MolNFT v1 · #102827 · protein

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

4OXR · Manganese ABC transporter, periplasmic-binding protein sita: “Structure of staphylococcus pseudintermedius metal-binding protein sita in complex with manganese”. X-ray diffraction, 1 ligand (MN), 4 pockets (best druggability 0.78).…

PDB: 4OXR
Type: protein
Length: 556 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: MN
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Manganese ABC transporter, periplasmic-binding protein sita	protein	278	47% helix, 16% strand	F0P9H5

Ligands and binding sites

MN · Manganese (II) ion · metal · 2 copies · chains A, B

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	965	0.78	0.80	101	empty
2	51	0.42	0.83	12	empty
3	105	0.41	0.77	15	empty
4	87	0.36	0.76	16	empty

Interfaces

1 interface between chains.

A–B · 758 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

4OXR · 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

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt F0P9H5
Elsewhere: RCSB PDB 4OXR · PDBe 4OXR · UniProt F0P9H5

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