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Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)

X-ray diffraction
2.2Å resolution
PDB entry 1oxn coloured by chain, front view.
PDB entry 1oxn coloured by chain, side view.
PDB entry 1oxn coloured by chain, top view.
Source organism: Homo sapiens
Assemblies composition:
monomeric
homo dimer
hetero dimer
hetero hexamer
hetero tetramer
hetero trimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1
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Assembly Name: Baculoviral IAP repeat-containing protein 7 30kDa subunit
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Multimeric state: monomeric
Accessible surface area: 6271.59 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-188400
Assembly 10
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Assembly Name: Baculoviral IAP repeat-containing protein 7 30kDa subunit
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Multimeric state: homo dimer
Accessible surface area: 10397.95 Å2
Buried surface area: 2672.5 Å2
Dissociation area: 1,181.83 Å2
Dissociation energy (ΔGdiss): 2.82 kcal/mol
Dissociation entropy (TΔSdiss): 11.3 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-188402
Assembly 11
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Assembly Name: Baculoviral IAP repeat-containing protein 7 30kDa subunit
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Multimeric state: monomeric
Accessible surface area: 5833.35 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-188400
Assembly 12
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Assembly Name: Short peptide
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Multimeric state: monomeric
Accessible surface area: 620.27 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-219427
Assembly 2
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Assembly Name: Baculoviral IAP repeat-containing protein 7 30kDa subunit
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Multimeric state: monomeric
Accessible surface area: 6426.06 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-188400
Assembly 3
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Assembly Name: Baculoviral IAP repeat-containing protein 7 30kDa subunit
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Multimeric state: monomeric
Accessible surface area: 6469.83 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-188400
Assembly 4
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Assembly Name: Baculoviral IAP repeat-containing protein 7 30kDa subunit
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Multimeric state: monomeric
Accessible surface area: 6587.12 Å2
Buried surface area: 309.56 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-188400
Assembly 5
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Assembly Name: Baculoviral IAP repeat-containing protein 7 30kDa subunit and peptide
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Multimeric state: hetero dimer
Accessible surface area: 5718.0 Å2
Buried surface area: 637.81 Å2
Dissociation area: 318.9 Å2
Dissociation energy (ΔGdiss): 0.94 kcal/mol
Dissociation entropy (TΔSdiss): 4.6 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-162367
Assembly 6
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Assembly Name: Baculoviral IAP repeat-containing protein 7 30kDa subunit and peptide
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Multimeric state: hetero hexamer
Accessible surface area: 23766.07 Å2
Buried surface area: 8364.39 Å2
Dissociation area: 830.37 Å2
Dissociation energy (ΔGdiss): -1.34 kcal/mol
Dissociation entropy (TΔSdiss): 15.75 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-162370
Assembly 7
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Assembly Name: Baculoviral IAP repeat-containing protein 7 30kDa subunit and peptide
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Multimeric state: hetero tetramer
Accessible surface area: 15096.97 Å2
Buried surface area: 4333.24 Å2
Dissociation area: 830.37 Å2
Dissociation energy (ΔGdiss): -0.89 kcal/mol
Dissociation entropy (TΔSdiss): 15.29 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-162369
Assembly 8
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Assembly Name: Baculoviral IAP repeat-containing protein 7 30kDa subunit
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Multimeric state: homo dimer
Accessible surface area: 10659.65 Å2
Buried surface area: 2040.6 Å2
Dissociation area: 1,020.3 Å2
Dissociation energy (ΔGdiss): -0.05 kcal/mol
Dissociation entropy (TΔSdiss): 11.24 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-188402
Assembly 9 (preferred)
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Assembly Name: Baculoviral IAP repeat-containing protein 7 30kDa subunit and peptide
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Multimeric state: hetero trimer
Accessible surface area: 11286.14 Å2
Buried surface area: 1970.3 Å2
Dissociation area: 830.37 Å2
Dissociation energy (ΔGdiss): -0.74 kcal/mol
Dissociation entropy (TΔSdiss): 15.14 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-162368

Macromolecules

Baculoviral IAP repeat-containing protein 7 30kDa subunit
Chains: A, B, C, D, E
Length: 140 amino acids
Theoretical weight: 15.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q96CA5 (Residues: 63-179; Coverage: 39%)
Gene names: BIRC7, KIAP, LIVIN, MLIAP, RNF50, UNQ5800/PRO19607/PRO21344
Pfam: Inhibitor of Apoptosis domain
InterPro: BIR repeat
CATH: Inhibitor Of Apoptosis Protein (2mihbC-IAP-1); Chain A
SCOP: Inhibitor of apoptosis (IAP) repeat
Baculoviral IAP repeat-containing protein 7 30kDa subunit in PDB entry 1oxn, assembly 9, front view.
Baculoviral IAP repeat-containing protein 7 30kDa subunit in PDB entry 1oxn, assembly 9, side view.
Baculoviral IAP repeat-containing protein 7 30kDa subunit in PDB entry 1oxn, assembly 9, top view.
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AEAVPWKSE peptide
Chain: F
Length: 9 amino acids
Theoretical weight: 1.02 KDa
Source organism: Homo sapiens
Expression system: Not provided
AEAVPWKSE peptide in PDB entry 1oxn, assembly 9, front view.
AEAVPWKSE peptide in PDB entry 1oxn, assembly 9, side view.
AEAVPWKSE peptide in PDB entry 1oxn, assembly 9, top view.
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