3fyx

The Structure of OmpF porin with a synthetic dibenzo-18-crown-6 as modulator

Method: X-RAY DIFFRACTION Dmax: 69.0 Å Quality: GOOD

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

Outer membrane protein F

Escherichia coli K12

UniProt P02931

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 × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 23–362 Mutation:K16C 451 N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide × 3 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 3 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;pH 7.5;291 K;0.2 M CaCl2, 48% PEG 400, 0.1 M Na-HEPES, pH 7.5, VAPOR DIFFUSION, temperature 291K Resolution 3.40 Å R-free 0.294

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.

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

View Construct and Data Evidence
UniProt name OMPF_ECOLI
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–340; UniProt 23–362

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 3fyx

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3fyx
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id3fyx
Deposition date deposition_date2009-01-23
Structure title titleThe Structure of OmpF porin with a synthetic dibenzo-18-crown-6 as modulator
Keywords keywords;beta-barrel, ion-channel engineering, porin structure, synthetic ion-current modulator, crown ether, Cell membrane, Cell outer membrane, Ion transport, Membrane, Phage recognition, Porin, Transmembrane, Transport, TRANSPORT PROTEIN ;; TRANSPORT PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier21.38
Radius of gyration Rg (electron density) rg_electron20.54
Forward intensity I(0) i025562900.00
Molecular weight molecular_weight37702.0 kDa
Excluded volume excluded_volume46612 ų
Envelope volume envelope_volume56698 ų
Hydration-shell volume shell_volume22776 ų
Envelope diameter envelope_diameter70.0
Shell Rg shell_rg27.61
Envelope Rg envelope_rg20.63
Shape Rg shape_rg20.54
Total Rg total_rg21.42
Total atoms total_atoms2669
Residues n_residues340
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 dmax69.0
Rg (real space) rg_real21.24
Rg uncertainty (real space) rg_real_error0.38
I(0) (real space) i0_real2.5560e+07
I(0) uncertainty (real space) i0_real_error3.1500e+05
Rg (reciprocal space) rg_reciprocal21.27
I(0) (reciprocal space) i0_reciprocal25560000.0000
Solution quality estimate total_estimate0.8819
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary28.4
Skewness Skewness skewness0.152
Kurtosis Kurtosis kurtosis-0.304
Angular range angular_range— – 0.3700 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha3022000.0000
Real-space data points n_real_points69
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.827; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.984

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id3fyxA00
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology160 — Porin
Homologous superfamily homologous superfamily10 — Porin

8. Citations (1)

9. Files and Curves (10)