3wtw

Crystal structure of the complex comprised of ETS1(K167A), RUNX1, CBFBETA, and the tcralpha gene enhancer DNA

Method: X-RAY DIFFRACTION Dmax: 119.3 Å Quality: GOOD

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

Runt-related transcription factor 1

Mus musculus

UniProt Q03347

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–DNA Heteromer Protein × 3 DNA 2 PDB declaration: pentameric(5) Consistent with all polymer counts Chain A; UniProt 60–263 Fragment:UNP RESIDUES 60-263 Mutation:L94K, K167A Core-binding factor subunit beta × 1 (Q08024) Protein C-ets-1 × 1 (P14921) ;DNA (5'-D(*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-3') ; × 1 ;DNA (5'-D(*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3') ; × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6;298 K;12% ISOPROPANOL, 0.02M MAGNESIUM CHLORIDE, 0.05M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K Resolution 2.90 Å R-free 0.264
2 Protein–DNA Heteromer Protein × 3 DNA 2 PDB declaration: pentameric(5) Consistent with all polymer counts Chain F; UniProt 60–263 Fragment:UNP RESIDUES 60-263 Mutation:L94K, K167A Core-binding factor subunit beta × 1 (Q08024) Protein C-ets-1 × 1 (P14921) ;DNA (5'-D(*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-3') ; × 1 ;DNA (5'-D(*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3') ; × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6;298 K;12% ISOPROPANOL, 0.02M MAGNESIUM CHLORIDE, 0.05M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K Resolution 2.90 Å R-free 0.264

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.

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

View Construct and Data Evidence
UniProt name RUNX1_MOUSE
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–204; UniProt 60–263 Author chain F; PDBConstruct 1–204; UniProt 60–263

Core-binding factor subunit beta

Mus musculus

UniProt Q08024

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–DNA Heteromer Protein × 3 DNA 2 PDB declaration: pentameric(5) Consistent with all polymer counts Chain B; UniProt 1–142 Fragment:UNP RESIDUES 1-142 Runt-related transcription factor 1 × 1 (Q03347) Protein C-ets-1 × 1 (P14921) ;DNA (5'-D(*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-3') ; × 1 ;DNA (5'-D(*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3') ; × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6;298 K;12% ISOPROPANOL, 0.02M MAGNESIUM CHLORIDE, 0.05M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K Resolution 2.90 Å R-free 0.264
2 Protein–DNA Heteromer Protein × 3 DNA 2 PDB declaration: pentameric(5) Consistent with all polymer counts Chain G; UniProt 1–142 Fragment:UNP RESIDUES 1-142 Runt-related transcription factor 1 × 1 (Q03347) Protein C-ets-1 × 1 (P14921) ;DNA (5'-D(*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-3') ; × 1 ;DNA (5'-D(*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3') ; × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6;298 K;12% ISOPROPANOL, 0.02M MAGNESIUM CHLORIDE, 0.05M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K Resolution 2.90 Å R-free 0.264

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.

9 other PDB entries and 15 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PEBB_MOUSE
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–142; UniProt 1–142 Author chain G; PDBConstruct 1–142; UniProt 1–142

Protein C-ets-1

Homo sapiens

UniProt P14921

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–DNA Heteromer Protein × 3 DNA 2 PDB declaration: pentameric(5) Consistent with all polymer counts Chain C; UniProt 276–441 Fragment:UNP RESIDUES 276-441 Runt-related transcription factor 1 × 1 (Q03347) Core-binding factor subunit beta × 1 (Q08024) ;DNA (5'-D(*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-3') ; × 1 ;DNA (5'-D(*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3') ; × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6;298 K;12% ISOPROPANOL, 0.02M MAGNESIUM CHLORIDE, 0.05M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K Resolution 2.90 Å R-free 0.264
2 Protein–DNA Heteromer Protein × 3 DNA 2 PDB declaration: pentameric(5) Consistent with all polymer counts Chain H; UniProt 276–441 Fragment:UNP RESIDUES 276-441 Runt-related transcription factor 1 × 1 (Q03347) Core-binding factor subunit beta × 1 (Q08024) ;DNA (5'-D(*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-3') ; × 1 ;DNA (5'-D(*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3') ; × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6;298 K;12% ISOPROPANOL, 0.02M MAGNESIUM CHLORIDE, 0.05M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K Resolution 2.90 Å R-free 0.264

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 27 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ETS1_HUMAN
Isoform
PDB entities 3
Chains and sequence ranges Author chain C; PDBConstruct 1–166; UniProt 276–441 Author chain H; PDBConstruct 1–166; UniProt 276–441

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 3wtw

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id3wtw
Deposition date deposition_date2014-04-21
Structure title titleCrystal structure of the complex comprised of ETS1(K167A), RUNX1, CBFBETA, and the tcralpha gene enhancer DNA
Keywords keywords;PROTEIN-DNA COMPLEX, TRANSCRIPTION, DNA-BINDING, METHYLATION, NUCLEUS, PHOSPHOPROTEIN, TRANSCRIPTION REGULATION, ISOPEPTIDE BOND, PROTO-ONCOGENE, TRANSCRIPTION-DNA COMPLEX ;; TRANSCRIPTION/DNA
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier37.06
Radius of gyration Rg (electron density) rg_electron37.39
Forward intensity I(0) i0195207000.00
Molecular weight molecular_weight100410.0 kDa
Excluded volume excluded_volume120310 ų
Envelope volume envelope_volume169000 ų
Hydration-shell volume shell_volume38736 ų
Envelope diameter envelope_diameter121.6
Shell Rg shell_rg42.28
Envelope Rg envelope_rg36.35
Shape Rg shape_rg37.41
Total Rg total_rg37.63
Total atoms total_atoms7002
Residues n_residues775
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 dmax119.3
Rg (real space) rg_real37.07
Rg uncertainty (real space) rg_real_error1.01
I(0) (real space) i0_real1.9520e+08
I(0) uncertainty (real space) i0_real_error3.3410e+06
Rg (reciprocal space) rg_reciprocal37.07
I(0) (reciprocal space) i0_reciprocal195200000.0000
Solution quality estimate total_estimate0.8904
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary47.2
Skewness Skewness skewness0.217
Kurtosis Kurtosis kurtosis-0.628
Angular range angular_range— – 0.2150 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha11030000.0000
Real-space data points n_real_points44
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.955; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.942; Smooth: 0.762

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 11 domains

SCOP 2.08 (5 domains)

Domain ID domain_idd3wtwa_
Class classb — All beta proteins
Fold Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
Superfamily Superfamily superfamilyb.2.5 — p53-like transcription factors
Family Family familyb.2.5.6 — RUNT domain
Domain ID domain_idd3wtwb_
Class classb — All beta proteins
Fold Fold foldb.54 — Core binding factor beta, CBF
Superfamily Superfamily superfamilyb.54.1 — Core binding factor beta, CBF
Family Family familyb.54.1.1 — Core binding factor beta, CBF
Domain ID domain_idd3wtwc_
Class classa — All alpha proteins
Fold Fold folda.4 — DNA/RNA-binding 3-helical bundle
Superfamily Superfamily superfamilya.4.5 — 'Winged helix' DNA-binding domain
Family Family familya.4.5.21 — ets domain
Domain ID domain_idd3wtwf_
Class classb — All beta proteins
Fold Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
Superfamily Superfamily superfamilyb.2.5 — p53-like transcription factors
Family Family familyb.2.5.6 — RUNT domain
Domain ID domain_idd3wtwg_
Class classb — All beta proteins
Fold Fold foldb.54 — Core binding factor beta, CBF
Superfamily Superfamily superfamilyb.54.1 — Core binding factor beta, CBF
Family Family familyb.54.1.1 — Core binding factor beta, CBF

CATH v4.4 (6 domains)

Domain ID domain_id3wtwA00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily720
Domain ID domain_id3wtwB00
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology250 — Polyomavirus Enhancer Binding Protein 2; Chain: A;
Homologous superfamily homologous superfamily10 — Core binding factor, beta subunit
Domain ID domain_id3wtwC00
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
Domain ID domain_id3wtwF00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily720
Domain ID domain_id3wtwG00
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology250 — Polyomavirus Enhancer Binding Protein 2; Chain: A;
Homologous superfamily homologous superfamily10 — Core binding factor, beta subunit
Domain ID domain_id3wtwH00
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)