3to6

Crystal structure of yeast Esa1 HAT domain complexed with H4K16CoA bisubstrate inhibitor

Method: X-RAY DIFFRACTION Dmax: 85.4 Å Quality: GOOD

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

Histone acetyltransferase ESA1

Saccharomyces cerevisiae

UniProt Q08649

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 × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain A; UniProt 160–435 Fragment:UNP residues 160-435 Non-standard monomer:Yes (specific site not provided by mmCIF) Histone H4 × 3 (P02309) CMC CARBOXYMETHYL COENZYME *A × 3 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;0.1 M sodium cacodylate, 1.6 M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K Resolution 2.10 Å R-free 0.232

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 31 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ESA1_YEAST
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–276; UniProt 160–435

Histone H4

OrganismNot specified

UniProt P02309

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 × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain B; UniProt 12–23 Fragment:UNP residues 12-23 Histone acetyltransferase ESA1 × 3 (Q08649) CMC CARBOXYMETHYL COENZYME *A × 3 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;0.1 M sodium cacodylate, 1.6 M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K Resolution 2.10 Å R-free 0.232

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.

43 other PDB entries and 63 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name H4_YEAST
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–12; UniProt 12–23

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 3to6

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3to6
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3to6
Deposition date deposition_date2011-09-04
Structure title titleCrystal structure of yeast Esa1 HAT domain complexed with H4K16CoA bisubstrate inhibitor
Keywords keywordsacetyltransferase, autoacetylation, TRANSFERASE-TRANSFERASE INHIBITOR complex; TRANSFERASE/TRANSFERASE INHIBITOR
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier21.82
Radius of gyration Rg (electron density) rg_electron21.09
Forward intensity I(0) i019515800.00
Molecular weight molecular_weight34031.0 kDa
Excluded volume excluded_volume42847 ų
Envelope volume envelope_volume51406 ų
Hydration-shell volume shell_volume21089 ų
Envelope diameter envelope_diameter86.4
Shell Rg shell_rg27.27
Envelope Rg envelope_rg21.75
Shape Rg shape_rg21.08
Total Rg total_rg21.95
Total atoms total_atoms2397
Residues n_residues276
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 dmax85.4
Rg (real space) rg_real21.91
Rg uncertainty (real space) rg_real_error0.78
I(0) (real space) i0_real1.9520e+07
I(0) uncertainty (real space) i0_real_error2.6720e+05
Rg (reciprocal space) rg_reciprocal21.90
I(0) (reciprocal space) i0_reciprocal19520000.0000
Solution quality estimate total_estimate0.7687
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary25.5
Skewness Skewness skewness0.569
Kurtosis Kurtosis kurtosis0.201
Angular range angular_range— – 0.3650 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha5481000.0000
Real-space data points n_real_points68
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.437; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.679; Smooth: 0.999

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd3to6a_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.108 — Acyl-CoA N-acyltransferases (Nat)
Superfamily Superfamily superfamilyd.108.1 — Acyl-CoA N-acyltransferases (Nat)
Family Family familyd.108.1.1 — N-acetyl transferase, NAT

CATH v4.4 (3 domains)

Domain ID domain_id3to6A01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
Homologous superfamily homologous superfamily60 — N-acetyl transferase-like
Domain ID domain_id3to6A02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology630 — Aminopeptidase
Homologous superfamily homologous superfamily30 — Gcn5-related N-acetyltransferase (GNAT)
Domain ID domain_id3to6A03
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology10 — Arc Repressor Mutant, subunit A
Homologous superfamily homologous superfamily10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain

8. Citations (1)

9. Files and Curves (10)