6e4t

Structure of AMPK bound to activator

Method: X-RAY DIFFRACTION Dmax: 122.3 Å Quality: GOOD

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

;5'-AMP-activated protein kinase catalytic subunit alpha-1 ;

Rattus norvegicus

UniProt P54645

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 × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 11–480 Chain A; UniProt 536–559 Non-standard monomer:Yes (specific site not provided by mmCIF) ;5'-AMP-activated protein kinase subunit beta-1 ; × 1 (P80386) ;5'-AMP-activated protein kinase subunit gamma-1 ; × 1 (P80385) HTV 1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid × 1 STU STAUROSPORINE × 1 CL CHLORIDE ION × 5 AMP ADENOSINE MONOPHOSPHATE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;750 MM AMMONIUM SULFATE, 500 MM LITHIUM SULFATE, 100 MM TRISODIUM CITRATE, 1% ETHYLENE GLYCOL Resolution 3.40 Å R-free 0.245
2 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain A; UniProt 11–480 Chain A; UniProt 536–559 Non-standard monomer:Yes (specific site not provided by mmCIF) ;5'-AMP-activated protein kinase subunit beta-1 ; × 2 (P80386) ;5'-AMP-activated protein kinase subunit gamma-1 ; × 2 (P80385) HTV 1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid × 2 STU STAUROSPORINE × 2 CL CHLORIDE ION × 10 AMP ADENOSINE MONOPHOSPHATE × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;750 MM AMMONIUM SULFATE, 500 MM LITHIUM SULFATE, 100 MM TRISODIUM CITRATE, 1% ETHYLENE GLYCOL Resolution 3.40 Å R-free 0.245

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.

20 other PDB entries and 29 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name AAPK1_RAT
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 2–471; UniProt 11–480 Author chain A; PDBConstruct 480–503; UniProt 536–559

;5'-AMP-activated protein kinase subunit beta-1 ;

Rattus norvegicus

UniProt P80386

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 × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain B; UniProt 68–270 Non-standard monomer:Yes (specific site not provided by mmCIF) ;5'-AMP-activated protein kinase catalytic subunit alpha-1 ; × 1 (P54645) ;5'-AMP-activated protein kinase subunit gamma-1 ; × 1 (P80385) HTV 1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid × 1 STU STAUROSPORINE × 1 CL CHLORIDE ION × 5 AMP ADENOSINE MONOPHOSPHATE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;750 MM AMMONIUM SULFATE, 500 MM LITHIUM SULFATE, 100 MM TRISODIUM CITRATE, 1% ETHYLENE GLYCOL Resolution 3.40 Å R-free 0.245
2 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain B; UniProt 68–270 Non-standard monomer:Yes (specific site not provided by mmCIF) ;5'-AMP-activated protein kinase catalytic subunit alpha-1 ; × 2 (P54645) ;5'-AMP-activated protein kinase subunit gamma-1 ; × 2 (P80385) HTV 1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid × 2 STU STAUROSPORINE × 2 CL CHLORIDE ION × 10 AMP ADENOSINE MONOPHOSPHATE × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;750 MM AMMONIUM SULFATE, 500 MM LITHIUM SULFATE, 100 MM TRISODIUM CITRATE, 1% ETHYLENE GLYCOL Resolution 3.40 Å R-free 0.245

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.

14 other PDB entries and 32 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name AAKB1_RAT
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 2–204; UniProt 68–270

;5'-AMP-activated protein kinase subunit gamma-1 ;

Rattus norvegicus

UniProt P80385

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 × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain C; UniProt 1–330 Not recorded ;5'-AMP-activated protein kinase catalytic subunit alpha-1 ; × 1 (P54645) ;5'-AMP-activated protein kinase subunit beta-1 ; × 1 (P80386) HTV 1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid × 1 STU STAUROSPORINE × 1 CL CHLORIDE ION × 5 AMP ADENOSINE MONOPHOSPHATE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;750 MM AMMONIUM SULFATE, 500 MM LITHIUM SULFATE, 100 MM TRISODIUM CITRATE, 1% ETHYLENE GLYCOL Resolution 3.40 Å R-free 0.245
2 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain C; UniProt 1–330 Not recorded ;5'-AMP-activated protein kinase catalytic subunit alpha-1 ; × 2 (P54645) ;5'-AMP-activated protein kinase subunit beta-1 ; × 2 (P80386) HTV 1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid × 2 STU STAUROSPORINE × 2 CL CHLORIDE ION × 10 AMP ADENOSINE MONOPHOSPHATE × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;750 MM AMMONIUM SULFATE, 500 MM LITHIUM SULFATE, 100 MM TRISODIUM CITRATE, 1% ETHYLENE GLYCOL Resolution 3.40 Å R-free 0.245

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.

20 other PDB entries and 28 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name AAKG1_RAT
Isoform
PDB entities 3
Chains and sequence ranges Author chain C; PDBConstruct 1–330; UniProt 1–330

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 6e4t

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6e4t
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6e4t
Deposition date deposition_date2018-07-18
Structure title titleStructure of AMPK bound to activator
Keywords keywordsKinase, AMPK, activator, allostery, TRANSFERASE-ACTIVATOR complex, TRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier35.19
Radius of gyration Rg (electron density) rg_electron35.00
Forward intensity I(0) i0121976000.00
Molecular weight molecular_weight90447.0 kDa
Excluded volume excluded_volume113920 ų
Envelope volume envelope_volume146220 ų
Hydration-shell volume shell_volume36206 ų
Envelope diameter envelope_diameter127.3
Shell Rg shell_rg39.48
Envelope Rg envelope_rg34.86
Shape Rg shape_rg35.03
Total Rg total_rg35.24
Total atoms total_atoms6369
Residues n_residues800
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 dmax122.3
Rg (real space) rg_real35.35
Rg uncertainty (real space) rg_real_error1.00
I(0) (real space) i0_real1.2200e+08
I(0) uncertainty (real space) i0_real_error2.0650e+06
Rg (reciprocal space) rg_reciprocal35.26
I(0) (reciprocal space) i0_reciprocal122000000.0000
Solution quality estimate total_estimate0.8510
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks0
Primary peak position r_peak_primary
Skewness Skewness skewness0.417
Kurtosis Kurtosis kurtosis-0.336
Angular range angular_range— – 0.2250 −1
Current regularization parameter α current_alpha0.0001
Highest regularization parameter α highest_alpha42020000.0000
Real-space data points n_real_points46
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.800; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.846; Smooth: 0.813

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (9)

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id6e4tA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id6e4tA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1

8. Citations (1)

9. Files and Curves (10)