Erbium in PDB 9de4: Er-Bound Structure of Computationally Designed Homotetramer PW1

The structure of Er-Bound Structure of Computationally Designed Homotetramer PW1, PDB code: 9de4 was solved by A.M.Hoffnagle, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.66 / 2.00
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	65.99, 65.99, 38.28, 90, 90, 90
R / Rfree (%)	19.7 / 24.4

The structure of Er-Bound Structure of Computationally Designed Homotetramer PW1 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Erbium atom in the Er-Bound Structure of Computationally Designed Homotetramer PW1 (pdb code 9de4). This binding sites where shown within 5.0 Angstroms radius around Erbium atom.
In total only one binding site of Erbium was determined in the Er-Bound Structure of Computationally Designed Homotetramer PW1, PDB code: 9de4:

Erbium binding site 1 out of 1 in the Er-Bound Structure of Computationally Designed Homotetramer PW1


Mono view


Stereo pair view

A full contact list of Erbium with other atoms in the Er binding site number 1 of Er-Bound Structure of Computationally Designed Homotetramer PW1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Er201 b:669.7 occ:0.25 OE2 A:GLU52 2.3 126.2 1.0 OE1 A:GLU52 2.3 126.8 1.0 CD A:GLU52 2.6 118.3 1.0 CL A:CL202 2.7 129.1 0.2 CG A:GLU52 4.0 82.9 1.0 CB A:GLU52 4.7 54.7 1.0 NH1 A:ARG56 5.0 150.2 1.0

A.M.Hoffnagle, C.Y.Tsai, F.A.Tezcan. Machine Learning-Guided Design of A Protein Assembly with A Synthetic Metal Center To Be Published.