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CU/ZN superoxide dismutase from neisseria meningitidis K91Q, K94Q double mutant

X-ray diffraction
1.8Å resolution
PDB entry 2aqt coloured by chain, front view.
PDB entry 2aqt coloured by chain, side view.
PDB entry 2aqt coloured by chain, top view.
Source organism: Neisseria meningitidis
Assemblies composition:
homo dimer (preferred)
homo hexamer
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Superoxide dismutase [Cu-Zn]
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Multimeric state: homo dimer
Accessible surface area: 13645.57 Å2
Buried surface area: 2241.85 Å2
Dissociation area: 93.11 Å2
Dissociation energy (ΔGdiss): 12.46 kcal/mol
Dissociation entropy (TΔSdiss): -0.23 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-157589
Homo dimeric assembly 1 of PDB entry 2aqt coloured by chemically distinct molecules, front view.
Homo dimeric assembly 1 of PDB entry 2aqt coloured by chemically distinct molecules, side view.
Homo dimeric assembly 1 of PDB entry 2aqt coloured by chemically distinct molecules, top view.
    Assembly 1
Confidence : 98%
No. subunits : 2
Symmetry : C2
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3DComplex & QSbio predictionx
No. subunits : 2
Symmetry : C2
Evidence : Interface geometry is similar to that of 1ib5_1 (54% id)
Assembly 2
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Assembly Name: Superoxide dismutase [Cu-Zn]
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Multimeric state: homo dimer
Accessible surface area: 13698.53 Å2
Buried surface area: 2023.63 Å2
Dissociation area: 1,011.82 Å2
Dissociation energy (ΔGdiss): 18.41 kcal/mol
Dissociation entropy (TΔSdiss): 11.67 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-157589
Homo dimeric assembly 2 of PDB entry 2aqt coloured by chemically distinct molecules, front view.
Homo dimeric assembly 2 of PDB entry 2aqt coloured by chemically distinct molecules, side view.
Homo dimeric assembly 2 of PDB entry 2aqt 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 1ib5_1 (54% id)
Assembly 3
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Assembly Name: Superoxide dismutase [Cu-Zn]
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Multimeric state: homo hexamer
Accessible surface area: 35703.75 Å2
Buried surface area: 11792.98 Å2
Dissociation area: 2,905.81 Å2
Dissociation energy (ΔGdiss): 32.6 kcal/mol
Dissociation entropy (TΔSdiss): 26.21 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-157591
Homo hexameric assembly 3 of PDB entry 2aqt coloured by chemically distinct molecules, front view.
Homo hexameric assembly 3 of PDB entry 2aqt coloured by chemically distinct molecules, side view.
Homo hexameric assembly 3 of PDB entry 2aqt coloured by chemically distinct molecules, top view.
    Assembly 3
Confidence : 0%
No. subunits : 6
Symmetry : C2
More details
3DComplex & QSbio predictionx
No. subunits : 2
Symmetry : C2
Evidence : Sequence is/are identical to 2aqt_2 (which is supposedly correct) but the structure is different, and the stoichiometry appears inconsistent with the composition and/or symmetry

Macromolecules

Superoxide dismutase [Cu-Zn]
Chains: A, B, C
Length: 164 amino acids
Theoretical weight: 17.39 KDa
Source organism: Neisseria meningitidis
Expression system: Escherichia coli
UniProt:
  • Canonical: P57005 (Residues: 23-186; Coverage: 100%)
Gene names: NMA1617, sodC
Pfam: Copper/zinc superoxide dismutase (SODC)
InterPro:
CATH: Superoxide dismutase, copper/zinc binding domain
Superoxide dismutase [Cu-Zn] in PDB entry 2aqt, assembly 1, front view.
Superoxide dismutase [Cu-Zn] in PDB entry 2aqt, assembly 1, side view.
Superoxide dismutase [Cu-Zn] in PDB entry 2aqt, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P57005  
116420406080100120140160
 
50100150
UniProt
P57005
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Interaction interfaces
Sequence conservation
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