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Crystal structure of sortase a from staphylococcus aureus

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

PDB: 1T2P
Type: protein
Length: 428 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sortase
UniProt: Q9S446
Pockets: 8 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 9% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Sortase	protein	145	10% helix, 43% strand	Q9S446
B	Sortase	protein	138	7% helix, 42% strand	Q9S446

Pockets

8 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	319	0.67	0.82	43	empty
2	91	0.54	0.85	22	empty
3	172	0.48	0.76	34	empty
4	99	0.41	0.78	20	empty
5	50	0.31	0.77	14	empty

Interfaces

3 interfaces between chains.

B–C · 392 Å² buried · 6 hydrogen bonds · protein-protein
A–B · 391 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 366 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

1T2P · Crystal structure of Sortase A from Staphylococcus aureus · 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 Q9S446
Elsewhere: RCSB PDB 1T2P · PDBe 1T2P · UniProt Q9S446

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