7gaj

PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z285233820

Method: X-RAY DIFFRACTION Dmax: 52.6 Å Quality: GOOD

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

Microtubule-associated proteins 1A/1B light chain 3B

Homo sapiens

UniProt Q9GZQ8

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 1–120 Mutation:TruncationafterGly120 KB3 (5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine × 1 EDO 1,2-ETHANEDIOL × 9 CL CHLORIDE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 4.7;293 K;36% PEG 8000, 0.1M acetate pH 4.7 Resolution 1.89 Å R-free 0.229

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.

49 other PDB entries and 64 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MLP3B_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 2–121; UniProt 1–120

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 7gaj

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id7gaj
Deposition date deposition_date2023-08-10
Structure title titlePanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z285233820
Keywords keywordsSGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, STRUCTURAL PROTEIN; STRUCTURAL PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier15.84
Radius of gyration Rg (electron density) rg_electron14.28
Forward intensity I(0) i03955990.00
Molecular weight molecular_weight14308.0 kDa
Excluded volume excluded_volume18095 ų
Envelope volume envelope_volume20700 ų
Hydration-shell volume shell_volume12430 ų
Envelope diameter envelope_diameter51.3
Shell Rg shell_rg19.95
Envelope Rg envelope_rg14.54
Shape Rg shape_rg14.28
Total Rg total_rg15.49
Total atoms total_atoms1005
Residues n_residues115
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 dmax52.6
Rg (real space) rg_real15.75
Rg uncertainty (real space) rg_real_error0.31
I(0) (real space) i0_real3.9560e+06
I(0) uncertainty (real space) i0_real_error5.1630e+04
Rg (reciprocal space) rg_reciprocal15.76
I(0) (reciprocal space) i0_reciprocal3956000.0000
Solution quality estimate total_estimate0.8761
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary21.3
Skewness Skewness skewness0.154
Kurtosis Kurtosis kurtosis-0.324
Angular range angular_range— – 0.5000 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha731300.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.800; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.986

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

8. Citations (1)

9. Files and Curves (10)