6ke5

Structure of CavAb in complex with Diltiazem and Amlodipine

Method: X-RAY DIFFRACTION Dmax: 110.0 Å Quality: GOOD

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

Ion transport protein

Arcobacter butzleri RM4018

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 Protein homooligomer Homooligomer Protein × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain A; UniProt 1–267 Chain B; UniProt 1–267 Chain C; UniProt 1–267 Chain D; UniProt 1–267 Not recorded LPC [1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE × 3 CA CALCIUM ION × 3 G3P SN-GLYCEROL-3-PHOSPHATE × 5 6UB amlodipine × 1 D6C [(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5;298 K;0.1M Na-citrate,pH5.0,2M Ammonium Sulfate Resolution 2.80 Å R-free 0.292

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 18–284; UniProt 1–267 Author chain B; PDBConstruct 18–284; UniProt 1–267 Author chain C; PDBConstruct 18–284; UniProt 1–267 Author chain D; PDBConstruct 18–284; UniProt 1–267

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 6ke5

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6ke5
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6ke5
Deposition date deposition_date2019-07-03
Structure title titleStructure of CavAb in complex with Diltiazem and Amlodipine
Keywords keywordsVoltage gated Ion Channel, Voltage-gated Calcium Channel, Block, Tetrameric, MEMBRANE PROTEIN; MEMBRANE PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier33.85
Radius of gyration Rg (electron density) rg_electron33.11
Forward intensity I(0) i0134199000.00
Molecular weight molecular_weight107360.0 kDa
Excluded volume excluded_volume140500 ų
Envelope volume envelope_volume182560 ų
Hydration-shell volume shell_volume46107 ų
Envelope diameter envelope_diameter119.3
Shell Rg shell_rg39.71
Envelope Rg envelope_rg33.30
Shape Rg shape_rg33.11
Total Rg total_rg33.70
Total atoms total_atoms7575
Residues n_residues902
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 dmax110.0
Rg (real space) rg_real33.74
Rg uncertainty (real space) rg_real_error0.86
I(0) (real space) i0_real1.3420e+08
I(0) uncertainty (real space) i0_real_error2.0570e+06
Rg (reciprocal space) rg_reciprocal33.81
I(0) (reciprocal space) i0_reciprocal134200000.0000
Solution quality estimate total_estimate0.8808
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary107.7
Skewness Skewness skewness0.199
Kurtosis Kurtosis kurtosis-0.288
Angular range angular_range— – 0.2350 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha14650000.0000
Real-space data points n_real_points48
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.842; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.920

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd6ke5a_
Class classf — Membrane and cell surface proteins and peptides
Fold Fold foldf.14 — Gated ion channels
Superfamily Superfamily superfamilyf.14.1 — Voltage-gated ion channels
Family Family familyf.14.1.2 — Voltage-gated Na/Ca cation channels
Domain ID domain_idd6ke5b_
Class classf — Membrane and cell surface proteins and peptides
Fold Fold foldf.14 — Gated ion channels
Superfamily Superfamily superfamilyf.14.1 — Voltage-gated ion channels
Family Family familyf.14.1.2 — Voltage-gated Na/Ca cation channels
Domain ID domain_idd6ke5c_
Class classf — Membrane and cell surface proteins and peptides
Fold Fold foldf.14 — Gated ion channels
Superfamily Superfamily superfamilyf.14.1 — Voltage-gated ion channels
Family Family familyf.14.1.2 — Voltage-gated Na/Ca cation channels
Domain ID domain_idd6ke5d_
Class classf — Membrane and cell surface proteins and peptides
Fold Fold foldf.14 — Gated ion channels
Superfamily Superfamily superfamilyf.14.1 — Voltage-gated ion channels
Family Family familyf.14.1.2 — Voltage-gated Na/Ca cation channels

8. Citations (1)

9. Files and Curves (10)