5kq5

AMPK bound to allosteric activator

Method: X-RAY DIFFRACTION Dmax: 121.7 Å Quality: REASONABLE

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 11–559 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) STU STAUROSPORINE × 1 6VT 6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{H}-indole-3-carboxylic acid × 1 CL CHLORIDE ION × 4 AMP ADENOSINE MONOPHOSPHATE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;295 K;~750 mM Ammonium Acetate, 500 mM Lithium Sulfate, 100 mM trisodium citrate, 1% ethylene glycol Resolution 3.41 Å R-free 0.259

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 30 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 2–503; UniProt 11–559

;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 Fragment:residues 68-270 Mutation:S108D ;5'-AMP-activated protein kinase catalytic subunit alpha-1 ; × 1 (P54645) ;5'-AMP-activated protein kinase subunit gamma-1 ; × 1 (P80385) STU STAUROSPORINE × 1 6VT 6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{H}-indole-3-carboxylic acid × 1 CL CHLORIDE ION × 4 AMP ADENOSINE MONOPHOSPHATE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;295 K;~750 mM Ammonium Acetate, 500 mM Lithium Sulfate, 100 mM trisodium citrate, 1% ethylene glycol Resolution 3.41 Å R-free 0.259

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 33 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) STU STAUROSPORINE × 1 6VT 6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{H}-indole-3-carboxylic acid × 1 CL CHLORIDE ION × 4 AMP ADENOSINE MONOPHOSPHATE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;295 K;~750 mM Ammonium Acetate, 500 mM Lithium Sulfate, 100 mM trisodium citrate, 1% ethylene glycol Resolution 3.41 Å R-free 0.259

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 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 5kq5

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5kq5
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5kq5
Deposition date deposition_date2016-07-05
Structure title titleAMPK bound to allosteric activator
Keywords keywordsKinase Allosteric Activator, TRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier35.14
Radius of gyration Rg (electron density) rg_electron34.92
Forward intensity I(0) i0116420000.00
Molecular weight molecular_weight88372.0 kDa
Excluded volume excluded_volume111290 ų
Envelope volume envelope_volume144930 ų
Hydration-shell volume shell_volume36020 ų
Envelope diameter envelope_diameter127.3
Shell Rg shell_rg39.46
Envelope Rg envelope_rg34.70
Shape Rg shape_rg34.96
Total Rg total_rg35.12
Total atoms total_atoms6230
Residues n_residues803
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 dmax121.7
Rg (real space) rg_real35.30
Rg uncertainty (real space) rg_real_error1.10
I(0) (real space) i0_real1.1640e+08
I(0) uncertainty (real space) i0_real_error2.0730e+06
Rg (reciprocal space) rg_reciprocal35.20
I(0) (reciprocal space) i0_reciprocal116400000.0000
Solution quality estimate total_estimate0.6608
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks0
Primary peak position r_peak_primary
Skewness Skewness skewness0.416
Kurtosis Kurtosis kurtosis-0.337
Angular range angular_range— – 0.2250 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha36890000.0000
Real-space data points n_real_points46
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.806; Stabil: 1.000; Sysdev: 0.186; Positv: 1.000; Valcen: 0.849; Smooth: 0.759

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (9)

7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id5kq5A01
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_id5kq5A02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
Domain ID domain_id5kq5B01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5kq5B02
Class class6 — Special
Architecture architecture20 — Other non-globular
Topology topology250 — Double Stranded RNA Binding Domain
Homologous superfamily homologous superfamily60

8. Citations (1)

9. Files and Curves (10)