo sapiens
Expression system: Not provided
SYNTHETIC N-TERMINAL TAIL in PDB entry 1cfa, assembly 1, front view.
SYNTHETIC N-TERMINAL TAIL in PDB entry 1cfa, assembly 1, side view.
SYNTHETIC N-TERMINAL TAIL in PDB entry 1cfa, assembly 1, top view.
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