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Crystal structure of wild-type human peroxiredoxin IV

Analyse Crystal structure of wild-type human peroxiredoxin IV in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3TJB
Type: protein
Length: 841 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peroxiredoxin-4
EC: 1.11.1.15
UniProt: Q13162
Pockets: 14 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Peroxiredoxin-4 (EC 1.11.1.15)	protein	170	31% helix, 28% strand	Q13162
B, C, E	Peroxiredoxin-4 (EC 1.11.1.15)	protein	167	29% helix, 28% strand	Q13162

Pockets

14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	54	0.71	0.98	22	empty
2	452	0.66	0.78	39	empty
3	414	0.64	0.78	38	empty
4	319	0.57	0.76	51	empty
5	207	0.55	0.79	30	empty

Interfaces

4 interfaces between chains.

C–D · 1103 Å² buried · 18 hydrogen bonds · protein-protein
A–B · 1091 Å² buried · 20 hydrogen bonds · protein-protein
B–C · 762 Å² buried · 0 hydrogen bonds · protein-protein
D–E · 754 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3TJB · Crystal structure of wild-type human peroxiredoxin IV · the same entry in another collection · chain B against B, TM-score 1.00
Q13162 · AlphaFold monomer V2.0 prediction for peroxiredoxin-4 (Q13162) · a predicted model of the same protein · chain B 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 Q13162
Elsewhere: RCSB PDB 3TJB · PDBe 3TJB · UniProt Q13162

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