Zinc in PDB 8sjh: Zn-Bound Structure of Computationally Designed Homotrimer TP1

The structure of Zn-Bound Structure of Computationally Designed Homotrimer TP1, PDB code: 8sjh 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)	45.44 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.04, 77.41, 47.42, 90, 107.03, 90
R / Rfree (%)	16.5 / 19.5

The structure of Zn-Bound Structure of Computationally Designed Homotrimer TP1 also contains other interesting chemical elements:

Calcium	(Ca)	3 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Zinc atom in the Zn-Bound Structure of Computationally Designed Homotrimer TP1 (pdb code 8sjh). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Zn-Bound Structure of Computationally Designed Homotrimer TP1, PDB code: 8sjh:

Zinc binding site 1 out of 1 in the Zn-Bound Structure of Computationally Designed Homotrimer TP1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Zn-Bound Structure of Computationally Designed Homotrimer TP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:22.1 occ:1.00 NE2 C:HIS66 2.0 19.3 1.0 NE2 A:HIS66 2.0 18.6 1.0 NE2 B:HIS66 2.1 19.3 1.0 CL C:CL201 2.3 47.8 1.0 CD2 A:HIS66 2.9 17.9 1.0 O A:HOH375 2.9 49.5 1.0 CD2 C:HIS66 3.0 20.2 1.0 CD2 B:HIS66 3.0 18.7 1.0 CE1 C:HIS66 3.0 19.9 1.0 CE1 A:HIS66 3.1 19.8 1.0 CE1 B:HIS66 3.1 19.1 1.0 O A:HOH371 3.7 47.1 1.0 O B:HOH403 4.0 34.0 1.0 O C:HOH390 4.0 30.9 1.0 CG C:HIS66 4.1 15.0 1.0 CG A:HIS66 4.1 16.6 1.0 ND1 C:HIS66 4.1 17.5 1.0 ND1 A:HIS66 4.1 18.4 1.0 CG B:HIS66 4.1 15.2 1.0 ND1 B:HIS66 4.2 18.1 1.0 O A:HOH390 4.6 32.4 1.0 O B:HOH439 4.7 41.3 1.0 O A:HOH393 4.7 41.5 1.0 O B:HOH417 4.7 40.2 1.0 O B:HOH321 4.9 35.7 1.0

A.M.Hoffnagle, F.A.Tezcan. Atomically Accurate Design of Metalloproteins with Predefined Coordination Geometries. J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
PubMed: 37352018
DOI: 10.1021/JACS.3C04047