5ent

Minocycline bound structure of bacterial efflux pump.

Method: X-RAY DIFFRACTION Dmax: 126.5 Å Quality: REASONABLE

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 MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;291 K;0.1 M MES pH6.5, 0.21 M NaCl, 11.5% PEG4000 Resolution 2.50 Å R-free 0.248

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 5ent

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id5ent
Deposition date deposition_date2015-11-09
Structure title titleMinocycline 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_guinier40.18
Radius of gyration Rg (electron density) rg_electron39.57
Forward intensity I(0) i0878872000.00
Molecular weight molecular_weight240530.0 kDa
Excluded volume excluded_volume299900 ų
Envelope volume envelope_volume397610 ų
Hydration-shell volume shell_volume79607 ų
Envelope diameter envelope_diameter126.8
Shell Rg shell_rg48.05
Envelope Rg envelope_rg39.27
Shape Rg shape_rg39.58
Total Rg total_rg39.98
Total atoms total_atoms16926
Residues n_residues2218
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 dmax126.5
Rg (real space) rg_real39.99
Rg uncertainty (real space) rg_real_error0.63
I(0) (real space) i0_real8.7890e+08
I(0) uncertainty (real space) i0_real_error1.4240e+07
Rg (reciprocal space) rg_reciprocal40.17
I(0) (reciprocal space) i0_reciprocal879000000.0000
Solution quality estimate total_estimate0.6680
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary48.7
Skewness Skewness skewness0.149
Kurtosis Kurtosis kurtosis-0.495
Angular range angular_range— – 0.1950 −1
Current regularization parameter α current_alpha0.0001
Highest regularization parameter α highest_alpha153200000.0000
Real-space data points n_real_points40
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.903; Stabil: 1.000; Sysdev: 0.025; Positv: 1.000; Valcen: 0.982; Smooth: 0.914

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 15 domains

CATH v4.4 (15 domains)

Domain ID domain_id5entA01
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_id5entA02
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_id5entA04
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_id5entA05
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_id5entB01
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_id5entB02
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_id5entB04
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_id5entB05
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_id5entC01
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_id5entC02
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_id5entC04
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_id5entC05
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_id5entD00
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_id5entE00
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_id5entF00
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)