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Crystal structure of staphylococcus aureus sira

Analyse Crystal structure of staphylococcus aureus sira in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3MWG
Type: protein
Length: 550 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Iron-regulated ABC transporter siderophore-binding protein sira
UniProt: Q7A869
Pockets: 3 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 49% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Iron-regulated ABC transporter siderophore-binding protein sira	protein	276	51% helix, 17% strand	Q7A869
B	Iron-regulated ABC transporter siderophore-binding protein sira	protein	274	47% helix, 15% strand	Q7A869

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	233	0.55	0.78	45	empty
2	253	0.55	0.77	39	empty
3	78	0.33	0.74	19	empty

Interfaces

1 interface between chains.

A–B · 602 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

3MWG · Crystal structure of Staphylococcus aureus SirA · 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 Q7A869
Elsewhere: RCSB PDB 3MWG · PDBe 3MWG · UniProt Q7A869

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