2yyn

Crystal structure of human bromodomain protein

Method: X-RAY DIFFRACTION Dmax: 77.5 Å Quality: EXCELLENT

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

Transcription intermediary factor 1-alpha

Homo sapiens

UniProt O15164

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 891–1012 Chain B; UniProt 891–1012 Fragment:bromo domain No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7.4;293 K;0.2M ammonium acetate, 0.1M HEPES, 25% PEG 3350, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K Resolution 2.50 Å R-free 0.285
2 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain C; UniProt 891–1012 Chain D; UniProt 891–1012 Fragment:bromo domain No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7.4;293 K;0.2M ammonium acetate, 0.1M HEPES, 25% PEG 3350, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K Resolution 2.50 Å R-free 0.285
3 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 891–1012 Chain B; UniProt 891–1012 Fragment:bromo domain No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7.4;293 K;0.2M ammonium acetate, 0.1M HEPES, 25% PEG 3350, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K Resolution 2.50 Å R-free 0.285
4 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain C; UniProt 891–1012 Chain D; UniProt 891–1012 Fragment:bromo domain No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7.4;293 K;0.2M ammonium acetate, 0.1M HEPES, 25% PEG 3350, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K Resolution 2.50 Å R-free 0.285

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.

21 other PDB entries and 44 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TIF1A_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 8–129; UniProt 891–1012 Author chain B; PDBConstruct 8–129; UniProt 891–1012 Author chain C; PDBConstruct 8–129; UniProt 891–1012 Author chain D; PDBConstruct 8–129; UniProt 891–1012

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 2yyn

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id2yyn
Deposition date deposition_date2007-04-30
Structure title titleCrystal structure of human bromodomain protein
Keywords keywords;bromo domain, TRANSCRIPTION, Structural Genomics, NPPSFA, National Project on Protein Structural and Functional Analyses, RIKEN Structural Genomics/Proteomics Initiative, RSGI ;; TRANSCRIPTION
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier25.11
Radius of gyration Rg (electron density) rg_electron24.08
Forward intensity I(0) i044507000.00
Molecular weight molecular_weight53903.0 kDa
Excluded volume excluded_volume68522 ų
Envelope volume envelope_volume86180 ų
Hydration-shell volume shell_volume29540 ų
Envelope diameter envelope_diameter80.3
Shell Rg shell_rg31.38
Envelope Rg envelope_rg24.27
Shape Rg shape_rg24.07
Total Rg total_rg25.04
Total atoms total_atoms3797
Residues n_residues453
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 dmax77.5
Rg (real space) rg_real24.97
Rg uncertainty (real space) rg_real_error0.41
I(0) (real space) i0_real4.4510e+07
I(0) uncertainty (real space) i0_real_error6.0050e+05
Rg (reciprocal space) rg_reciprocal25.01
I(0) (reciprocal space) i0_reciprocal44510000.0000
Solution quality estimate total_estimate0.9001
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary34.5
Skewness Skewness skewness0.108
Kurtosis Kurtosis kurtosis-0.472
Angular range angular_range— – 0.3150 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha12310000.0000
Real-space data points n_real_points64
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.919; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.948

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (2)

7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd2yyna_
Class classa — All alpha proteins
Fold Fold folda.29 — Bromodomain-like
Superfamily Superfamily superfamilya.29.2 — Bromodomain
Family Family familya.29.2.0 — automated matches
Domain ID domain_idd2yynb_
Class classa — All alpha proteins
Fold Fold folda.29 — Bromodomain-like
Superfamily Superfamily superfamilya.29.2 — Bromodomain
Family Family familya.29.2.0 — automated matches
Domain ID domain_idd2yync_
Class classa — All alpha proteins
Fold Fold folda.29 — Bromodomain-like
Superfamily Superfamily superfamilya.29.2 — Bromodomain
Family Family familya.29.2.0 — automated matches
Domain ID domain_idd2yynd_
Class classa — All alpha proteins
Fold Fold folda.29 — Bromodomain-like
Superfamily Superfamily superfamilya.29.2 — Bromodomain
Family Family familya.29.2.0 — automated matches

CATH v4.4 (4 domains)

Domain ID domain_id2yynA00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology920 — Histone Acetyltransferase; Chain A
Homologous superfamily homologous superfamily10 — Bromodomain-like
Domain ID domain_id2yynB00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology920 — Histone Acetyltransferase; Chain A
Homologous superfamily homologous superfamily10 — Bromodomain-like
Domain ID domain_id2yynC00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology920 — Histone Acetyltransferase; Chain A
Homologous superfamily homologous superfamily10 — Bromodomain-like
Domain ID domain_id2yynD00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology920 — Histone Acetyltransferase; Chain A
Homologous superfamily homologous superfamily10 — Bromodomain-like

8. Citations (1)

9. Files and Curves (10)