7tyq

TEAD2 bound to Compound 1

Method: X-RAY DIFFRACTION Dmax: 71.8 Å Quality: EXCELLENT

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

Transcriptional enhancer factor TEF-4

Homo sapiens

UniProt Q15562

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 217–447 Not recorded KUI ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;0.2 M Na/K Tartrate, 0.1 M Bis Tris pH 6.5, 35% PEG 3350 Resolution 1.88 Å R-free 0.247
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 217–447 Not recorded KUI ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;0.2 M Na/K Tartrate, 0.1 M Bis Tris pH 6.5, 35% PEG 3350 Resolution 1.88 Å R-free 0.247

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.

41 other PDB entries and 78 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TEAD2_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–231; UniProt 217–447 Author chain B; PDBConstruct 1–231; UniProt 217–447

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 7tyq

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7tyq
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7tyq
Deposition date deposition_date2022-02-14
Structure title titleTEAD2 bound to Compound 1
Keywords keywordsSmall molecule PPI inhibitor complex, TRANSCRIPTION; TRANSCRIPTION
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier23.39
Radius of gyration Rg (electron density) rg_electron22.18
Forward intensity I(0) i034921400.00
Molecular weight molecular_weight46116.0 kDa
Excluded volume excluded_volume57868 ų
Envelope volume envelope_volume69114 ų
Hydration-shell volume shell_volume25715 ų
Envelope diameter envelope_diameter76.5
Shell Rg shell_rg29.16
Envelope Rg envelope_rg22.23
Shape Rg shape_rg22.20
Total Rg total_rg22.99
Total atoms total_atoms3258
Residues n_residues398
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 dmax71.8
Rg (real space) rg_real23.26
Rg uncertainty (real space) rg_real_error0.35
I(0) (real space) i0_real3.4920e+07
I(0) uncertainty (real space) i0_real_error4.1050e+05
Rg (reciprocal space) rg_reciprocal23.30
I(0) (reciprocal space) i0_reciprocal34920000.0000
Solution quality estimate total_estimate0.9044
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary28.7
Skewness Skewness skewness0.168
Kurtosis Kurtosis kurtosis-0.483
Angular range angular_range— – 0.3400 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha6402000.0000
Real-space data points n_real_points66
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.939; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.943

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id7tyqA01
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology50 — Coagulation Factor XIII; Chain A, domain 1
Homologous superfamily homologous superfamily80
Domain ID domain_id7tyqB01
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology50 — Coagulation Factor XIII; Chain A, domain 1
Homologous superfamily homologous superfamily80

8. Citations (1)

9. Files and Curves (10)