Manganese in PDB 8fr5: Crystal Structure of the Human Smacovirus 1 Rep Domain

The structure of Crystal Structure of the Human Smacovirus 1 Rep Domain, PDB code: 8fr5 was solved by L.K.Limon, K.Shi, A.Dao, J.Rugloski, K.J.Tompkins, H.Aihara, W.R.Gordon, R.L.Evans Iiii, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.43 / 1.33
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.16, 49.37, 31.38, 90, 110.3, 90
R / Rfree (%)	18.7 / 22.4

The structure of Crystal Structure of the Human Smacovirus 1 Rep Domain also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Manganese atom in the Crystal Structure of the Human Smacovirus 1 Rep Domain (pdb code 8fr5). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of the Human Smacovirus 1 Rep Domain, PDB code: 8fr5:

Manganese binding site 1 out of 1 in the Crystal Structure of the Human Smacovirus 1 Rep Domain


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Human Smacovirus 1 Rep Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn103 b:124.7 occ:1.00 NH1 A:ARG53 3.4 49.2 1.0 O A:GLY29 3.7 28.5 1.0 O A:ASP26 3.9 29.9 1.0 OD1 A:ASP26 4.2 33.4 1.0 O A:GLU30 4.3 27.2 1.0 CA A:ASP26 4.4 26.5 1.0 CZ A:ARG53 4.4 47.6 1.0 C A:ASP26 4.6 27.5 1.0 CE2 A:TYR32 4.7 24.6 1.0 C A:GLY29 4.9 24.6 1.0 NH2 A:ARG53 4.9 48.6 1.0 C A:GLU30 4.9 26.6 1.0 CG A:ASP26 4.9 31.6 1.0 O A:LEU25 5.0 22.6 1.0 CB A:ASP26 5.0 28.0 1.0

L.K.Limon, K.Shi, A.Dao, J.Rugloski, K.J.Tompkins, H.Aihara, W.R.Gordon, R.L.Evans 3Rd. The Crystal Structure of the Human Smacovirus 1 Rep Domain. Acta Crystallogr.,Sect.F V. 79 295 2023.
ISSN: ESSN 2053-230X
PubMed: 38051309
DOI: 10.1107/S2053230X23009536