12ki

Designed pentameric proton channel LLQL I13S

Method: X-RAY DIFFRACTION Dmax: 68.5 Å Quality: REASONABLE

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

No usable UniProt protein identity is available for this entry.

七张关系表仍保留该条目的 assembly 与组成信息,但缺少统一蛋白身份时,不能可靠建立跨 PDB 的同蛋白Chain接。

Assembly Composition of the Current Entry

Assembly Oligomeric State 实体与Construct证据 Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein homooligomer Homooligomer 蛋白 5 / DNA 0 / RNA 0 / 其他Polymer 0 PDB declaration: pentameric Entity 1:Proton channel LLQL I13S × 5 缺少 UniProt 身份时不显示参考序列区间 Not recorded OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:LIPIDIC CUBIC PHASE;293 K;6% EG, 0.1 M NaCacod pH 6, 6.6% PEG 8K, 0.15 M ZnAcet Resolution 2.80 Å R-free 0.278
2 Protein homooligomer Homooligomer 蛋白 5 / DNA 0 / RNA 0 / 其他Polymer 0 PDB declaration: pentameric Entity 1:Proton channel LLQL I13S × 5 缺少 UniProt 身份时不显示参考序列区间 Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:LIPIDIC CUBIC PHASE;293 K;6% EG, 0.1 M NaCacod pH 6, 6.6% PEG 8K, 0.15 M ZnAcet Resolution 2.80 Å R-free 0.278

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 12ki

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 12ki
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2. Structure Basics 2. Structure Basics

Entry ID entry_id12ki
Deposition date deposition_date2026-04-09
最后修订 last_revision2026-05-06
Structure title titleDesigned pentameric proton channel LLQL I13S
Keywords keywordsproton channel, helical bundle, membrane protein, designed protein; MEMBRANE PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier21.08
Radius of gyration Rg (electron density) rg_electron19.99
Forward intensity I(0) i09230670.00
Molecular weight molecular_weight30478.0 kDa
Excluded volume excluded_volume41685 ų
Envelope volume envelope_volume47270 ų
Hydration-shell volume shell_volume19851 ų
Envelope diameter envelope_diameter68.7
Shell Rg shell_rg26.08
Envelope Rg envelope_rg20.15
Shape Rg shape_rg20.01
Total Rg total_rg21.07
Total atoms total_atoms2164
Residues n_residues257
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 dmax68.5
Rg (real space) rg_real21.02
Rg uncertainty (real space) rg_real_error0.47
I(0) (real space) i0_real9.2310e+06
I(0) uncertainty (real space) i0_real_error1.3460e+05
Rg (reciprocal space) rg_reciprocal21.03
I(0) (reciprocal space) i0_reciprocal9231000.0000
Solution quality estimate total_estimate0.7002
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary19.1
Skewness Skewness skewness0.191
Kurtosis Kurtosis kurtosis-0.523
Angular range angular_range— – 0.3750 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha4760000.0000
Real-space data points n_real_points69
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.816; Stabil: 0.999; Sysdev: 0.225; Positv: 1.000; Valcen: 0.985; Smooth: 0.994

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

8. Citations (1)

9. Files and Curves (10)