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CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA E205Q IN THE METAL-FREE, OPEN STATE

X-ray diffraction
1.65Å resolution
PDB entry 3zk8 coloured by chain, front view.
PDB entry 3zk8 coloured by chain, side view.
PDB entry 3zk8 coloured by chain, top view.
Source organism: Streptococcus pneumoniae
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Manganese ABC transporter substrate-binding lipoprotein PsaA
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Multimeric state: monomeric
Accessible surface area: 13266.32 Å2
Buried surface area: 280.9 Å2
Dissociation area: 140.45 Å2
Dissociation energy (ΔGdiss): -3.7 kcal/mol
Dissociation entropy (TΔSdiss): 1.77 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-141259
Monomeric assembly 1 of PDB entry 3zk8 coloured by chemically distinct molecules, front view.
Monomeric assembly 1 of PDB entry 3zk8 coloured by chemically distinct molecules, side view.
Monomeric assembly 1 of PDB entry 3zk8 coloured by chemically distinct molecules, top view.
    Assembly 1
Confidence : 95%
No. subunits : 1
Symmetry : None
More details
3DComplex & QSbio predictionx
No. subunits : 1
Symmetry : None
Evidence : This biological assembly agrees with the prediction of both PISA & EPPIC
Assembly 2
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Assembly Name: Manganese ABC transporter substrate-binding lipoprotein PsaA
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Multimeric state: monomeric
Accessible surface area: 13320.25 Å2
Buried surface area: 281.95 Å2
Dissociation area: 140.97 Å2
Dissociation energy (ΔGdiss): -3.82 kcal/mol
Dissociation entropy (TΔSdiss): 1.78 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-141259
Monomeric assembly 2 of PDB entry 3zk8 coloured by chemically distinct molecules, front view.
Monomeric assembly 2 of PDB entry 3zk8 coloured by chemically distinct molecules, side view.
Monomeric assembly 2 of PDB entry 3zk8 coloured by chemically distinct molecules, top view.
    Assembly 2
Confidence : 95%
No. subunits : 1
Symmetry : None
More details
3DComplex & QSbio predictionx
No. subunits : 1
Symmetry : None
Evidence : This biological assembly agrees with the prediction of both PISA & EPPIC

Macromolecules

Manganese ABC transporter substrate-binding lipoprotein PsaA
Chains: A, B
Length: 278 amino acids
Theoretical weight: 31.44 KDa
Source organism: Streptococcus pneumoniae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A4G2 (Residues: 32-309; Coverage: 96%)
Gene names: SP_1650, psaA
Pfam: Zinc-uptake complex component A periplasmic
InterPro:
CATH: Nitrogenase molybdenum iron protein domain
Manganese ABC transporter substrate-binding lipoprotein PsaA in PDB entry 3zk8, assembly 1, front view.
Manganese ABC transporter substrate-binding lipoprotein PsaA in PDB entry 3zk8, assembly 1, side view.
Manganese ABC transporter substrate-binding lipoprotein PsaA in PDB entry 3zk8, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P0A4G2  
127820406080100120140160180200220240260
 
100200
UniProt
P0A4G2
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Sequence conservation
Molecule details ›

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