MolNFT v1 · #25760 · protein

Structure of the oxidised form of human thioredoxin 2

1W4V · Thioredoxin, mitochondrial: “Structure of the oxidised form of human thioredoxin 2”. X-ray diffraction, 3 pockets (best druggability 0.65). MolNFT v1 #25760 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1W4V
Type: protein
Length: 654 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thioredoxin, mitochondrial
UniProt: Q99757
Pockets: 3 · best druggability 0.65

Structure

x-ray diffraction · 4 distinct chains · 41% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, E	Thioredoxin, mitochondrial	protein	110	39% helix, 25% strand	Q99757
C	Thioredoxin, mitochondrial	protein	107	42% helix, 26% strand	Q99757
D	Thioredoxin, mitochondrial	protein	109	39% helix, 26% strand	Q99757
F	Thioredoxin, mitochondrial	protein	108	42% helix, 26% strand	Q99757

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	598	0.65	0.76	65	empty
2	458	0.63	0.76	52	empty
3	54	0.27	0.74	11	empty

Interfaces

9 interfaces between chains.

C–D · 502 Å² buried · 2 hydrogen bonds · protein-protein
E–F · 492 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 486 Å² buried · 5 hydrogen bonds · protein-protein
A–F · 417 Å² buried · 7 hydrogen bonds · protein-protein
B–E · 413 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

1W4V · structure of the oxidised form of human thioredoxin 2 · the same entry in another collection · chain F against F, TM-score 1.00
Q99757 · AlphaFold monomer V2.0 prediction for thioredoxin, mitochondrial (Q99757) · a predicted model of the same protein · chain C 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 Q99757
Elsewhere: RCSB PDB 1W4V · PDBe 1W4V · UniProt Q99757

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