6s66

Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor

Method: X-RAY DIFFRACTION Dmax: 75.7 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 217–447 Not recorded MYR MYRISTIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;298 K;2.8M sodium formate Resolution 2.20 Å R-free 0.262
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 217–447 Not recorded MYR MYRISTIC ACID × 1 KWW 1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;298 K;2.8M sodium formate Resolution 2.20 Å R-free 0.262

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 2–232; UniProt 217–447 Author chain B; PDBConstruct 2–232; 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 6s66

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6s66
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id6s66
Deposition date deposition_date2019-07-02
Structure title titleCrystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor
Keywords keywordsTEAD2, Inhibitor, TRANSCRIPTION; TRANSCRIPTION
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier23.63
Radius of gyration Rg (electron density) rg_electron22.21
Forward intensity I(0) i036473400.00
Molecular weight molecular_weight47457.0 kDa
Excluded volume excluded_volume59848 ų
Envelope volume envelope_volume71554 ų
Hydration-shell volume shell_volume26510 ų
Envelope diameter envelope_diameter77.0
Shell Rg shell_rg29.28
Envelope Rg envelope_rg22.26
Shape Rg shape_rg22.23
Total Rg total_rg23.04
Total atoms total_atoms3348
Residues n_residues400
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 dmax75.7
Rg (real space) rg_real23.49
Rg uncertainty (real space) rg_real_error0.36
I(0) (real space) i0_real3.6470e+07
I(0) uncertainty (real space) i0_real_error4.5230e+05
Rg (reciprocal space) rg_reciprocal23.52
I(0) (reciprocal space) i0_reciprocal36470000.0000
Solution quality estimate total_estimate0.8959
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary29.6
Skewness Skewness skewness0.157
Kurtosis Kurtosis kurtosis-0.466
Angular range angular_range— – 0.3350 −1
Current regularization parameter α current_alpha0.0001
Highest regularization parameter α highest_alpha6367000.0000
Real-space data points n_real_points65
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.883; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.998

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd6s66a_
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_idd6s66b_
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

8. Citations (1)

9. Files and Curves (10)