6y1t

The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a Trp51 to S-Trp51 modification

Method: X-RAY DIFFRACTION Dmax: 62.2 Å Quality: GOOD

1. Protein Identity and Related Structures Protein Identity & Related Structures

Cytochrome c peroxidase, mitochondrial

Saccharomyces cerevisiae S288C

UniProt P00431

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 71–361 Mutation:Trp51S-Trp Non-standard monomer:Yes (specific site not provided by mmCIF) HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EDO 1,2-ETHANEDIOL × 1 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;277.15 K;60 mM magnesium chloride hexahydrate, 60 mM calcuim chloride dihydrate, 0.1 M imidazole, 0.1 M MES pH 6.5, 20% v/v ethylene glycol and 10% w/v PEG 8000 Resolution 1.50 Å R-free 0.177

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

175 other PDB entries and 193 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CCPR_YEAST
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 31–321; UniProt 71–361

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 6y1t

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6y1t
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id6y1t
Deposition date deposition_date2020-02-13
Structure title titleThe crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a Trp51 to S-Trp51 modification
Keywords keywordsPeroxidase, heme, engineered, non-canonical amino acid, OXIDOREDUCTASE; OXIDOREDUCTASE
Experimental Method methodX-RAY DIFFRACTION

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier19.47
Radius of gyration Rg (electron density) rg_electron18.37
Forward intensity I(0) i020004500.00
Molecular weight molecular_weight34156.0 kDa
Excluded volume excluded_volume42655 ų
Envelope volume envelope_volume47020 ų
Hydration-shell volume shell_volume20834 ų
Envelope diameter envelope_diameter64.1
Shell Rg shell_rg25.31
Envelope Rg envelope_rg18.73
Shape Rg shape_rg18.34
Total Rg total_rg19.39
Total atoms total_atoms4676
Residues n_residues290
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax62.2
Rg (real space) rg_real19.33
Rg uncertainty (real space) rg_real_error0.29
I(0) (real space) i0_real2.0000e+07
I(0) uncertainty (real space) i0_real_error2.3640e+05
Rg (reciprocal space) rg_reciprocal19.35
I(0) (reciprocal space) i0_reciprocal20000000.0000
Solution quality estimate total_estimate0.8881
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary25.4
Skewness Skewness skewness0.151
Kurtosis Kurtosis kurtosis-0.371
Angular range angular_range— – 0.4100 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha6309000.0000
Real-space data points n_real_points72
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.853; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.985

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 1 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd6y1ta_
Class classa — All alpha proteins
Fold Fold folda.93 — Heme-dependent peroxidases
Superfamily Superfamily superfamilya.93.1 — Heme-dependent peroxidases
Family Family familya.93.1.1 — CCP-like

8. Citations (1)

9. Files and Curves (10)