4XCS: Human peroxiredoxin-1 C83S mutant

Human peroxiredoxin-1 C83S mutant. Determined by X-ray diffraction at 2.1 Å resolution. Released 13 Jan 2016.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Homo sapiens
Chains: 6
Atoms: 8,912
Mol. weight: 147.89 kDa
Ligands: CPS
Released: 13 Jan 2016

Explore 4XCS in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4XCS contains 56 α-helices and 62 β-strands across 6 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: 10 helices, 9 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	38-44	7	2
α-helix	48-50	3
α-helix	53-61	9
α-helix	63-68	6
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	128-133	6	2
β-strand	138	1	1
β-strand	139-145	7	2
α-helix	150-152	3
α-helix	153-168	16

Chain B: 9 helices, 13 β-strands

Element	Residues	Length	Sheet
β-strand	11	1	3
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
β-strand	46	1	4
β-strand	50	1	4
α-helix	54-61	8
α-helix	63-68	6
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	5
β-strand	125-126	2	5
β-strand	128-133	6	2
β-strand	138	1	3
β-strand	139-145	7	2
α-helix	150-152	3
α-helix	153-169	17

Chains C and F: 10 helices, 9 β-strands

Element	Residues	Length	Sheet
β-strand	11	1	6
α-helix	12-14	3
β-strand	16-20	5	7
β-strand	26-30	5	7
α-helix	31-34	4
β-strand	38-44	7	7
α-helix	48-50	3
α-helix	53-61	9
α-helix	63-68	6
β-strand	71-77	7	7
α-helix	81-88	8
α-helix	92-94	3
β-strand	104-106	3	7
α-helix	111-115	5
β-strand	128-133	6	7
β-strand	138	1	6
β-strand	139-145	7	7
α-helix	150-152	3
α-helix	153-169	17

Chain D: 9 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	11	1	8
α-helix	12-14	3
β-strand	16-20	5	7
β-strand	26-30	5	7
α-helix	31-34	4
β-strand	38-43	6	7
α-helix	54-61	8
α-helix	63-68	6
β-strand	71-77	7	7
α-helix	81-88	8
α-helix	92-94	3
β-strand	104-106	3	7
α-helix	111-115	5
β-strand	119-120	2	9
β-strand	125-126	2	9
β-strand	128-133	6	7
β-strand	138	1	8
β-strand	139-145	7	7
α-helix	150-152	3
α-helix	153-169	17

Chain E: 8 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	11	1	10
α-helix	12-14	3
β-strand	16-20	5	11
β-strand	26-30	5	11
α-helix	31-34	4
β-strand	38-43	6	11
α-helix	53-61	9
α-helix	63-68	6
β-strand	71-77	7	11
α-helix	81-88	8
β-strand	104-106	3	11
α-helix	111-115	5
β-strand	119-120	2	12
β-strand	125-126	2	12
β-strand	128-133	6	11
β-strand	138	1	10
β-strand	139-145	7	11
α-helix	150-152	3
α-helix	153-169	17

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Peroxiredoxin-1	A, B, C, D, E, F	protein	219	Homo sapiens	Q06830 (AlphaFold model)

Sequence of entity 1 (A, B, C, D, E, F), FASTA

>4XCS_1 Peroxiredoxin-1 (chains A, B, C, D, E, F)
MGSSHHHHHHSSGLVPRGSHMSSGNAKIGHPAPNFKATAVMPDGQFKDISLSDYKGKYVV
FFFYPLDFTFVCPTEIIAFSDRAEEFKKLNCQVIGASVDSHFSHLAWVNTPKKQGGLGPM
NIPLVSDPKRTIAQDYGVLKADEGISFRGLFIIDDKGILRQITVNDLPVGRSVDETLRLV
QAFQFTDKHGEVCPAGWKPGSDTIKPDVQKSKEYFSKQK

Ligands and cofactors

ID	Name	Formula	Copies
CPS	3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate	C32 H58 N2 O7 S	3

Water and common crystallization additives (GOL) are not listed.

Primary citation

Crystal Structure of Dimeric Human Peroxiredoxin-1 C83S Mutant. Cho, K.J., Park, Y., Khan, T.G. et al. Bull Korean Chem Soc (2015) 36:1543-1545. DOI 10.1002/bkcs.10284

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
9VGT 1.79 Å, Crystal structure of Peroxiredoxin I in complex with compound 19-150
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

Browse structure collections

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