Manganese in PDB 6dy6: Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2E

The structure of Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2E, PDB code: 6dy6 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)	37.63 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.720, 49.000, 117.530, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 26

The structure of Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2E also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Manganese atom in the Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2E (pdb code 6dy6). 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, CH2E, PDB code: 6dy6:
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, CH2E


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, CH2E within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:19.4 occ:1.00 NE2 B:HIS67 2.1 20.4 1.0 OE2 A:GLU97 2.2 20.7 1.0 NE2 A:HIS71 2.2 22.1 1.0 O B:HOH312 2.2 19.9 1.0 NE2 B:HIS71 2.3 26.2 1.0 O A:HOH312 2.3 19.4 1.0 CE1 B:HIS67 3.0 31.9 1.0 CE1 B:HIS71 3.1 31.6 1.0 CE1 A:HIS71 3.1 27.0 1.0 CD2 B:HIS67 3.2 21.4 1.0 CD A:GLU97 3.2 28.3 1.0 CD2 A:HIS71 3.3 20.7 1.0 CD2 B:HIS71 3.4 24.1 1.0 CG A:GLU97 4.0 29.5 1.0 OE1 A:GLU97 4.1 33.0 1.0 ND1 B:HIS67 4.2 27.1 1.0 ND1 A:HIS67 4.2 28.0 1.0 OE2 B:GLU97 4.2 33.3 1.0 CG B:HIS67 4.3 22.7 1.0 ND1 B:HIS71 4.3 29.1 1.0 O A:HOH336 4.3 19.5 1.0 ND1 A:HIS71 4.3 26.9 1.0 O B:HOH339 4.3 20.2 1.0 CG A:HIS71 4.4 21.3 1.0 NE2 A:GLN93 4.4 15.0 0.5 CG B:HIS71 4.5 22.8 1.0 O B:HOH324 4.5 36.8 1.0 CB A:HIS67 4.6 17.2 1.0 CG A:HIS67 4.8 26.2 1.0 O A:HIS67 5.0 20.4 1.0 OE1 A:GLN93 5.0 34.7 0.5

Manganese binding site 2 out of 2 in the Mn(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH2E


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, CH2E within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:22.3 occ:0.38 NE2 A:HIS63 1.9 22.5 1.0 O B:HOH342 2.0 40.4 1.0 O A:HOH335 2.3 26.7 1.0 NE2 A:HIS67 2.6 41.2 1.0 OD1 B:ASP74 2.7 42.5 1.0 O A:HOH363 2.7 35.4 1.0 CD2 A:HIS63 2.8 21.8 1.0 CE1 A:HIS63 3.0 24.6 1.0 OD2 B:ASP74 3.3 33.2 1.0 CE1 A:HIS67 3.3 28.0 1.0 CG B:ASP74 3.4 30.9 1.0 CD2 A:HIS67 3.6 32.6 1.0 CG A:HIS63 4.0 22.9 1.0 ND1 A:HIS63 4.0 25.1 1.0 O A:HOH368 4.3 37.0 1.0 O B:GLY70 4.4 23.4 1.0 ND1 A:HIS67 4.5 28.0 1.0 CG A:HIS67 4.6 26.2 1.0 O B:HOH314 4.7 33.6 1.0 CB B:ASP74 4.8 26.8 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