6tr5

Melatonin-Notum complex

Method: X-RAY DIFFRACTION Dmax: 67.0 Å Quality: GOOD

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 ML1 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide × 2 DMS DIMETHYL SULFOXIDE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 8 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 4.2;300 K;1.5 M ammonium sulphate 0.1 M sodium citrate pH 4.2 Resolution 1.51 Å R-free 0.226

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 6tr5

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6tr5
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6tr5
Deposition date deposition_date2019-12-17
Structure title titleMelatonin-Notum complex
Keywords keywordsWnt Notum inhibitor melatonin, HYDROLASE; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier21.52
Radius of gyration Rg (electron density) rg_electron20.03
Forward intensity I(0) i030071300.00
Molecular weight molecular_weight40619.0 kDa
Excluded volume excluded_volume50133 ų
Envelope volume envelope_volume58656 ų
Hydration-shell volume shell_volume23696 ų
Envelope diameter envelope_diameter69.8
Shell Rg shell_rg27.38
Envelope Rg envelope_rg20.40
Shape Rg shape_rg19.98
Total Rg total_rg21.08
Total atoms total_atoms2849
Residues n_residues345
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 dmax67.0
Rg (real space) rg_real21.36
Rg uncertainty (real space) rg_real_error0.48
I(0) (real space) i0_real3.0070e+07
I(0) uncertainty (real space) i0_real_error3.7090e+05
Rg (reciprocal space) rg_reciprocal21.39
I(0) (reciprocal space) i0_reciprocal30070000.0000
Solution quality estimate total_estimate0.8134
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary27.6
Skewness Skewness skewness0.118
Kurtosis Kurtosis kurtosis-0.421
Angular range angular_range— – 0.3700 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha4805000.0000
Real-space data points n_real_points69
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.865; Stabil: 0.995; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 1 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd6tr5a_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.69 — alpha/beta-Hydrolases
Superfamily Superfamily superfamilyc.69.1 — alpha/beta-Hydrolases
Family Family familyc.69.1.42 — Pectinacetylesterase-like

8. Citations (1)

9. Files and Curves (10)