7pr4

Cocrystal Form II of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster

Method: X-RAY DIFFRACTION Dmax: 55.9 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 monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 3–109 Not recorded HEC HEME C × 1 80M sulfonato-thiacalix[4]arene × 1 ZN ZINC ION × 6 PO4 PHOSPHATE ION × 3 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.6;293 K;20% PEG 3350, 100 mM sodium acetate pH 5.6, 10 mM zinc acetate Resolution 1.32 Å R-free 0.225

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

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 7pr4

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7pr4
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7pr4
Deposition date deposition_date2021-09-20
Structure title titleCocrystal Form II of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster
Keywords keywordscalixarene, molecular glue, synthetic receptor, alpha helix, thiacalixarene, metal cluster, 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_guinier16.08
Radius of gyration Rg (electron density) rg_electron14.19
Forward intensity I(0) i04632140.00
Molecular weight molecular_weight14068.0 kDa
Excluded volume excluded_volume16898 ų
Envelope volume envelope_volume18267 ų
Hydration-shell volume shell_volume11553 ų
Envelope diameter envelope_diameter54.3
Shell Rg shell_rg19.33
Envelope Rg envelope_rg14.21
Shape Rg shape_rg13.71
Total Rg total_rg16.25
Total atoms total_atoms953
Residues n_residues107
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 dmax55.9
Rg (real space) rg_real16.11
Rg uncertainty (real space) rg_real_error0.37
I(0) (real space) i0_real4.6320e+06
I(0) uncertainty (real space) i0_real_error5.7960e+04
Rg (reciprocal space) rg_reciprocal16.11
I(0) (reciprocal space) i0_reciprocal4632000.0000
Solution quality estimate total_estimate0.8635
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary19.8
Skewness Skewness skewness0.385
Kurtosis Kurtosis kurtosis-0.124
Angular range angular_range— – 0.4950 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha249100.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.773; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.934; Smooth: 0.968

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id7pr4A01
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)