Research workbench

Pilus-presented adhesin, SPY0125 (cpa), CYS426ALA mutant

Analyse Pilus-presented adhesin, SPY0125 (cpa), CYS426ALA mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4BUG
Type: protein
Length: 845 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ancillary protein 1
UniProt: Q8GRA2
Pockets: 10 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ancillary protein 1	protein	424	13% helix, 39% strand	Q8GRA2
B	Ancillary protein 1	protein	421	13% helix, 39% strand	Q8GRA2

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	551	0.72	0.81	55	empty
2	202	0.60	0.81	25	empty
3	169	0.53	0.79	25	empty
4	127	0.50	0.80	17	empty
5	174	0.47	0.76	23	empty

Interfaces

1 interface between chains.

A–B · 837 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 isopeptide (isopeptide).

Compared structures

4BUG · Pilus-presented adhesin, Spy0125 (Cpa), Cys426Ala mutant · 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 Q8GRA2
Elsewhere: RCSB PDB 4BUG · PDBe 4BUG · UniProt Q8GRA2

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