Evidence: It is a single molecule. There is not macromolecular assembly.
Type
Name
Symmetry operation
Number
identity operation
1_555
x,y,z
1
Buried area
840 Å2
ΔGint
-1 kcal/mol
Surface area
11770 Å2
Method
PISA
Unit cell
Length a, b, c (Å)
143.328, 143.328, 88.502
Angle α, β, γ (deg.)
90.00, 90.00, 120.00
Int Tables number
181
Space group name H-M
P6422
-
Components
#1: Protein
IsoformAlpha-1ofThyroidhormonereceptoralpha / Nuclear receptor subfamily 1 group A member 1 / V-erbA-related protein 7 / EAR-7 / c-erbA-1 / c-erbA-alpha
Mass: 26725.896 Da / Num. of mol.: 1 / Mutation: P393GX Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: THRA, EAR7, ERBA1, NR1A1, THRA1, THRA2 / Plasmid: pGEX2T / Production host: Escherichia coli (E. coli) / Variant (production host): Rosetta / References: UniProt: P10827
#2: Chemical
ChemComp-T3 / 3,5,3'TRIIODOTHYRONINE / T3 / THYROID HORMONE / LIOTHYRONINE
Mass: 650.973 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: C15H12I3NO4 / Feature type: SUBJECT OF INVESTIGATION / Comment: hormone*YM
Resolution: 3→72.06 Å / Cor.coef. Fo:Fc: 0.936 / Cor.coef. Fo:Fc free: 0.922 / SU B: 11.083 / SU ML: 0.204 / Cross valid method: THROUGHOUT / ESU R: 0.439 / ESU R Free: 0.293 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22754
581
5.2 %
RANDOM
Rwork
0.18322
-
-
-
obs
0.18555
11208
99.86 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å