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Crystal structure of stoa from bacillus subtilis

Analyse Crystal structure of stoa from bacillus subtilis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3ERW
Type: protein
Length: 930 residues
Chains: 7
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sporulation thiol-disulfide oxidoreductase a
UniProt: O31687
Pockets: 9 · best druggability 0.55

Structure

x-ray diffraction · 4 distinct chains · 32% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, D, E	Sporulation thiol-disulfide oxidoreductase a	protein	134	31% helix, 29% strand	O31687
C	Sporulation thiol-disulfide oxidoreductase a	protein	130	32% helix, 28% strand	O31687
F	Sporulation thiol-disulfide oxidoreductase a	protein	131	32% helix, 29% strand	O31687
G	Sporulation thiol-disulfide oxidoreductase a	protein	133	32% helix, 27% strand	O31687

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	301	0.55	0.76	46	empty
2	236	0.53	0.76	39	empty
3	254	0.52	0.75	40	empty
4	115	0.47	0.79	20	empty
5	113	0.43	0.77	23	empty

Interfaces

6 interfaces between chains.

A–B · 585 Å² buried · 4 hydrogen bonds · protein-protein
D–E · 574 Å² buried · 3 hydrogen bonds · protein-protein
E–F · 572 Å² buried · 3 hydrogen bonds · protein-protein
A–C · 537 Å² buried · 5 hydrogen bonds · protein-protein
A–E · 397 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 21 modified, 7 disulfide (engineered, disulfide).

Compared structures

3ERW · Crystal Structure of StoA from Bacillus subtilis · the same entry in another collection · chain G against G, TM-score 1.00
O31687 · AlphaFold monomer V2.0 prediction for sporulation thiol-disulfide oxidoreductase a… · a predicted model of the same protein · chain C against A, TM-score 0.98

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 O31687
Elsewhere: RCSB PDB 3ERW · PDBe 3ERW · UniProt O31687

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