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Crystal structure of plasmodium vivax 2-cys peroxiredoxin, reduced

Analyse Crystal structure of plasmodium vivax 2-cys peroxiredoxin, reduced in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2I81
Type: protein
Length: 909 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2-cys peroxiredoxin
Pockets: 9 · best druggability 0.57

Structure

x-ray diffraction · 4 distinct chains · 29% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	2-cys peroxiredoxin	protein	193	30% helix, 25% strand	—
B	2-cys peroxiredoxin	protein	193	32% helix, 26% strand	—
D	2-cys peroxiredoxin	protein	163	29% helix, 29% strand	—
E	2-cys peroxiredoxin	protein	167	25% helix, 28% strand	—

Pockets

9 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	154	0.57	0.82	29	empty
2	186	0.55	0.79	30	empty
3	262	0.53	0.75	27	empty
4	77	0.50	0.84	16	empty
5	71	0.49	0.84	15	empty

Interfaces

6 interfaces between chains.

B–C · 2274 Å² buried · 30 hydrogen bonds · protein-protein
D–E · 1229 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 670 Å² buried · 2 hydrogen bonds · protein-protein
C–D · 652 Å² buried · 2 hydrogen bonds · protein-protein
A–C · 71 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

2I81 · Crystal Structure of Plasmodium vivax 2-Cys Peroxiredoxin, Reduced · 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
Elsewhere: RCSB PDB 2I81 · PDBe 2I81

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