7pr3

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

Method: X-RAY DIFFRACTION Dmax: 82.1 Å Quality: EXCELLENT

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 × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain A; UniProt 3–109 Chain B; UniProt 3–109 Chain C; UniProt 3–109 Chain D; UniProt 3–109 Not recorded HEC HEME C × 4 ZN ZINC ION × 33 80M sulfonato-thiacalix[4]arene × 6 PO4 PHOSPHATE ION × 6 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, 30 mM zinc acetate Resolution 2.37 Å R-free 0.253

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 Author chain C; PDBConstruct 2–108; UniProt 3–109 Author chain D; 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 7pr3

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7pr3
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7pr3
Deposition date deposition_date2021-09-20
Structure title titleCocrystal Form I 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_guinier27.28
Radius of gyration Rg (electron density) rg_electron26.38
Forward intensity I(0) i067882300.00
Molecular weight molecular_weight57926.0 kDa
Excluded volume excluded_volume69210 ų
Envelope volume envelope_volume85492 ų
Hydration-shell volume shell_volume27565 ų
Envelope diameter envelope_diameter83.1
Shell Rg shell_rg33.02
Envelope Rg envelope_rg25.90
Shape Rg shape_rg26.37
Total Rg total_rg27.06
Total atoms total_atoms3887
Residues n_residues428
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 dmax82.1
Rg (real space) rg_real27.11
Rg uncertainty (real space) rg_real_error0.48
I(0) (real space) i0_real6.7880e+07
I(0) uncertainty (real space) i0_real_error9.5560e+05
Rg (reciprocal space) rg_reciprocal27.16
I(0) (reciprocal space) i0_reciprocal67890000.0000
Solution quality estimate total_estimate0.9127
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary39.6
Skewness Skewness skewness0.028
Kurtosis Kurtosis kurtosis-0.636
Angular range angular_range— – 0.2900 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha4183000.0000
Real-space data points n_real_points59
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.964; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.974

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id7pr3A01
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_id7pr3B01
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_id7pr3C01
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_id7pr3D01
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)