4ybs

Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide (7g)

Method: X-RAY DIFFRACTION Dmax: 60.5 Å Quality: GOOD

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 monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 824–1006 Fragment:bromodomain (UNP residues 824-1006) ZN ZINC ION × 2 4BK N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;298 K;2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol Resolution 1.83 Å R-free 0.231

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 47 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 2–184; UniProt 824–1006

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 4ybs

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id4ybs
Deposition date deposition_date2015-02-19
Structure title titleCrystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide (7g)
Keywords keywordsCenter for Biomolecular Structure and Function, Bromodomain, TRIM24, inhibitor, TRANSCRIPTION-TRANSCRIPTION INHIBITOR complex; TRANSCRIPTION/TRANSCRIPTION INHIBITOR
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier18.17
Radius of gyration Rg (electron density) rg_electron17.17
Forward intensity I(0) i08378850.00
Molecular weight molecular_weight21352.0 kDa
Excluded volume excluded_volume26708 ų
Envelope volume envelope_volume31273 ų
Hydration-shell volume shell_volume15504 ų
Envelope diameter envelope_diameter61.5
Shell Rg shell_rg23.02
Envelope Rg envelope_rg17.77
Shape Rg shape_rg17.18
Total Rg total_rg18.16
Total atoms total_atoms1487
Residues n_residues178
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 dmax60.5
Rg (real space) rg_real18.13
Rg uncertainty (real space) rg_real_error0.46
I(0) (real space) i0_real8.3790e+06
I(0) uncertainty (real space) i0_real_error1.1790e+05
Rg (reciprocal space) rg_reciprocal18.14
I(0) (reciprocal space) i0_reciprocal8379000.0000
Solution quality estimate total_estimate0.8081
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary22.1
Skewness Skewness skewness0.265
Kurtosis Kurtosis kurtosis-0.345
Angular range angular_range— – 0.4400 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha1848000.0000
Real-space data points n_real_points75
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.836; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id4ybsA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology40 — Herpes Virus-1
Homologous superfamily homologous superfamily10 — Zinc/RING finger domain, C3HC4 (zinc finger)
Domain ID domain_id4ybsA02
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)