4jbw

Crystal structure of E. coli maltose transporter MalFGK2 in complex with its regulatory protein EIIAglc

Method: X-RAY DIFFRACTION Dmax: 203.2 Å Quality: GOOD

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

Maltose transport system permease protein MalF

Escherichia coli

UniProt P02916

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 F; UniProt 1–514 Not recorded Maltose transport system permease protein MalG × 1 (P68183) Maltose/maltodextrin import ATP-binding protein MalK × 2 (P68187) Glucose-specific phosphotransferase enzyme IIA component × 2 (P69783) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 3.91 Å R-free 0.281
2 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain H; UniProt 1–514 Not recorded Maltose transport system permease protein MalG × 1 (P68183) Maltose/maltodextrin import ATP-binding protein MalK × 2 (P68187) Glucose-specific phosphotransferase enzyme IIA component × 2 (P69783) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 3.91 Å R-free 0.281

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.

10 other PDB entries and 11 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MALF_ECOLI
Isoform
PDB entities 1
Chains and sequence ranges Author chain F; PDBConstruct 1–514; UniProt 1–514 Author chain H; PDBConstruct 1–514; UniProt 1–514

Maltose transport system permease protein MalG

Escherichia coli

UniProt P68183

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 G; UniProt 1–296 Not recorded Maltose transport system permease protein MalF × 1 (P02916) Maltose/maltodextrin import ATP-binding protein MalK × 2 (P68187) Glucose-specific phosphotransferase enzyme IIA component × 2 (P69783) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 3.91 Å R-free 0.281
2 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain I; UniProt 1–296 Not recorded Maltose transport system permease protein MalF × 1 (P02916) Maltose/maltodextrin import ATP-binding protein MalK × 2 (P68187) Glucose-specific phosphotransferase enzyme IIA component × 2 (P69783) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 3.91 Å R-free 0.281

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.

8 other PDB entries and 9 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MALG_ECOLI
Isoform
PDB entities 2
Chains and sequence ranges Author chain G; PDBConstruct 1–296; UniProt 1–296 Author chain I; PDBConstruct 1–296; UniProt 1–296

Maltose/maltodextrin import ATP-binding protein MalK

Escherichia coli

UniProt P68187

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 1–371 Chain B; UniProt 1–371 Not recorded Maltose transport system permease protein MalF × 1 (P02916) Maltose transport system permease protein MalG × 1 (P68183) Glucose-specific phosphotransferase enzyme IIA component × 2 (P69783) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 3.91 Å R-free 0.281
2 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain C; UniProt 1–371 Chain D; UniProt 1–371 Not recorded Maltose transport system permease protein MalF × 1 (P02916) Maltose transport system permease protein MalG × 1 (P68183) Glucose-specific phosphotransferase enzyme IIA component × 2 (P69783) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 3.91 Å R-free 0.281

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.

13 other PDB entries and 22 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MALK_ECOLI
Isoform
PDB entities 3
Chains and sequence ranges Author chain A; PDBConstruct 1–371; UniProt 1–371 Author chain B; PDBConstruct 1–371; UniProt 1–371 Author chain C; PDBConstruct 1–371; UniProt 1–371 Author chain D; PDBConstruct 1–371; UniProt 1–371

Glucose-specific phosphotransferase enzyme IIA component

Escherichia coli

UniProt P69783

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 M; UniProt 1–169 Chain N; UniProt 1–169 Not recorded Maltose transport system permease protein MalF × 1 (P02916) Maltose transport system permease protein MalG × 1 (P68183) Maltose/maltodextrin import ATP-binding protein MalK × 2 (P68187) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 3.91 Å R-free 0.281
2 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain O; UniProt 1–169 Chain P; UniProt 1–169 Not recorded Maltose transport system permease protein MalF × 1 (P02916) Maltose transport system permease protein MalG × 1 (P68183) Maltose/maltodextrin import ATP-binding protein MalK × 2 (P68187) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 3.91 Å R-free 0.281

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.

11 other PDB entries and 15 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PTGA_ECOLI
Isoform
PDB entities 4
Chains and sequence ranges Author chain M; PDBConstruct 4–172; UniProt 1–169 Author chain N; PDBConstruct 4–172; UniProt 1–169 Author chain O; PDBConstruct 4–172; UniProt 1–169 Author chain P; PDBConstruct 4–172; UniProt 1–169

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 4jbw

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4jbw
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4jbw
Deposition date deposition_date2013-02-20
Structure title titleCrystal structure of E. coli maltose transporter MalFGK2 in complex with its regulatory protein EIIAglc
Keywords keywordsABC transporter ATPase inducer exclusion carbon catabolite repression, 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_guinier61.19
Radius of gyration Rg (electron density) rg_electron61.10
Forward intensity I(0) i01989260000.00
Molecular weight molecular_weight396660.0 kDa
Excluded volume excluded_volume505670 ų
Envelope volume envelope_volume765620 ų
Hydration-shell volume shell_volume105810 ų
Envelope diameter envelope_diameter220.6
Shell Rg shell_rg60.80
Envelope Rg envelope_rg61.63
Shape Rg shape_rg61.16
Total Rg total_rg60.86
Total atoms total_atoms27958
Residues n_residues3616
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 dmax203.2
Rg (real space) rg_real61.54
Rg uncertainty (real space) rg_real_error2.03
I(0) (real space) i0_real1.9890e+09
I(0) uncertainty (real space) i0_real_error4.2970e+07
Rg (reciprocal space) rg_reciprocal60.86
I(0) (reciprocal space) i0_reciprocal1987000000.0000
Solution quality estimate total_estimate0.8617
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary62.5
Skewness Skewness skewness0.482
Kurtosis Kurtosis kurtosis-0.166
Angular range angular_range— – 0.1300 −1
Current regularization parameter α current_alpha0.0001
Highest regularization parameter α highest_alpha166800000.0000
Real-space data points n_real_points27
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.891; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.527

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 25 domains

CATH v4.4 (25 domains)

Domain ID domain_id4jbwA01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
Domain ID domain_id4jbwA02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily100 — RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain
Domain ID domain_id4jbwA03
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily140 — Nucleic acid-binding proteins
Domain ID domain_id4jbwB01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
Domain ID domain_id4jbwB02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily100 — RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain
Domain ID domain_id4jbwB03
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily140 — Nucleic acid-binding proteins
Domain ID domain_id4jbwC01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
Domain ID domain_id4jbwC02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily100 — RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain
Domain ID domain_id4jbwC03
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily140 — Nucleic acid-binding proteins
Domain ID domain_id4jbwD01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
Domain ID domain_id4jbwD02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily100 — RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain
Domain ID domain_id4jbwD03
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily140 — Nucleic acid-binding proteins
Domain ID domain_id4jbwF01
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
Homologous superfamily homologous superfamily370 — MalF N-terminal region-like
Domain ID domain_id4jbwF02
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology650 — MalF N-terminal region-like
Homologous superfamily homologous superfamily10 — MalF N-terminal region-like
Domain ID domain_id4jbwF03
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology430 — Periplasmic binding protein-like II
Homologous superfamily homologous superfamily10 — D-maltodextrin-binding protein, MBP
Domain ID domain_id4jbwF04
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology3720 — MetI-like fold
Homologous superfamily homologous superfamily10 — MetI-like
Domain ID domain_id4jbwG01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology3720 — MetI-like fold
Homologous superfamily homologous superfamily10 — MetI-like
Domain ID domain_id4jbwH01
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
Homologous superfamily homologous superfamily370 — MalF N-terminal region-like
Domain ID domain_id4jbwH02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology430 — Periplasmic binding protein-like II
Homologous superfamily homologous superfamily10 — D-maltodextrin-binding protein, MBP
Domain ID domain_id4jbwH03
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology3720 — MetI-like fold
Homologous superfamily homologous superfamily10 — MetI-like
Domain ID domain_id4jbwI01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology3720 — MetI-like fold
Homologous superfamily homologous superfamily10 — MetI-like
Domain ID domain_id4jbwM00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology70 — Glucose Permease (Domain IIA)
Homologous superfamily homologous superfamily10 — Glucose Permease (Domain IIA)
Domain ID domain_id4jbwN00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology70 — Glucose Permease (Domain IIA)
Homologous superfamily homologous superfamily10 — Glucose Permease (Domain IIA)
Domain ID domain_id4jbwO00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology70 — Glucose Permease (Domain IIA)
Homologous superfamily homologous superfamily10 — Glucose Permease (Domain IIA)
Domain ID domain_id4jbwP00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology70 — Glucose Permease (Domain IIA)
Homologous superfamily homologous superfamily10 — Glucose Permease (Domain IIA)

8. Citations (1)

9. Files and Curves (10)