9VGT: Peroxiredoxin I

Crystal structure of Peroxiredoxin I in complex with compound 19-150. Determined by X-ray diffraction at 1.79 Å resolution. Released 27 May 2026.

Method: X-ray diffraction
Resolution: 1.79 Å
Organism: Homo sapiens
Chains: 2
Atoms: 3,179
Mol. weight: 39.3 kDa
Ligands: A1ESV
Released: 27 May 2026

Explore 9VGT in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9VGT contains 18 α-helices and 22 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 9 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	11	1	1
α-helix	12-14	3
β-strand	16-20	5	2
β-strand	26-30	5	2
α-helix	31-34	4
β-strand	38-43	6	2
α-helix	52-61	10
α-helix	63-67	5
β-strand	71-77	7	2
α-helix	81-88	8
α-helix	92-94	3
β-strand	104-106	3	2
α-helix	111-115	5
β-strand	119-120	2	3
α-helix	121-123	3
β-strand	125-126	2	3
β-strand	128-133	6	2
β-strand	138	1	1
β-strand	139-145	7	2
α-helix	153-167	15

Chain B: 9 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	11	1	4
α-helix	12-14	3
β-strand	16-20	5	2
β-strand	26-30	5	2
α-helix	31-34	4
β-strand	38-43	6	2
α-helix	52-61	10
α-helix	63-67	5
β-strand	71-77	7	2
α-helix	81-89	9
α-helix	92-94	3
β-strand	104-106	3	2
α-helix	111-115	5
β-strand	119-120	2	5
α-helix	121-123	3
β-strand	125-126	2	5
β-strand	128-133	6	2
β-strand	138	1	4
β-strand	139-145	7	2
α-helix	153-168	16

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Peroxiredoxin-1	A, B	protein	175	Homo sapiens	Q06830 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>9VGT_1 Peroxiredoxin-1 (chains A, B)
MSSGNAKIGHPAPNFKATAVMPDGQFKDISLSDYKGKYVVFFFYPLDFTFVSPTEIIAFS
DRAEEFKKLNCQVIGASVDSHFSHLAWVNTPKKQGGLGPMNIPLVSDPKRTIAQDYGVLK
ADEGISFRGLFIIDDKGILRQITVNDLPVGRSVDETLRLVQAFQFTDKHGEVCPA

Ligands and cofactors

ID	Name	Formula	Copies
A1ESV	methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{S},6~{a}~{R},13~{S},14~{a}~{S},14~{b…	C33 H45 Br N2 O5	1

Primary citation

Synthesis and pharmacological evaluation of brominated derivatives of natural product celastrol for treatment of hepatic fibrosis. Li, M.Y., Li, Y., Wang, X. et al. Eur J Med Chem (2026) 309:118765-118765. DOI 10.1016/j.ejmech.2026.118765 · PubMed

Other PDB entries of the same protein (UniProt Q06830 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8Z54 1.45 Å, Crystal structure of human SIRT5 in complex with succinylated Prx1 fragment
9VQ5 1.5 Å, Crystal structure of Peroxiredoxin I in complex with SAC
8X71 1.58 Å, Crystal structure of Peroxiredoxin I in complex with compound 19-064
8X73 1.61 Å, Crystal structure of Peroxiredoxin I in complex with compound 19-069
9LNH 1.63 Å, Crystal structure of Peroxiredoxin I in complex with compound LC-PDin20
9B7A 1.71 Å, Crystal structure of peroxiredoxin 1 with RA
7WET 1.76 Å, Crystal structure of Peroxiredoxin I in complex with the inhibitor Cela
9VE2 1.8 Å, Crystal Structure of Human Peroxiredoxin I in Complex with Fluvastatin
8Z56 1.81 Å, Crystal structure of human Q140L-SIRT5 in complex with succinylated Prx1 fragment
7WEU 1.81 Å, Crystal structure of Peroxiredoxin I in complex with compound 19-048
9LG0 1.81 Å, Crystal Structure of Human Peroxiredoxin I in Complex with SAB
8Z55 1.83 Å, Crystal structure of human SIRT5 in complex with succPrx1 and ADP ribose

Browse structure collections

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