5ek0

Human Nav1.7-VSD4-NavAb in complex with GX-936.

Method: X-RAY DIFFRACTION Dmax: 114.3 Å Quality: REASONABLE

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

Chimera of bacterial Ion transport protein and human Sodium channel protein type 9 subunit alpha

Arcobacter butzleri, Homo sapiens

UniProt A8EVM5

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Homooligomer Protein × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain A; UniProt 1–23 Chain A; UniProt 58–78 Chain A; UniProt 109–267 Chain B; UniProt 1–23 Chain B; UniProt 58–78 Chain B; UniProt 109–267 Chain C; UniProt 1–23 Chain C; UniProt 58–78 Chain C; UniProt 109–267 Chain D; UniProt 1–23 Chain D; UniProt 58–78 Chain D; UniProt 109–267 Not recorded PX4 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 21 5P2 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.4;277 K;2.2 ammonium sulfate, 100 mM sodium citrate pH 5.4 Resolution 3.53 Å R-free 0.272

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.

71 other PDB entries and 73 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name A8EVM5_ARCB4
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 19–41; UniProt 1–23 Author chain A; PDBConstruct 75–95; UniProt 58–78 Author chain A; PDBConstruct 138–296; UniProt 109–267 Author chain B; PDBConstruct 19–41; UniProt 1–23 Author chain B; PDBConstruct 75–95; UniProt 58–78 Author chain B; PDBConstruct 138–296; UniProt 109–267 Author chain C; PDBConstruct 19–41; UniProt 1–23 Author chain C; PDBConstruct 75–95; UniProt 58–78 Author chain C; PDBConstruct 138–296; UniProt 109–267 Author chain D; PDBConstruct 19–41; UniProt 1–23 Author chain D; PDBConstruct 75–95; UniProt 58–78 Author chain D; PDBConstruct 138–296; UniProt 109–267

Chimera of bacterial Ion transport protein and human Sodium channel protein type 9 subunit alpha

Arcobacter butzleri, Homo sapiens

UniProt Q15858

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Homooligomer Protein × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain A; UniProt 1527–1559 Chain A; UniProt 1581–1622 Chain B; UniProt 1527–1559 Chain B; UniProt 1581–1622 Chain C; UniProt 1527–1559 Chain C; UniProt 1581–1622 Chain D; UniProt 1527–1559 Chain D; UniProt 1581–1622 Not recorded PX4 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 21 5P2 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.4;277 K;2.2 ammonium sulfate, 100 mM sodium citrate pH 5.4 Resolution 3.53 Å R-free 0.272

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.

42 other PDB entries and 42 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SCN9A_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 42–74; UniProt 1527–1559 Author chain A; PDBConstruct 96–137; UniProt 1581–1622 Author chain B; PDBConstruct 42–74; UniProt 1527–1559 Author chain B; PDBConstruct 96–137; UniProt 1581–1622 Author chain C; PDBConstruct 42–74; UniProt 1527–1559 Author chain C; PDBConstruct 96–137; UniProt 1581–1622 Author chain D; PDBConstruct 42–74; UniProt 1527–1559 Author chain D; PDBConstruct 96–137; UniProt 1581–1622

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 5ek0

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5ek0
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5ek0
Deposition date deposition_date2015-11-03
Structure title titleHuman Nav1.7-VSD4-NavAb in complex with GX-936.
Keywords keywordsmembrane protein, ion channel, voltage-gated sodium channel, small molecule antagonist, METAL TRANSPORT; METAL TRANSPORT
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier35.44
Radius of gyration Rg (electron density) rg_electron34.55
Forward intensity I(0) i0169849000.00
Molecular weight molecular_weight121840.0 kDa
Excluded volume excluded_volume159470 ų
Envelope volume envelope_volume200900 ų
Hydration-shell volume shell_volume48527 ų
Envelope diameter envelope_diameter126.4
Shell Rg shell_rg41.01
Envelope Rg envelope_rg34.84
Shape Rg shape_rg34.57
Total Rg total_rg34.97
Total atoms total_atoms8571
Residues n_residues979
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 dmax114.3
Rg (real space) rg_real36.01
Rg uncertainty (real space) rg_real_error0.40
I(0) (real space) i0_real1.6750e+08
I(0) uncertainty (real space) i0_real_error2.4640e+06
Rg (reciprocal space) rg_reciprocal35.38
I(0) (reciprocal space) i0_reciprocal169900000.0000
Solution quality estimate total_estimate0.6872
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary48.3
Skewness Skewness skewness0.259
Kurtosis Kurtosis kurtosis-0.090
Angular range angular_range— – 0.2250 −1
Current regularization parameter α current_alpha2.8090
Highest regularization parameter α highest_alpha12950000.0000
Real-space data points n_real_points46
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.829; Stabil: 0.926; Sysdev: 0.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.698

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 8 domains

CATH v4.4 (8 domains)

Domain ID domain_id5ek0A01
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology120 — Four Helix Bundle (Hemerythrin (Met), subunit A)
Homologous superfamily homologous superfamily350 — Voltage-gated potassium channels. Chain C
Domain ID domain_id5ek0A02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology287 — Helix Hairpins
Homologous superfamily homologous superfamily70
Domain ID domain_id5ek0B01
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology120 — Four Helix Bundle (Hemerythrin (Met), subunit A)
Homologous superfamily homologous superfamily350 — Voltage-gated potassium channels. Chain C
Domain ID domain_id5ek0B02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology287 — Helix Hairpins
Homologous superfamily homologous superfamily70
Domain ID domain_id5ek0C01
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology120 — Four Helix Bundle (Hemerythrin (Met), subunit A)
Homologous superfamily homologous superfamily350 — Voltage-gated potassium channels. Chain C
Domain ID domain_id5ek0C02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology287 — Helix Hairpins
Homologous superfamily homologous superfamily70
Domain ID domain_id5ek0D01
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology120 — Four Helix Bundle (Hemerythrin (Met), subunit A)
Homologous superfamily homologous superfamily350 — Voltage-gated potassium channels. Chain C
Domain ID domain_id5ek0D02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology287 — Helix Hairpins
Homologous superfamily homologous superfamily70

8. Citations (1)

9. Files and Curves (10)