6rsj

Cytochrome c co-crystallized with 20 eq. sulfonato-calix[8]arene and soaked with 25 eq. spermine - structure I

Method: X-RAY DIFFRACTION Dmax: 50.9 Å Quality: REASONABLE

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

Cytochrome c iso-1

Saccharomyces cerevisiae 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 EVB sulfonato-calix[8]arene × 3 SPM SPERMINE × 2 SO4 SULFATE ION × 2 GOL GLYCEROL × 5 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;0.10 M HEPES pH 7.5, 0.15 M NaCl, 2.2 M Ammonium sulfate, 0.04 M sulfonato-calix[8]arene Resolution 2.27 Å R-free 0.212

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 6rsj

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6rsj
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6rsj
Deposition date deposition_date2019-05-21
Structure title titleCytochrome c co-crystallized with 20 eq. sulfonato-calix[8]arene and soaked with 25 eq. spermine - structure I
Keywords keywordsMolecular glues, Molecular switch, spermine, polyamine, calixarene, supramolecular chemistry, OXIDOREDUCTASE, cytc; OXIDOREDUCTASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier16.29
Radius of gyration Rg (electron density) rg_electron14.75
Forward intensity I(0) i07152690.00
Molecular weight molecular_weight18171.0 kDa
Excluded volume excluded_volume22042 ų
Envelope volume envelope_volume24888 ų
Hydration-shell volume shell_volume14068 ų
Envelope diameter envelope_diameter49.9
Shell Rg shell_rg20.81
Envelope Rg envelope_rg15.14
Shape Rg shape_rg14.61
Total Rg total_rg16.19
Total atoms total_atoms1245
Residues n_residues108
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 dmax50.9
Rg (real space) rg_real16.17
Rg uncertainty (real space) rg_real_error0.23
I(0) (real space) i0_real7.1530e+06
I(0) uncertainty (real space) i0_real_error8.3920e+04
Rg (reciprocal space) rg_reciprocal16.18
I(0) (reciprocal space) i0_reciprocal7153000.0000
Solution quality estimate total_estimate0.7422
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary21.5
Skewness Skewness skewness0.135
Kurtosis Kurtosis kurtosis-0.363
Angular range angular_range— – 0.4900 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha2002000.0000
Real-space data points n_real_points79
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.876; Stabil: 1.000; Sysdev: 0.353; Positv: 1.000; Valcen: 0.984; Smooth: 0.974

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd6rsja1
Class classa — All alpha proteins
Fold Fold folda.3 — Cytochrome c
Superfamily Superfamily superfamilya.3.1 — Cytochrome c
Family Family familya.3.1.1 — monodomain cytochrome c
Domain ID domain_idd6rsja2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

8. Citations (1)

9. Files and Curves (10)