MolNFT v1 · #46753 · protein

Crystal structure of mitochondrial thioredoxin 3 from saccharomyces cerevisiae (reduced form)

2OE1 · Thioredoxin-3: “Crystal structure of mitochondrial thioredoxin 3 from saccharomyces cerevisiae (reduced form)”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.47). MolNFT v1 #46753 on GenesisL1: 3D structure…

PDB: 2OE1
Type: protein
Length: 212 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thioredoxin-3
UniProt: P25372
Ligands: SO4
Pockets: 2 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Thioredoxin-3	protein	106	40% helix, 25% strand	P25372

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	200	0.47	0.74	27	empty
2	58	0.28	0.74	12	SO4

Interfaces

1 interface between chains.

A–B · 368 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

2OE1 · Crystal Structure of Mitochondrial Thioredoxin 3 from Saccharomyces cerevisiae (reduced… · the same entry in another collection · chain A against A, TM-score 1.00
P25372 · AlphaFold monomer V2.0 prediction for thioredoxin-3, mitochondrial (P25372) · a predicted model of the same protein · chain A 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 P25372
Elsewhere: RCSB PDB 2OE1 · PDBe 2OE1 · UniProt P25372

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