MolNFT v1 · #102512 · protein

Crystal structure of S-nitrosated human thioredoxin mutant

4OO5: “Crystal structure of S-nitrosated human thioredoxin mutant”. X-ray diffraction, 1 pocket (best druggability 0.35). MolNFT v1 #102512 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4OO5
Type: protein
Length: 105 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thioredoxin
UniProt: P10599
Pockets: 1 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thioredoxin	protein	105	41% helix, 28% strand	P10599

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	59	0.35	0.78	14	empty

Modifications

Observed in the structure: 1 disulfide, 1 modified (disulfide, nonstandard).

Compared structures

4OO5 · Crystal Structure of S-nitrosated Human Thioredoxin Mutant · the same entry in another collection · chain A against A, TM-score 1.00
P10599 · AlphaFold monomer V2.0 prediction for thioredoxin (P10599) · a predicted model of the same protein · chain A 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 P10599
Elsewhere: RCSB PDB 4OO5 · PDBe 4OO5 · UniProt P10599

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