Manganese in PDB 6dy8: Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2EY

The structure of Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2EY, PDB code: 6dy8 was solved by F.A.Tezcan, J.Rittle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.59 / 1.90
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	75.661, 37.591, 77.323, 90.00, 104.39, 90.00
R / Rfree (%)	22.6 / 27.8

The structure of Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2EY also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Manganese atom in the Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2EY (pdb code 6dy8). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2EY, PDB code: 6dy8:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2EY


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2EY within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:39.5 occ:1.00 NE2 B:HIS67 2.1 41.8 1.0 NE2 D:HIS71 2.2 39.0 1.0 NE2 D:HIS67 2.2 49.9 1.0 NE2 B:HIS71 2.3 49.9 1.0 OE2 D:GLU97 2.4 56.1 1.0 CE1 D:HIS67 2.4 44.8 1.0 OE1 D:GLU97 2.8 46.4 1.0 CE1 B:HIS67 2.8 45.2 1.0 CD D:GLU97 2.9 49.1 1.0 CE1 D:HIS71 3.0 45.9 1.0 CE1 B:HIS71 3.2 50.5 1.0 CD2 D:HIS71 3.3 37.4 1.0 CD2 B:HIS71 3.3 48.4 1.0 CD2 B:HIS67 3.3 45.8 1.0 CD2 D:HIS67 3.5 44.8 1.0 ND1 D:HIS67 3.7 48.8 1.0 ND1 B:HIS67 4.1 41.9 1.0 ND1 D:HIS71 4.2 37.5 1.0 CG D:HIS67 4.2 40.2 1.0 CG D:HIS71 4.3 38.9 1.0 ND1 B:HIS71 4.3 56.0 1.0 CG B:HIS67 4.3 42.0 1.0 CG D:GLU97 4.4 54.2 1.0 CG B:HIS71 4.4 44.1 1.0

Manganese binding site 2 out of 2 in the Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2EY


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2EY within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn201 b:21.3 occ:1.00 NE2 C:HIS71 2.2 27.8 1.0 NE2 A:HIS71 2.2 23.8 1.0 NE2 A:HIS67 2.2 21.6 1.0 OE2 A:GLU97 2.2 21.7 1.0 NE2 C:HIS67 2.3 21.1 1.0 OE1 A:GLU97 2.3 25.9 1.0 CD A:GLU97 2.6 21.6 1.0 CE1 C:HIS71 3.0 24.6 1.0 CD2 A:HIS67 3.1 26.2 1.0 CE1 C:HIS67 3.1 18.8 1.0 CD2 A:HIS71 3.2 22.3 1.0 CE1 A:HIS71 3.2 28.6 1.0 CE1 A:HIS67 3.2 23.0 1.0 CD2 C:HIS71 3.3 24.2 1.0 CD2 C:HIS67 3.4 25.3 1.0 CG A:GLU97 4.1 19.4 1.0 ND1 C:HIS71 4.2 28.4 1.0 CG A:HIS67 4.3 31.4 1.0 O A:HOH370 4.3 27.9 1.0 ND1 A:HIS67 4.3 30.7 1.0 ND1 A:HIS71 4.3 23.5 1.0 ND1 C:HIS67 4.3 19.0 1.0 CG A:HIS71 4.3 19.9 1.0 CG C:HIS71 4.3 24.8 1.0 CG C:HIS67 4.5 20.0 1.0 O A:HOH332 4.5 20.5 1.0 O A:HOH356 4.7 20.8 1.0 CB A:GLU97 5.0 21.4 1.0

J.Rittle, M.J.Field, M.T.Green, F.A.Tezcan. An Efficient, Step-Economical Strategy For the Design of Functional Metalloproteins. Nat.Chem. V. 11 434 2019.
ISSN: ESSN 1755-4349
PubMed: 30778140
DOI: 10.1038/S41557-019-0218-9