MolNFT v1 · #56261 · protein

Crystal structure analysis of rat HBP23/PEROXIREDOXIN I, CYS52SER mutant

2Z9S · Peroxiredoxin-1: “Crystal structure analysis of rat HBP23/PEROXIREDOXIN I, CYS52SER mutant”. X-ray diffraction, 20 pockets (best druggability 0.72). MolNFT v1 #56261 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2Z9S
Type: protein
Length: 1,970 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peroxiredoxin-1
EC: 1.11.1.15
UniProt: Q63716
Pockets: 20 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J	Peroxiredoxin-1 (EC 1.11.1.15)	protein	197	32% helix, 24% strand	Q63716

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	61	0.72	0.98	21	empty
2	53	0.72	0.99	20	empty
3	240	0.65	0.83	34	empty
4	262	0.64	0.81	36	empty
5	471	0.64	0.76	69	empty

Interfaces

20 interfaces between chains.

G–H · 2099 Å² buried · 31 hydrogen bonds · protein-protein
A–B · 2094 Å² buried · 24 hydrogen bonds · protein-protein
C–D · 2077 Å² buried · 29 hydrogen bonds · protein-protein
E–F · 2067 Å² buried · 28 hydrogen bonds · protein-protein
I–J · 2015 Å² buried · 28 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

2Z9S · Crystal Structure Analysis of rat HBP23/Peroxiredoxin I, Cys52Ser mutant · the same entry in another collection · chain J against J, TM-score 1.00
Q63716 · AlphaFold monomer V2.0 prediction for peroxiredoxin-1 (Q63716) · 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 Q63716
Elsewhere: RCSB PDB 2Z9S · PDBe 2Z9S · UniProt Q63716

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.