2kxx

NMR Structure of Escherichia coli BamE, a Lipoprotein Component of the beta-Barrel Assembly Machinery Complex

Method: SOLUTION NMR Dmax: 66.3 Å Quality: REASONABLE

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

Small protein A

Escherichia coli K-12

UniProt P0A937

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 monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 21–113 Not recorded No other associated polymer SOLUTION NMR NMR measurement conditions:pH 6.6;288 K;Ionic strength (raw mmCIF value) 0.02;Pressure ambient NMR sample composition:0.5 mM [U-100% 13C; U-100% 15N] E. coli protein, 15 % D2O, 85 % H2O, 20 mM Na2HPO4/NaH2PO4, 85% H2O/15% D2O | 85% H2O/15% D2O Resolution not provided

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.

46 other PDB entries and 47 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SMPA_ECOLI
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 5–97; UniProt 21–113

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 2kxx

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2kxx
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2kxx
Deposition date deposition_date2010-05-13
Structure title titleNMR Structure of Escherichia coli BamE, a Lipoprotein Component of the beta-Barrel Assembly Machinery Complex
Keywords keywordsE coli protein, lipoprotein, PROTEIN BINDING; PROTEIN BINDING
Experimental Method methodSOLUTION NMR

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

Radius of gyration Rg (Guinier) rg_guinier17.06
Radius of gyration Rg (electron density) rg_electron16.51
Forward intensity I(0) i0687560000.00
Molecular weight molecular_weight213880.0 kDa
Excluded volume excluded_volume264770 ų
Envelope volume envelope_volume60200 ų
Hydration-shell volume shell_volume21665 ų
Envelope diameter envelope_diameter72.3
Shell Rg shell_rg30.43
Envelope Rg envelope_rg25.27
Shape Rg shape_rg16.45
Total Rg total_rg17.12
Total atoms total_atoms29700
Residues n_residues1940
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 dmax66.3
Rg (real space) rg_real17.32
Rg uncertainty (real space) rg_real_error0.66
I(0) (real space) i0_real6.8760e+08
I(0) uncertainty (real space) i0_real_error9.8250e+06
Rg (reciprocal space) rg_reciprocal17.29
I(0) (reciprocal space) i0_reciprocal687500000.0000
Solution quality estimate total_estimate0.7386
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary15.7
Skewness Skewness skewness0.704
Kurtosis Kurtosis kurtosis0.204
Angular range angular_range— – 0.4650 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha365500.0000
Real-space data points n_real_points77
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.445; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.289; Smooth: 0.974

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (1)

7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id2kxxA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology1450 — Beta-lactamase Inhibitory Protein; Chain:B, domain 1
Homologous superfamily homologous superfamily10

8. Citations (1)

9. Files and Curves (10)