4xva

Crystal structure of wild type cytochrome c peroxidase

Method: X-RAY DIFFRACTION Dmax: 147.3 Å Quality: REASONABLE

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

Cytochrome c peroxidase, mitochondrial

Saccharomyces cerevisiae (strain ATCC 204508 / 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 69–361 Fragment:unp residues 69-361 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BZI BENZIMIDAZOLE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;283 K;Compound soaked into crystal grown in equal volume of 500mM MES buffer and 25% MPD Resolution 2.66 Å R-free 0.276
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain C; UniProt 69–361 Fragment:unp residues 69-361 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BZI BENZIMIDAZOLE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;283 K;Compound soaked into crystal grown in equal volume of 500mM MES buffer and 25% MPD Resolution 2.66 Å R-free 0.276
3 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain E; UniProt 69–361 Fragment:unp residues 69-361 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BZI BENZIMIDAZOLE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;283 K;Compound soaked into crystal grown in equal volume of 500mM MES buffer and 25% MPD Resolution 2.66 Å R-free 0.276
4 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain G; UniProt 69–361 Fragment:unp residues 69-361 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;283 K;Compound soaked into crystal grown in equal volume of 500mM MES buffer and 25% MPD Resolution 2.66 Å R-free 0.276

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 190 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 1–293; UniProt 69–361 Author chain C; PDBConstruct 1–293; UniProt 69–361 Author chain E; PDBConstruct 1–293; UniProt 69–361 Author chain G; PDBConstruct 1–293; UniProt 69–361

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 4xva

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4xva
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4xva
Deposition date deposition_date2015-01-26
Structure title titleCrystal structure of wild type cytochrome c peroxidase
Keywords keywordsModel system, flexibility, thermodynamics, cryptic site, transient protein sites, ligand binding, OXIDOREDUCTASE; OXIDOREDUCTASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier45.00
Radius of gyration Rg (electron density) rg_electron45.87
Forward intensity I(0) i0275767000.00
Molecular weight molecular_weight136280.0 kDa
Excluded volume excluded_volume170110 ų
Envelope volume envelope_volume231030 ų
Hydration-shell volume shell_volume46785 ų
Envelope diameter envelope_diameter160.8
Shell Rg shell_rg43.45
Envelope Rg envelope_rg45.60
Shape Rg shape_rg45.86
Total Rg total_rg45.76
Total atoms total_atoms9652
Residues n_residues1170
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 dmax147.3
Rg (real space) rg_real45.71
Rg uncertainty (real space) rg_real_error1.65
I(0) (real space) i0_real2.7580e+08
I(0) uncertainty (real space) i0_real_error5.0140e+06
Rg (reciprocal space) rg_reciprocal45.01
I(0) (reciprocal space) i0_reciprocal275500000.0000
Solution quality estimate total_estimate0.7430
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary33.7
Skewness Skewness skewness0.605
Kurtosis Kurtosis kurtosis-0.395
Angular range angular_range— – 0.1750 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha21490000.0000
Real-space data points n_real_points36
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.710; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.520; Smooth: 0.006

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd4xvaa_
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
Domain ID domain_idd4xvac_
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
Domain ID domain_idd4xvae_
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
Domain ID domain_idd4xvag_
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

CATH v4.4 (8 domains)

Domain ID domain_id4xvaA01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology520 — Peroxidase; domain 1
Homologous superfamily homologous superfamily10
Domain ID domain_id4xvaA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology420 — Peroxidase; domain 2
Homologous superfamily homologous superfamily10 — Peroxidase, domain 2
Domain ID domain_id4xvaC01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology520 — Peroxidase; domain 1
Homologous superfamily homologous superfamily10
Domain ID domain_id4xvaC02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology420 — Peroxidase; domain 2
Homologous superfamily homologous superfamily10 — Peroxidase, domain 2
Domain ID domain_id4xvaE01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology520 — Peroxidase; domain 1
Homologous superfamily homologous superfamily10
Domain ID domain_id4xvaE02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology420 — Peroxidase; domain 2
Homologous superfamily homologous superfamily10 — Peroxidase, domain 2
Domain ID domain_id4xvaG01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology520 — Peroxidase; domain 1
Homologous superfamily homologous superfamily10
Domain ID domain_id4xvaG02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology420 — Peroxidase; domain 2
Homologous superfamily homologous superfamily10 — Peroxidase, domain 2

8. Citations (2)

9. Files and Curves (10)