MolNFT v1 · #36677 · protein

Crystal structure of thioredoxin mutant P34H

2FD3 · Thioredoxin 1: “Crystal structure of thioredoxin mutant P34H”. X-ray diffraction, 1 pocket (best druggability 0.62). MolNFT v1 #36677 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2FD3
Type: protein
Length: 216 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thioredoxin 1
UniProt: P0AA25
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Thioredoxin 1	protein	108	32% helix, 28% strand	P0AA25

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	233	0.62	0.81	30	empty

Interfaces

1 interface between chains.

A–B · 705 Å² buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

2FD3 · Crystal Structure of Thioredoxin Mutant P34H · the same entry in another collection · chain A against A, TM-score 1.00
P0AA25 · AlphaFold monomer V2.0 prediction for thioredoxin 1 (P0AA25) · 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 P0AA25
Elsewhere: RCSB PDB 2FD3 · PDBe 2FD3 · UniProt P0AA25

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