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Structure of staphylococcus pseudintermedius metal-binding protein sita in complex with zinc

Analyse Structure of staphylococcus pseudintermedius metal-binding protein sita in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4OXQ
Type
protein
Length
553 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Manganese ABC transporter, periplasmic-binding protein sita
UniProt
F0P9H5
Ligands
ZN
Pockets
4 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AManganese ABC transporter, periplasmic-binding protein sitaprotein27844% helix, 16% strandF0P9H5
BManganese ABC transporter, periplasmic-binding protein sitaprotein27545% helix, 16% strandF0P9H5

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110380.780.8099empty
2970.380.7514empty
3760.370.7714empty
4600.320.7617empty

Interfaces

1 interface between chains.

  • A–B · 821 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 4OXQ · Structure of Staphylococcus pseudintermedius metal-binding protein SitA in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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