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Crystal structure of an engineered lipocalin (Anticalin H1GA) in complex with the Alzheimer amyloid peptide Abeta1-40

X-ray diffraction
2.3Å resolution
PDB entry 4mvl coloured by chain, front view.
PDB entry 4mvl coloured by chain, side view.
PDB entry 4mvl coloured by chain, 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: Amyloid-beta protein 40/42 complex and Neutrophil gelatinase-associated lipocalin
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Multimeric state: hetero dimer
Accessible surface area: 10330.48 Å2
Buried surface area: 1579.18 Å2
Dissociation area: 789.59 Å2
Dissociation energy (ΔGdiss): 5.4 kcal/mol
Dissociation entropy (TΔSdiss): 7.38 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-138365
Assembly 2
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Assembly Name: Amyloid-beta protein 40/42 complex and Neutrophil gelatinase-associated lipocalin
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Multimeric state: hetero dimer
Accessible surface area: 10254.3 Å2
Buried surface area: 1407.9 Å2
Dissociation area: 703.95 Å2
Dissociation energy (ΔGdiss): 6.15 kcal/mol
Dissociation entropy (TΔSdiss): 7.31 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-138365
Assembly 3
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Assembly Name: Amyloid-beta protein 40/42 complex and Neutrophil gelatinase-associated lipocalin
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Multimeric state: hetero dimer
Accessible surface area: 10364.25 Å2
Buried surface area: 1370.35 Å2
Dissociation area: 685.18 Å2
Dissociation energy (ΔGdiss): 6.96 kcal/mol
Dissociation entropy (TΔSdiss): 6.85 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-138365
Assembly 4
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Assembly Name: Amyloid-beta protein 40/42 complex and Neutrophil gelatinase-associated lipocalin
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Multimeric state: hetero dimer
Accessible surface area: 10349.19 Å2
Buried surface area: 1337.79 Å2
Dissociation area: 668.9 Å2
Dissociation energy (ΔGdiss): 6.84 kcal/mol
Dissociation entropy (TΔSdiss): 6.83 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-138365

Macromolecules

Neutrophil gelatinase-associated lipocalin
Chains: A, B, C, D
Length: 188 amino acids
Theoretical weight: 21.45 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P80188 (Residues: 21-198; Coverage: 100%)
Gene names: HNL, LCN2, NGAL
Pfam: Lipocalin / cytosolic fatty-acid binding protein family
InterPro:
CATH: Lipocalin
Neutrophil gelatinase-associated lipocalin in PDB entry 4mvl, assembly 1, front view.
Neutrophil gelatinase-associated lipocalin in PDB entry 4mvl, assembly 1, side view.
Neutrophil gelatinase-associated lipocalin in PDB entry 4mvl, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P80188  
118820406080100120140160180
 
50100150
UniProt
P80188
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Interaction interfaces
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Amyloid-beta protein 40
Chains: E, F, G, H
Length: 40 amino acids
Theoretical weight: 4.34 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P05067 (Residues: 672-711; Coverage: 5%)
Gene names: A4, AD1, APP
Pfam: Beta-amyloid peptide (beta-APP)
InterPro:
Amyloid-beta protein 40 in PDB entry 4mvl, assembly 1, front view.
Amyloid-beta protein 40 in PDB entry 4mvl, assembly 1, side view.
Amyloid-beta protein 40 in PDB entry 4mvl, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P05067  
140510152025303540
 
10203040DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
UniProt
P05067
PRO_0000000089
PRO_0000000094
PRO_0000000096
PRO_0000000095
PRO_0000384574
Chains
Domains
Flexibility predictions
Early folding residue predictions
Interaction interfaces
Molecule details ›

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