4eaj

Co-crystal of AMPK core with AMP soaked with ATP

Method: X-RAY DIFFRACTION Dmax: 85.9 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 405–479 Chain A; UniProt 540–559 Not recorded ;5'-AMP-activated protein kinase subunit beta-2 ; × 1 (O43741) ;5'-AMP-activated protein kinase subunit gamma-1 ; × 1 (P80385) ATP ADENOSINE-5'-TRIPHOSPHATE × 2 AMP ADENOSINE MONOPHOSPHATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.26;298 K;MES pH 6.26, 16% IPP, 1% 1,4-butanediol, VAPOR DIFFUSION, HANGING DROP, temperature 298 K Resolution 2.61 Å R-free 0.258

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 6–80; UniProt 405–479 Author chain A; PDBConstruct 87–106; UniProt 540–559

;5'-AMP-activated protein kinase subunit beta-2 ;

Homo sapiens

UniProt O43741

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 189–272 Fragment:UNP residues 189-272 ;5'-AMP-activated protein kinase catalytic subunit alpha-1 ; × 1 (P54645) ;5'-AMP-activated protein kinase subunit gamma-1 ; × 1 (P80385) ATP ADENOSINE-5'-TRIPHOSPHATE × 2 AMP ADENOSINE MONOPHOSPHATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.26;298 K;MES pH 6.26, 16% IPP, 1% 1,4-butanediol, VAPOR DIFFUSION, HANGING DROP, temperature 298 K Resolution 2.61 Å R-free 0.258

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.

16 other PDB entries and 16 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name AAKB2_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 2–85; UniProt 189–272

;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-2 ; × 1 (O43741) ATP ADENOSINE-5'-TRIPHOSPHATE × 2 AMP ADENOSINE MONOPHOSPHATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.26;298 K;MES pH 6.26, 16% IPP, 1% 1,4-butanediol, VAPOR DIFFUSION, HANGING DROP, temperature 298 K Resolution 2.61 Å R-free 0.258

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 4eaj

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id4eaj
Deposition date deposition_date2012-03-22
Structure title titleCo-crystal of AMPK core with AMP soaked with ATP
Keywords keywordsAMPK, TRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier25.86
Radius of gyration Rg (electron density) rg_electron25.18
Forward intensity I(0) i041563800.00
Molecular weight molecular_weight51608.0 kDa
Excluded volume excluded_volume65402 ų
Envelope volume envelope_volume79196 ų
Hydration-shell volume shell_volume26934 ų
Envelope diameter envelope_diameter89.8
Shell Rg shell_rg31.87
Envelope Rg envelope_rg25.31
Shape Rg shape_rg25.19
Total Rg total_rg25.93
Total atoms total_atoms3629
Residues n_residues440
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 dmax85.9
Rg (real space) rg_real25.93
Rg uncertainty (real space) rg_real_error0.67
I(0) (real space) i0_real4.1560e+07
I(0) uncertainty (real space) i0_real_error6.2280e+05
Rg (reciprocal space) rg_reciprocal25.91
I(0) (reciprocal space) i0_reciprocal41560000.0000
Solution quality estimate total_estimate0.8813
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary26.8
Skewness Skewness skewness0.441
Kurtosis Kurtosis kurtosis-0.288
Angular range angular_range— – 0.3050 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha13230000.0000
Real-space data points n_real_points62
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.847; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.952; Smooth: 0.960

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id4eajA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology310 — TATA-Binding Protein
Homologous superfamily homologous superfamily80 — Kinase associated domain 1, KA1

8. Citations (1)

9. Files and Curves (10)