Manganese in PDB 5t2t: Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001

All present enzymatic activity of Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001:
2.7.7.48;

The structure of Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001, PDB code: 5t2t was solved by M.Saez-Ayala, E.L.Yekwa, B.Canard, K.Alvarez, F.Ferron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.06 / 1.97
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	108.116, 108.116, 54.087, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.1

The structure of Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001 also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Sodium	(Na)	2 atoms

The binding sites of Manganese atom in the Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001 (pdb code 5t2t). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001, PDB code: 5t2t:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001


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 Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:26.1 occ:1.00 H14 A:0N8203 1.4 30.8 1.0 O A:HOH342 2.2 26.1 1.0 OD2 A:ASP88 2.2 55.3 0.5 O A:CYS102 2.2 39.4 1.0 O A:HOH340 2.2 25.4 1.0 O28 A:0N8203 2.2 25.7 1.0 O25 A:0N8203 2.2 41.3 1.0 OD1 A:ASP88 2.2 54.4 0.5 OD2 A:ASP88 2.3 55.3 0.5 CG A:ASP88 2.6 24.6 0.5 C23 A:0N8203 3.2 35.1 1.0 C24 A:0N8203 3.2 27.1 1.0 CG A:ASP88 3.3 24.6 0.5 C A:CYS102 3.3 28.9 1.0 MN A:MN202 3.6 31.3 1.0 N A:CYS102 3.7 23.5 1.0 OD1 A:ASP88 3.9 54.4 0.5 OE2 A:GLU101 4.0 30.1 1.0 CA A:CYS102 4.0 27.5 0.7 CA A:CYS102 4.0 27.5 0.3 O A:HOH313 4.1 27.9 1.0 OE2 A:GLU50 4.2 25.4 1.0 CB A:ASP88 4.2 25.1 0.5 O A:HOH353 4.2 34.9 1.0 N A:PHE103 4.4 22.9 1.0 CB A:CYS102 4.4 27.7 0.7 O26 A:0N8203 4.5 85.6 1.0 C22 A:0N8203 4.5 48.0 1.0 CB A:ASP88 4.5 25.1 0.5 O A:HOH396 4.5 35.8 1.0 CB A:CYS102 4.5 27.7 0.3 O A:HOH360 4.6 26.4 1.0 CA A:PHE103 4.6 20.6 1.0 OD2 A:ASP118 4.7 26.3 1.0 C A:GLU101 4.7 32.8 1.0 CB A:PHE103 4.8 23.6 1.0 CD A:GLU50 4.9 28.6 1.0 CG A:GLU50 4.9 27.3 1.0 O27 A:0N8203 4.9 25.2 1.0 CA A:GLU101 5.0 19.8 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:31.3 occ:1.00 OD1 A:ASP88 1.6 54.4 0.5 OD1 A:ASP88 2.2 54.4 0.5 O27 A:0N8203 2.2 25.2 1.0 O A:HOH308 2.2 29.1 1.0 O28 A:0N8203 2.2 25.7 1.0 O A:HOH313 2.2 27.9 1.0 O A:HOH360 2.2 26.4 1.0 CG A:ASP88 2.5 24.6 0.5 H14 A:0N8203 2.7 30.8 1.0 OD2 A:ASP88 2.8 55.3 0.5 C14 A:0N8203 3.2 31.4 1.0 CG A:ASP88 3.3 24.6 0.5 C23 A:0N8203 3.3 35.1 1.0 MN A:MN201 3.6 26.1 1.0 C22 A:0N8203 3.7 48.0 1.0 CB A:ASP88 3.9 25.1 0.5 O A:ILE86 4.0 31.7 1.0 OE2 A:GLU50 4.1 25.4 1.0 H10 A:0N8203 4.1 44.3 1.0 OD2 A:ASP88 4.1 55.3 0.5 CA A:ASP88 4.3 27.6 0.5 OE2 A:GLU101 4.3 30.1 1.0 CB A:ASP88 4.3 25.1 0.5 O A:HOH342 4.3 26.1 1.0 O A:HOH328 4.3 40.6 1.0 N A:ASP88 4.3 25.9 0.5 O A:HOH358 4.3 35.8 1.0 N A:ASP88 4.4 25.9 0.5 O A:HOH340 4.5 25.4 1.0 CA A:ASP88 4.5 27.6 0.5 H8 A:0N8203 4.6 44.1 1.0 C24 A:0N8203 4.6 27.1 1.0 C A:PRO87 4.6 34.1 1.0 O25 A:0N8203 4.7 41.3 1.0 H11 A:0N8203 4.7 57.6 1.0 C11 A:0N8203 4.7 33.7 1.0 H19 A:0N8203 4.7 55.0 1.0 CD A:GLU50 4.7 28.6 1.0 C17 A:0N8203 4.8 34.9 1.0 O A:PRO87 4.9 32.1 1.0 CG1 A:ILE86 4.9 35.5 0.1 C16 A:0N8203 4.9 33.7 1.0 C9 A:0N8203 5.0 36.9 1.0 O A:HOH396 5.0 35.8 1.0 C10 A:0N8203 5.0 36.7 1.0 C18 A:0N8203 5.0 28.8 1.0

M.Saez-Ayala, E.L.Yekwa, M.Carcelli, B.Canard, K.Alvarez, F.Ferron. Crystal Structures Oflymphocytic Choriomeningitis Virusendonuclease Domain Complexed with Diketo-Acid Ligands. Iucrj V. 5 223 2018.
ISSN: ESSN 2052-2525
PubMed: 29765612
DOI: 10.1107/S2052252518001021