7pr2

Cocrystal of cytochrome c and sulfonato-thiacalix[4]arene

Method: X-RAY DIFFRACTION Dmax: 65.0 Å Quality: GOOD

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

Cytochrome c iso-1

Saccharomyces cerevisiae (strain ATCC 204508 / S288c)

UniProt P00044

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 3–109 Chain B; UniProt 3–109 Not recorded HEC HEME C × 2 80M sulfonato-thiacalix[4]arene × 3 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.6;293 K;25% PEG 3350, 100 mM tri-Sodium citrate pH 5.6, 100 mM Magnesium chloride Resolution 1.73 Å R-free 0.251

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.

91 other PDB entries and 125 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CYC1_YEAST
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 2–108; UniProt 3–109 Author chain B; PDBConstruct 2–108; UniProt 3–109

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 7pr2

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7pr2
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7pr2
Deposition date deposition_date2021-09-20
Structure title titleCocrystal of cytochrome c and sulfonato-thiacalix[4]arene
Keywords keywordscalixarene, molecular glue, synthetic receptor, alpha helix, thiacalixarene, ELECTRON TRANSPORT; ELECTRON TRANSPORT
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier19.79
Radius of gyration Rg (electron density) rg_electron19.02
Forward intensity I(0) i014734800.00
Molecular weight molecular_weight27741.0 kDa
Excluded volume excluded_volume34090 ų
Envelope volume envelope_volume38864 ų
Hydration-shell volume shell_volume17658 ų
Envelope diameter envelope_diameter64.2
Shell Rg shell_rg24.48
Envelope Rg envelope_rg19.07
Shape Rg shape_rg18.94
Total Rg total_rg19.99
Total atoms total_atoms1922
Residues n_residues216
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 dmax65.0
Rg (real space) rg_real19.76
Rg uncertainty (real space) rg_real_error0.42
I(0) (real space) i0_real1.4730e+07
I(0) uncertainty (real space) i0_real_error1.6750e+05
Rg (reciprocal space) rg_reciprocal19.77
I(0) (reciprocal space) i0_reciprocal14730000.0000
Solution quality estimate total_estimate0.8895
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary22.0
Skewness Skewness skewness0.315
Kurtosis Kurtosis kurtosis-0.387
Angular range angular_range— – 0.4000 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha2103000.0000
Real-space data points n_real_points72
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.864; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.982

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id7pr2A01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology760 — Cytochrome Bc1 Complex; Chain D, domain 2
Homologous superfamily homologous superfamily10 — Cytochrome c-like domain
Domain ID domain_id7pr2B01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology760 — Cytochrome Bc1 Complex; Chain D, domain 2
Homologous superfamily homologous superfamily10 — Cytochrome c-like domain

8. Citations (1)

9. Files and Curves (10)