6uyc

Crystal structure of TEAD2 bound to Compound 2

Method: X-RAY DIFFRACTION Dmax: 75.3 Å Quality: GOOD

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 221–451 Not recorded QLV N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;292 K;200 mM potassium/sodium tartrate pH 6.5 20% PEG 3350 Resolution 1.66 Å R-free 0.216
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 221–451 Not recorded QLV N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;292 K;200 mM potassium/sodium tartrate pH 6.5 20% PEG 3350 Resolution 1.66 Å R-free 0.216

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 Q15562-4
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 3–233; UniProt 221–451 Author chain B; PDBConstruct 3–233; UniProt 221–451

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 6uyc

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6uyc
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6uyc
Deposition date deposition_date2019-11-12
Structure title titleCrystal structure of TEAD2 bound to Compound 2
Keywords keywordsTEAD, YAP Binding Domain, Transcription Inhibitor, Palmitoylation inhibitor, TRANSCRIPTION-INHIBITOR complex; TRANSCRIPTION/INHIBITOR
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier23.66
Radius of gyration Rg (electron density) rg_electron22.41
Forward intensity I(0) i036125000.00
Molecular weight molecular_weight46823.0 kDa
Excluded volume excluded_volume58811 ų
Envelope volume envelope_volume70547 ų
Hydration-shell volume shell_volume25934 ų
Envelope diameter envelope_diameter77.1
Shell Rg shell_rg29.54
Envelope Rg envelope_rg22.59
Shape Rg shape_rg22.44
Total Rg total_rg23.25
Total atoms total_atoms3305
Residues n_residues404
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 dmax75.3
Rg (real space) rg_real23.54
Rg uncertainty (real space) rg_real_error0.34
I(0) (real space) i0_real3.6130e+07
I(0) uncertainty (real space) i0_real_error4.6850e+05
Rg (reciprocal space) rg_reciprocal23.57
I(0) (reciprocal space) i0_reciprocal36130000.0000
Solution quality estimate total_estimate0.8992
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary29.4
Skewness Skewness skewness0.197
Kurtosis Kurtosis kurtosis-0.448
Angular range angular_range— – 0.3350 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha6867000.0000
Real-space data points n_real_points65
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.898; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.993

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd6uyca_
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.18 — E set domains
Family Family familyb.1.18.26 — TEAD-like transcription factors, E-set domain
Domain ID domain_idd6uycb_
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.18 — E set domains
Family Family familyb.1.18.26 — TEAD-like transcription factors, E-set domain

CATH v4.4 (2 domains)

Domain ID domain_id6uycA00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology50 — Coagulation Factor XIII; Chain A, domain 1
Homologous superfamily homologous superfamily80
Domain ID domain_id6uycB00
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)