2v9j

Crystal structure of the regulatory fragment of mammalian AMPK in complexes with Mg.ATP-AMP

Method: X-RAY DIFFRACTION Dmax: 114.5 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 396–548 Fragment:RESIDUES 396-548 ;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 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions Resolution 2.53 Å R-free 0.266

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 5–157; UniProt 396–548

;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 187–272 Fragment:RESIDUES 187-272 ;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 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions Resolution 2.53 Å R-free 0.266

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 2–87; UniProt 187–272

;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 E; 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 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions Resolution 2.53 Å R-free 0.266

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 E; 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 2v9j

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2v9j
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2v9j
Deposition date deposition_date2007-08-23
Structure title titleCrystal structure of the regulatory fragment of mammalian AMPK in complexes with Mg.ATP-AMP
Keywords keywords;ATP-BINDING, POLYMORPHISM, METAL-BINDING, SERINE/THREONINE-PROTEIN KINASE, KINASE, MAGNESIUM, CBS DOMAIN, TRANSFERASE, STEROL BIOSYNTHESIS, STEROID BIOSYNTHESIS, FATTY ACID BIOSYNTHESIS, CHOLESTEROL BIOSYNTHESIS, LIPID SYNTHESIS, PHOSPHORYLATION, NUCLEOTIDE-BINDING ;; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier27.11
Radius of gyration Rg (electron density) rg_electron26.56
Forward intensity I(0) i050570500.00
Molecular weight molecular_weight56506.0 kDa
Excluded volume excluded_volume71342 ų
Envelope volume envelope_volume90774 ų
Hydration-shell volume shell_volume29439 ų
Envelope diameter envelope_diameter120.9
Shell Rg shell_rg32.63
Envelope Rg envelope_rg27.77
Shape Rg shape_rg26.58
Total Rg total_rg27.18
Total atoms total_atoms3972
Residues n_residues479
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 dmax114.5
Rg (real space) rg_real27.39
Rg uncertainty (real space) rg_real_error1.59
I(0) (real space) i0_real5.0570e+07
I(0) uncertainty (real space) i0_real_error9.8190e+05
Rg (reciprocal space) rg_reciprocal27.30
I(0) (reciprocal space) i0_reciprocal50570000.0000
Solution quality estimate total_estimate0.7052
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary27.2
Skewness Skewness skewness0.735
Kurtosis Kurtosis kurtosis0.688
Angular range angular_range— – 0.2950 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha25200000.0000
Real-space data points n_real_points60
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.312; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.273; Smooth: 0.953

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

7. Fold Classification (SCOP + CATH) 5 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd2v9ja_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.129 — TBP-like
Superfamily Superfamily superfamilyd.129.6 — KA1-like
Family Family familyd.129.6.2 — Ssp2 C-terminal domain-like
Domain ID domain_idd2v9jb_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.353 — AMPKBI-like
Superfamily Superfamily superfamilyd.353.1 — AMPKBI-like
Family Family familyd.353.1.1 — AMPKBI-like
Domain ID domain_idd2v9je1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.37 — CBS-domain pair
Superfamily Superfamily superfamilyd.37.1 — CBS-domain pair
Family Family familyd.37.1.1 — CBS-domain pair
Domain ID domain_idd2v9je2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.37 — CBS-domain pair
Superfamily Superfamily superfamilyd.37.1 — CBS-domain pair
Family Family familyd.37.1.1 — CBS-domain pair

CATH v4.4 (1 domains)

Domain ID domain_id2v9jA01
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)