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Crystal Structure of the complex of Proteinase K with Alanine Boronic acid at 0.83A resolution

X-ray diffraction
0.83Å resolution
PDB entry 2pwa coloured by chain, front view.
PDB entry 2pwa coloured by chain, side view.
PDB entry 2pwa coloured by chain, top view.
Source organism: Parengyodontium album
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Proteinase K
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Multimeric state: monomeric
Accessible surface area: 10232.79 Å2
Buried surface area: 2258.43 Å2
Dissociation area: 84.24 Å2
Dissociation energy (ΔGdiss): -0.74 kcal/mol
Dissociation entropy (TΔSdiss): -0.1 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-139275
Monomeric assembly 1 of PDB entry 2pwa coloured by chemically distinct molecules, front view.
Monomeric assembly 1 of PDB entry 2pwa coloured by chemically distinct molecules, side view.
Monomeric assembly 1 of PDB entry 2pwa 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

Macromolecules

Proteinase K
Chain: A
Length: 279 amino acids
Theoretical weight: 28.96 KDa
Source organism: Parengyodontium album
UniProt:
  • Canonical: P06873 (Residues: 106-384; Coverage: 76%)
Gene name: PROK
Pfam: Subtilase family
InterPro:
CATH: Peptidase S8/S53 domain
SCOP: Subtilases
Proteinase K in PDB entry 2pwa, assembly 1, front view.
Proteinase K in PDB entry 2pwa, assembly 1, side view.
Proteinase K in PDB entry 2pwa, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P06873  
127920406080100120140160180200220240260
 
100200
UniProt
P06873
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Sequence conservation
Molecule details ›

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