MolNFT v1 · #123496 · protein

Structure of peroxiredoxin-1 from schistosoma japonicum

5JLY · Thioredoxin peroxidase-1: “Structure of peroxiredoxin-1 from schistosoma japonicum”. X-ray diffraction, 5 pockets (best druggability 0.73). MolNFT v1 #123496 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5JLY
Type: protein
Length: 500 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thioredoxin peroxidase-1
UniProt: Q75UG3
Pockets: 5 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Thioredoxin peroxidase-1	protein	167	31% helix, 28% strand	Q75UG3
C	Thioredoxin peroxidase-1	protein	166	31% helix, 28% strand	Q75UG3

Pockets

5 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	59	0.73	0.99	21	empty
2	103	0.68	0.91	26	empty
3	482	0.66	0.78	77	empty
4	89	0.40	0.77	17	empty
5	130	0.38	0.73	30	empty

Interfaces

2 interfaces between chains.

A–B · 1208 Å² buried · 16 hydrogen bonds · protein-protein
B–C · 560 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

5JLY · Structure of Peroxiredoxin-1 from Schistosoma japonicum · 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 Q75UG3
Elsewhere: RCSB PDB 5JLY · PDBe 5JLY · UniProt Q75UG3

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