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Putative thioredoxin protein from salmonella typhimurium

Analyse Putative thioredoxin protein from salmonella typhimurium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3QDN
Type: protein
Length: 565 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative thioredoxin protein
UniProt: Q8ZR92
Ligands: CA
Pockets: 4 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 61% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative thioredoxin protein	protein	285	59% helix, 10% strand	Q8ZR92
B	Putative thioredoxin protein	protein	280	63% helix, 9% strand	Q8ZR92

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A

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

Pockets

4 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	721	0.74	0.80	71	empty
2	225	0.52	0.76	20	empty
3	235	0.51	0.75	28	empty
4	177	0.45	0.75	22	empty

Interfaces

1 interface between chains.

A–B · 832 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 modified (engineered).

Compared structures

3QDN · Putative thioredoxin protein from Salmonella typhimurium · 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 Q8ZR92
Elsewhere: RCSB PDB 3QDN · PDBe 3QDN · UniProt Q8ZR92

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