7jxt

Ovine COX-1 in complex with the subtype-selective derivative 2a

Method: X-RAY DIFFRACTION Dmax: 101.0 Å Quality: EXCELLENT

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

Prostaglandin G/H synthase 1

Ovis aries

UniProt P05979

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Homooligomer Protein × 2 其他Polymer 6 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 32–584 Chain B; UniProt 32–584 Not recorded 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 W8M 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;296 K;0.5-0.9 M LiCl, 0.7 M sodium citrate pH 6.5, 1 mM sodium azide and 0.3 %(w/v) beta-OG Resolution 3.35 Å R-free 0.250

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.

20 other PDB entries and 20 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PGH1_SHEEP
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–553; UniProt 32–584 Author chain B; PDBConstruct 1–553; UniProt 32–584

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 7jxt

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7jxt
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id7jxt
Deposition date deposition_date2020-08-27
Structure title titleOvine COX-1 in complex with the subtype-selective derivative 2a
Keywords keywordsCyclooxygenase-1, oxidoreductase inhibitor, OXIDOREDUCTASE, OXIDOREDUCTASE-INHIBITOR complex; OXIDOREDUCTASE/INHIBITOR
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier32.38
Radius of gyration Rg (electron density) rg_electron31.42
Forward intensity I(0) i0251312000.00
Molecular weight molecular_weight131390.0 kDa
Excluded volume excluded_volume165740 ų
Envelope volume envelope_volume198430 ų
Hydration-shell volume shell_volume50451 ų
Envelope diameter envelope_diameter105.2
Shell Rg shell_rg40.36
Envelope Rg envelope_rg31.42
Shape Rg shape_rg31.40
Total Rg total_rg32.17
Total atoms total_atoms18161
Residues n_residues1106
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 dmax101.0
Rg (real space) rg_real32.23
Rg uncertainty (real space) rg_real_error0.50
I(0) (real space) i0_real2.5130e+08
I(0) uncertainty (real space) i0_real_error3.2200e+06
Rg (reciprocal space) rg_reciprocal32.30
I(0) (reciprocal space) i0_reciprocal251300000.0000
Solution quality estimate total_estimate0.9021
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary39.2
Skewness Skewness skewness0.215
Kurtosis Kurtosis kurtosis-0.491
Angular range angular_range— – 0.2450 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha86830000.0000
Real-space data points n_real_points50
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.931; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.939

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

8. Citations (1)

9. Files and Curves (10)