5v02

A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA

Method: X-RAY DIFFRACTION Dmax: 84.4 Å Quality: GOOD

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

Small conductance calcium-activated potassium channel protein 2

Homo sapiens

UniProt Q9H2S1

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain B; UniProt 395–486 Fragment:UNP residues 395-486 Calmodulin-1 × 1 (P0DP23) SO4 SULFATE ION × 2 657 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine × 1 GOL GLYCEROL × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;295 K;ammonia sulfate Resolution 1.78 Å R-free 0.215

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.

15 other PDB entries and 17 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name KCNN2_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain B; PDBConstruct 3–94; UniProt 395–486

Calmodulin-1

Homo sapiens

UniProt P0DP23

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain R; UniProt 1–149 Not recorded Small conductance calcium-activated potassium channel protein 2 × 1 (Q9H2S1) SO4 SULFATE ION × 2 657 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine × 1 GOL GLYCEROL × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;295 K;ammonia sulfate Resolution 1.78 Å R-free 0.215

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.

213 other PDB entries and 279 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CALM1_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain R; PDBConstruct 1–149; UniProt 1–149

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 5v02

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5v02
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5v02
Deposition date deposition_date2017-02-28
Structure title titleA positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA
Keywords keywordscalcium-activated ion channels, activator, calmodulin, TRANSPORT PROTEIN-Metal Binding protein complex; TRANSPORT PROTEIN/Metal Binding protein
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier25.55
Radius of gyration Rg (electron density) rg_electron25.23
Forward intensity I(0) i014231800.00
Molecular weight molecular_weight27255.0 kDa
Excluded volume excluded_volume33589 ų
Envelope volume envelope_volume46860 ų
Hydration-shell volume shell_volume17091 ų
Envelope diameter envelope_diameter88.4
Shell Rg shell_rg29.14
Envelope Rg envelope_rg25.11
Shape Rg shape_rg25.23
Total Rg total_rg25.73
Total atoms total_atoms1906
Residues n_residues233
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 dmax84.4
Rg (real space) rg_real25.65
Rg uncertainty (real space) rg_real_error0.54
I(0) (real space) i0_real1.4230e+07
I(0) uncertainty (real space) i0_real_error2.0530e+05
Rg (reciprocal space) rg_reciprocal25.62
I(0) (reciprocal space) i0_reciprocal14230000.0000
Solution quality estimate total_estimate0.8830
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary21.8
Skewness Skewness skewness0.290
Kurtosis Kurtosis kurtosis-0.667
Angular range angular_range— – 0.3100 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha1051000.0000
Real-space data points n_real_points63
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.898; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.794; Smooth: 0.986

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

7. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd5v02b1
Class classf — Membrane and cell surface proteins and peptides
Fold Fold foldf.15 — Small-conductance potassium channel
Superfamily Superfamily superfamilyf.15.1 — Small-conductance potassium channel
Family Family familyf.15.1.1 — Small-conductance potassium channel
Domain ID domain_idd5v02b2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd5v02b3
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd5v02r_
Class classa — All alpha proteins
Fold Fold folda.39 — EF Hand-like
Superfamily Superfamily superfamilya.39.1 — EF-hand
Family Family familya.39.1.5 — Calmodulin-like

CATH v4.4 (2 domains)

Domain ID domain_id5v02B00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology287 — Helix Hairpins
Homologous superfamily homologous superfamily70
Domain ID domain_id5v02R01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology238 — Recoverin; domain 1
Homologous superfamily homologous superfamily10 — EF-hand

8. Citations (1)

9. Files and Curves (10)