5ens

Rhodamine bound structure of bacterial efflux pump.

Method: X-RAY DIFFRACTION Dmax: 124.8 Å Quality: GOOD

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

Multidrug efflux pump subunit AcrB,Multidrug efflux pump subunit AcrB

Escherichia coli K-12

UniProt P31224

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 × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain A; UniProt 39–329 Chain A; UniProt 561–869 Chain B; UniProt 39–329 Chain B; UniProt 561–869 Chain C; UniProt 39–329 Chain C; UniProt 561–869 Not recorded DARPin × 3 RHQ RHODAMINE 6G × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;291 K;0.1 MES pH6.5, 0.21M NaCl, 11.5% PEG4000 Resolution 2.80 Å R-free 0.258

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.

117 other PDB entries and 124 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ACRB_ECOLI
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–291; UniProt 39–329 Author chain A; PDBConstruct 301–609; UniProt 561–869 Author chain B; PDBConstruct 1–291; UniProt 39–329 Author chain B; PDBConstruct 301–609; UniProt 561–869 Author chain C; PDBConstruct 1–291; UniProt 39–329 Author chain C; PDBConstruct 301–609; UniProt 561–869

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 5ens

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id5ens
Deposition date deposition_date2015-11-09
Structure title titleRhodamine bound structure of bacterial efflux pump.
Keywords keywordsEfflux pump, 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_guinier40.02
Radius of gyration Rg (electron density) rg_electron39.44
Forward intensity I(0) i0857437000.00
Molecular weight molecular_weight238170.0 kDa
Excluded volume excluded_volume297240 ų
Envelope volume envelope_volume393560 ų
Hydration-shell volume shell_volume79067 ų
Envelope diameter envelope_diameter127.1
Shell Rg shell_rg47.96
Envelope Rg envelope_rg39.16
Shape Rg shape_rg39.44
Total Rg total_rg39.86
Total atoms total_atoms16757
Residues n_residues2201
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 dmax124.8
Rg (real space) rg_real39.83
Rg uncertainty (real space) rg_real_error0.64
I(0) (real space) i0_real8.5740e+08
I(0) uncertainty (real space) i0_real_error1.3320e+07
Rg (reciprocal space) rg_reciprocal40.02
I(0) (reciprocal space) i0_reciprocal857600000.0000
Solution quality estimate total_estimate0.8913
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks0
Primary peak position r_peak_primary
Skewness Skewness skewness0.153
Kurtosis Kurtosis kurtosis-0.484
Angular range angular_range— – 0.1950 −1
Current regularization parameter α current_alpha0.0001
Highest regularization parameter α highest_alpha147500000.0000
Real-space data points n_real_points40
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.914; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.861

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 15 domains

CATH v4.4 (15 domains)

Domain ID domain_id5ensA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily1430 — Multidrug efflux transporter AcrB pore domain
Domain ID domain_id5ensA02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily1320 — Multidrug efflux transporter AcrB pore domain like
Domain ID domain_id5ensA04
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily1430 — Multidrug efflux transporter AcrB pore domain
Domain ID domain_id5ensA05
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily1440 — Multidrug efflux transporter AcrB pore domain
Domain ID domain_id5ensB01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily1430 — Multidrug efflux transporter AcrB pore domain
Domain ID domain_id5ensB02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily1320 — Multidrug efflux transporter AcrB pore domain like
Domain ID domain_id5ensB04
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily1430 — Multidrug efflux transporter AcrB pore domain
Domain ID domain_id5ensB05
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily1440 — Multidrug efflux transporter AcrB pore domain
Domain ID domain_id5ensC01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily1430 — Multidrug efflux transporter AcrB pore domain
Domain ID domain_id5ensC02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily1320 — Multidrug efflux transporter AcrB pore domain like
Domain ID domain_id5ensC04
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily1430 — Multidrug efflux transporter AcrB pore domain
Domain ID domain_id5ensC05
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily1440 — Multidrug efflux transporter AcrB pore domain
Domain ID domain_id5ensD00
Class class1 — Mainly Alpha
Architecture architecture25 — Alpha Horseshoe
Topology topology40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat
Homologous superfamily homologous superfamily20 — Ankyrin repeat-containing domain
Domain ID domain_id5ensE00
Class class1 — Mainly Alpha
Architecture architecture25 — Alpha Horseshoe
Topology topology40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat
Homologous superfamily homologous superfamily20 — Ankyrin repeat-containing domain
Domain ID domain_id5ensF00
Class class1 — Mainly Alpha
Architecture architecture25 — Alpha Horseshoe
Topology topology40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat
Homologous superfamily homologous superfamily20 — Ankyrin repeat-containing domain

8. Citations (1)

9. Files and Curves (10)