Manganese in PDB 8awd: Xylose Isomerase in 95% Relative Humidity Environment

All present enzymatic activity of Xylose Isomerase in 95% Relative Humidity Environment:
5.3.1.5;

The structure of Xylose Isomerase in 95% Relative Humidity Environment, PDB code: 8awd was solved by P.Mehrabi, S.Sung, D.Von Stetten, A.Prester, C.E.Hatton, S.Kleine-Doepke, A.Berkes, G.Gore, J.P.Leimkohl, H.Schikora, M.Kollewe, H.Rohde, M.Wilmanns, F.Tellkamp, E.C.Schulz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.55 / 1.85
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	93.48, 99.11, 102.46, 90, 90, 90
R / Rfree (%)	16 / 19.2

The structure of Xylose Isomerase in 95% Relative Humidity Environment also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Manganese atom in the Xylose Isomerase in 95% Relative Humidity Environment (pdb code 8awd). 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 Xylose Isomerase in 95% Relative Humidity Environment, PDB code: 8awd:

Manganese binding site 1 out of 1 in the Xylose Isomerase in 95% Relative Humidity Environment


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Xylose Isomerase in 95% Relative Humidity Environment within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn404 b:24.6 occ:1.00 OE2 A:GLU217 2.0 25.1 1.0 O A:HOH670 2.2 26.8 1.0 OD1 A:ASP257 2.2 20.4 1.0 OD2 A:ASP255 2.3 26.6 1.0 OD1 A:ASP255 2.4 22.3 1.0 NE2 A:HIS220 2.4 23.3 1.0 CG A:ASP255 2.7 26.4 1.0 CD A:GLU217 2.9 24.7 1.0 CD2 A:HIS220 3.1 19.7 1.0 CG A:ASP257 3.1 27.4 1.0 OE1 A:GLU217 3.2 23.0 1.0 OD2 A:ASP257 3.3 31.4 1.0 CE1 A:HIS220 3.5 19.6 1.0 O A:HOH713 3.8 34.2 1.0 O A:HOH504 3.9 37.4 1.0 ND2 A:ASN247 4.0 20.4 1.0 O A:HOH547 4.0 25.4 1.0 CB A:ASP255 4.2 25.0 1.0 CG A:HIS220 4.3 18.5 1.0 CG A:GLU217 4.3 21.1 1.0 ND1 A:HIS220 4.4 22.8 1.0 CB A:ASP257 4.5 19.8 1.0 O A:HOH620 4.6 40.1 1.0 CE A:LYS183 4.7 25.2 1.0 NZ A:LYS183 4.8 30.3 1.0 MG A:MG401 4.9 25.4 0.4 OD2 A:ASP287 4.9 26.8 1.0 CA A:ASP257 4.9 19.9 1.0 N A:ASP257 5.0 20.2 1.0

P.Mehrabi, S.Sung, D.Von Stetten, A.Prester, C.E.Hatton, S.Kleine-Dopke, A.Berkes, G.Gore, J.P.Leimkohl, H.Schikora, M.Kollewe, H.Rohde, M.Wilmanns, F.Tellkamp, E.C.Schulz. Millisecond Cryo-Trapping By the Spitrobot Crystal Plunger Simplifies Time-Resolved Crystallography. Nat Commun V. 14 2365 2023.
ISSN: ESSN 2041-1723
PubMed: 37185266
DOI: 10.1038/S41467-023-37834-W