3puw

Crystal Structure of an outward-facing MBP-Maltose transporter complex bound to ADP-AlF4

Method: X-RAY DIFFRACTION Dmax: 167.1 Å Quality: REASONABLE

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

Maltose-binding periplasmic protein

Escherichia coli

UniProt P0AEX9

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Heteromer Protein × 5 其他Polymer 1 PDB declaration: pentameric(5) Consistent with protein copy count Chain E; UniProt 27–396 Fragment:unp residues 27-396 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) alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 10 UMQ UNDECYL-MALTOSIDE × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ALF TETRAFLUOROALUMINATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7.5;293 K;27 % PEG 400, 0.1 M HEPES, 10 mM magnesium chloride, 50 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.5 Resolution 2.30 Å R-free 0.255

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.

366 other PDB entries and 491 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MALE_ECOLI
Isoform
PDB entities 1
Chains and sequence ranges Author chain E; PDBConstruct 1–370; UniProt 27–396

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 Other combination Heteromer Protein × 5 其他Polymer 1 PDB declaration: pentameric(5) Consistent with protein copy count Chain F; UniProt 1–514 Not recorded Maltose-binding periplasmic protein × 1 (P0AEX9) Maltose transport system permease protein malG × 1 (P68183) Maltose/maltodextrin import ATP-binding protein MalK × 2 (P68187) alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 10 UMQ UNDECYL-MALTOSIDE × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ALF TETRAFLUOROALUMINATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7.5;293 K;27 % PEG 400, 0.1 M HEPES, 10 mM magnesium chloride, 50 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.5 Resolution 2.30 Å R-free 0.255

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 12 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MALF_ECOLI
Isoform
PDB entities 2
Chains and sequence ranges Author chain F; 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 Other combination Heteromer Protein × 5 其他Polymer 1 PDB declaration: pentameric(5) Consistent with protein copy count Chain G; UniProt 1–296 Not recorded Maltose-binding periplasmic protein × 1 (P0AEX9) Maltose transport system permease protein malF × 1 (P02916) Maltose/maltodextrin import ATP-binding protein MalK × 2 (P68187) alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 10 UMQ UNDECYL-MALTOSIDE × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ALF TETRAFLUOROALUMINATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7.5;293 K;27 % PEG 400, 0.1 M HEPES, 10 mM magnesium chloride, 50 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.5 Resolution 2.30 Å R-free 0.255

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 10 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MALG_ECOLI
Isoform
PDB entities 3
Chains and sequence ranges Author chain G; 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 Other combination Heteromer Protein × 5 其他Polymer 1 PDB declaration: pentameric(5) Consistent with protein copy count Chain A; UniProt 1–371 Chain B; UniProt 1–371 Not recorded Maltose-binding periplasmic protein × 1 (P0AEX9) Maltose transport system permease protein malF × 1 (P02916) Maltose transport system permease protein malG × 1 (P68183) alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 10 UMQ UNDECYL-MALTOSIDE × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ALF TETRAFLUOROALUMINATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7.5;293 K;27 % PEG 400, 0.1 M HEPES, 10 mM magnesium chloride, 50 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.5 Resolution 2.30 Å R-free 0.255

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 23 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MALK_ECOLI
Isoform
PDB entities 4
Chains and sequence ranges Author chain A; PDBConstruct 1–371; UniProt 1–371 Author chain B; PDBConstruct 1–371; UniProt 1–371

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 3puw

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3puw
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3puw
Deposition date deposition_date2010-12-06
Structure title titleCrystal Structure of an outward-facing MBP-Maltose transporter complex bound to ADP-AlF4
Keywords keywords;ATP Binding Cassette Nucleotide Binding Domain Substrate Binding Protein Transmembrane Domain, ABC Transporter importer ATPase, ATP binding Maltodextrin binding, transmembrane integral membrane, HYDROLASE-TRANSPORT PROTEIN complex ;; HYDROLASE/TRANSPORT PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier48.49
Radius of gyration Rg (electron density) rg_electron48.09
Forward intensity I(0) i0579057000.00
Molecular weight molecular_weight211200.0 kDa
Excluded volume excluded_volume269500 ų
Envelope volume envelope_volume363700 ų
Hydration-shell volume shell_volume65796 ų
Envelope diameter envelope_diameter170.6
Shell Rg shell_rg48.81
Envelope Rg envelope_rg48.02
Shape Rg shape_rg48.10
Total Rg total_rg48.05
Total atoms total_atoms14889
Residues n_residues1881
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 dmax167.1
Rg (real space) rg_real49.06
Rg uncertainty (real space) rg_real_error1.53
I(0) (real space) i0_real5.7910e+08
I(0) uncertainty (real space) i0_real_error1.0830e+07
Rg (reciprocal space) rg_reciprocal48.50
I(0) (reciprocal space) i0_reciprocal578600000.0000
Solution quality estimate total_estimate0.5616
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary41.8
Skewness Skewness skewness0.496
Kurtosis Kurtosis kurtosis-0.553
Angular range angular_range— – 0.1600 −1
Current regularization parameter α current_alpha0.0001
Highest regularization parameter α highest_alpha147300000.0000
Real-space data points n_real_points33
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.624; Stabil: 1.000; Sysdev: 0.013; Positv: 1.000; Valcen: 0.762; Smooth: 0.623

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (11)

7. Fold Classification (SCOP + CATH) 23 domains

SCOP 2.08 (10 domains)

Domain ID domain_idd3puwa1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
Superfamily Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
Family Family familyc.37.1.12 — ABC transporter ATPase domain-like
Domain ID domain_idd3puwa2
Class classb — All beta proteins
Fold Fold foldb.40 — OB-fold
Superfamily Superfamily superfamilyb.40.6 — MOP-like
Family Family familyb.40.6.3 — ABC-transporter additional domain
Domain ID domain_idd3puwa3
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd3puwb1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
Superfamily Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
Family Family familyc.37.1.12 — ABC transporter ATPase domain-like
Domain ID domain_idd3puwb2
Class classb — All beta proteins
Fold Fold foldb.40 — OB-fold
Superfamily Superfamily superfamilyb.40.6 — MOP-like
Family Family familyb.40.6.3 — ABC-transporter additional domain
Domain ID domain_idd3puwe1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.94 — Periplasmic binding protein-like II
Superfamily Superfamily superfamilyc.94.1 — Periplasmic binding protein-like II
Family Family familyc.94.1.1 — Phosphate binding protein-like
Domain ID domain_idd3puwe2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd3puwf1
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.70 — MalF N-terminal region-like
Superfamily Superfamily superfamilye.70.1 — MalF N-terminal region-like
Family Family familye.70.1.1 — MalF N-terminal region-like
Domain ID domain_idd3puwf2
Class classf — Membrane and cell surface proteins and peptides
Fold Fold foldf.58 — MetI-like
Superfamily Superfamily superfamilyf.58.1 — MetI-like
Family Family familyf.58.1.1 — MetI-like
Domain ID domain_idd3puwg_
Class classf — Membrane and cell surface proteins and peptides
Fold Fold foldf.58 — MetI-like
Superfamily Superfamily superfamilyf.58.1 — MetI-like
Family Family familyf.58.1.1 — MetI-like

CATH v4.4 (13 domains)

Domain ID domain_id3puwA01
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_id3puwA02
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_id3puwA03
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_id3puwB01
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_id3puwB02
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_id3puwB03
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_id3puwE01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology190 — D-Maltodextrin-Binding Protein; domain 2
Homologous superfamily homologous superfamily10 — Periplasmic binding protein-like II
Domain ID domain_id3puwE02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology190 — D-Maltodextrin-Binding Protein; domain 2
Homologous superfamily homologous superfamily10 — Periplasmic binding protein-like II
Domain ID domain_id3puwF01
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_id3puwF02
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_id3puwF03
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_id3puwF04
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology3720 — MetI-like fold
Homologous superfamily homologous superfamily10 — MetI-like
Domain ID domain_id3puwG01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology3720 — MetI-like fold
Homologous superfamily homologous superfamily10 — MetI-like

8. Citations (1)

9. Files and Curves (10)