7bch

Notum Fragment 772

Method: X-RAY DIFFRACTION Dmax: 67.3 Å Quality: REASONABLE

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

Palmitoleoyl-protein carboxylesterase NOTUM

Homo sapiens

UniProt Q6P988

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 81–451 Not recorded SO4 SULFATE ION × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 T9Q N-Benzyl-2-methoxyacetamide × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;296 K;1.5 M Ammonium Sulphate 0.1 M Sodium Citrate, pH4.2 Resolution 1.70 Å R-free 0.247

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.

140 other PDB entries and 149 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name NOTUM_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 4–374; UniProt 81–451

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 7bch

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id7bch
Deposition date deposition_date2020-12-19
Structure title titleNotum Fragment 772
Keywords keywordsNotum Inhibitor, HYDROLASE; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier21.07
Radius of gyration Rg (electron density) rg_electron19.65
Forward intensity I(0) i026343200.00
Molecular weight molecular_weight38409.0 kDa
Excluded volume excluded_volume47562 ų
Envelope volume envelope_volume55169 ų
Hydration-shell volume shell_volume22827 ų
Envelope diameter envelope_diameter72.0
Shell Rg shell_rg26.80
Envelope Rg envelope_rg19.96
Shape Rg shape_rg19.62
Total Rg total_rg20.64
Total atoms total_atoms2702
Residues n_residues339
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 dmax67.3
Rg (real space) rg_real20.92
Rg uncertainty (real space) rg_real_error0.31
I(0) (real space) i0_real2.6340e+07
I(0) uncertainty (real space) i0_real_error3.1020e+05
Rg (reciprocal space) rg_reciprocal20.95
I(0) (reciprocal space) i0_reciprocal26340000.0000
Solution quality estimate total_estimate0.7120
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary26.7
Skewness Skewness skewness0.090
Kurtosis Kurtosis kurtosis-0.470
Angular range angular_range— – 0.3750 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha4714000.0000
Real-space data points n_real_points69
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.865; Stabil: 1.000; Sysdev: 0.225; Positv: 1.000; Valcen: 0.993; Smooth: 0.991

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

8. Citations (1)

9. Files and Curves (10)