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Crystal structure of the major pilin from streptococcus pyogenes

Analyse Crystal structure of the major pilin from streptococcus pyogenes in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3B2M
Type: protein
Length: 859 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative uncharacterized protein SPY0128
UniProt: Q9A1S2
Pockets: 4 · best druggability 0.70

Structure

x-ray diffraction · 3 distinct chains · 2% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative uncharacterized protein SPY0128	protein	294	2% helix, 50% strand	Q9A1S2
B	Putative uncharacterized protein SPY0128	protein	281	2% helix, 53% strand	Q9A1S2
C	Putative uncharacterized protein SPY0128	protein	284	2% helix, 54% strand	Q9A1S2

Pockets

4 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	887	0.70	0.76	85	empty
2	340	0.54	0.74	41	empty
3	103	0.33	0.73	15	empty
4	58	0.32	0.76	11	empty

Interfaces

3 interfaces between chains.

A–B · 309 Å² buried · 1 hydrogen bond · protein-protein
A–C · 166 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 145 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 6 isopeptide (isopeptide).

Compared structures

3B2M · Crystal Structure of the Major Pilin from Streptococcus pyogenes · the same entry in another collection · chain A against A, TM-score 1.00
Q9A1S2 · AlphaFold monomer V2.0 prediction for pilin (Q9A1S2) · a predicted model of the same protein · chain C against A, TM-score 0.99

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 Q9A1S2
Elsewhere: RCSB PDB 3B2M · PDBe 3B2M · UniProt Q9A1S2

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