MolNFT v1 · #179888 · protein

Hyperoxidized human peroxiredoxin 2

7KJ0 · Peroxiredoxin-2: “Hyperoxidized human peroxiredoxin 2”. X-ray diffraction, 20 pockets (best druggability 0.73). MolNFT v1 #179888 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7KJ0
Type: protein
Length: 1,970 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peroxiredoxin-2
EC: 1.11.1.24
UniProt: P32119
Pockets: 20 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J	Peroxiredoxin-2 (EC 1.11.1.24)	protein	197	32% helix, 26% strand	P32119

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	60	0.73	0.98	20	empty
2	58	0.73	0.99	22	empty
3	59	0.73	0.98	22	empty
4	55	0.72	0.99	21	empty
5	53	0.71	0.98	21	empty

Interfaces

20 interfaces between chains.

G–H · 2149 Å² buried · 32 hydrogen bonds · protein-protein
I–J · 2128 Å² buried · 31 hydrogen bonds · protein-protein
E–F · 2106 Å² buried · 29 hydrogen bonds · protein-protein
C–D · 2096 Å² buried · 32 hydrogen bonds · protein-protein
A–B · 2092 Å² buried · 32 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (oxidation).

Compared structures

7KJ0 · hyperoxidized human peroxiredoxin 2 · the same entry in another collection · chain J against J, TM-score 1.00
P32119 · AlphaFold monomer V2.0 prediction for peroxiredoxin-2 (P32119) · 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 P32119
Elsewhere: RCSB PDB 7KJ0 · PDBe 7KJ0 · UniProt P32119

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