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Crystal Structure of DsbG K113E mutant

Analyse Crystal Structure of DsbG K113E mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2H0H
Type: protein
Length: 459 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.8
Source: Escherichia coli
Molecule: Thiol:disulfide interchange protein dsbG
UniProt: P77202
Ligands: SO4
Pockets: 6 · best druggability 0.83

Structure

x-ray diffraction · resolution 1.8 · 2 distinct chains · 37% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thiol:disulfide interchange protein dsbG	protein	229	37% helix, 23% strand	P77202
B	Thiol:disulfide interchange protein dsbG	protein	230	38% helix, 23% strand	P77202

Ligands and binding sites

SO4 · Sulfate ion · ion · 5 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	245	0.83	0.95	33	empty
2	160	0.48	0.77	29	empty
3	134	0.47	0.78	25	empty
4	137	0.45	0.77	22	empty
5	89	0.40	0.77	23	empty

Interfaces

1 interface between chains.

A–B · 1732 Å² buried · 27 hydrogen bonds · protein-protein

Compared structures

2H0H · Crystal structure of dsbg K113E mutant · the same entry in another collection · chain A against A, TM-score 1.00
P77202 · AlphaFold monomer V2.0 prediction for THIOL:DISULFIDE interchange protein dsbg (P77202) · a predicted model of the same protein · chain B against A, TM-score 0.97

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 P77202
Elsewhere: RCSB PDB 2H0H · PDBe 2H0H · UniProt P77202

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