Manganese in PDB 4zad: Structure of C. Dubliensis FDC1 with the Prenylated-Flavin Cofactor in the Iminium Form.

The structure of Structure of C. Dubliensis FDC1 with the Prenylated-Flavin Cofactor in the Iminium Form., PDB code: 4zad was solved by S.S.Bailey, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.04 / 2.46
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	91.970, 64.550, 96.050, 90.00, 91.07, 90.00
R / Rfree (%)	20.5 / 25.6

The structure of Structure of C. Dubliensis FDC1 with the Prenylated-Flavin Cofactor in the Iminium Form. also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Manganese atom in the Structure of C. Dubliensis FDC1 with the Prenylated-Flavin Cofactor in the Iminium Form. (pdb code 4zad). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of C. Dubliensis FDC1 with the Prenylated-Flavin Cofactor in the Iminium Form., PDB code: 4zad:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of C. Dubliensis FDC1 with the Prenylated-Flavin Cofactor in the Iminium Form.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of C. Dubliensis FDC1 with the Prenylated-Flavin Cofactor in the Iminium Form. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn601 b:32.9 occ:1.00 OE1 A:GLU240 2.0 22.0 1.0 OD1 A:ASN174 2.1 21.8 1.0 O2P A:4LU603 2.2 13.6 1.0 O A:HOH713 2.3 23.0 1.0 O A:HOH717 2.3 15.2 1.0 CD2 A:HIS197A 2.4 20.1 1.0 CG A:ASN174 3.1 23.3 1.0 CD A:GLU240 3.2 23.9 1.0 P A:4LU603 3.3 19.8 1.0 CG A:HIS197A 3.4 22.4 1.0 ND2 A:ASN174 3.4 21.6 1.0 NE2 A:HIS197A 3.5 23.7 1.0 O3P A:4LU603 3.6 16.0 1.0 K A:K602 3.7 22.0 1.0 OE2 A:GLU240 3.8 25.0 1.0 CB A:HIS197A 3.8 23.6 1.0 O1P A:4LU603 4.2 15.9 1.0 CG1 A:ILE234 4.3 20.2 1.0 O A:ILE234 4.4 20.4 1.0 O5' A:4LU603 4.4 15.7 1.0 CG A:GLU240 4.4 24.2 1.0 O A:ALA238 4.4 23.7 1.0 CB A:ASN174 4.4 23.6 1.0 ND1 A:HIS197A 4.5 21.7 1.0 CE1 A:HIS197A 4.6 22.6 1.0 CZ2 A:TRP172 4.6 22.2 1.0 O A:TRP175 4.6 24.3 1.0 NE1 A:TRP172 4.6 23.5 1.0 O A:PRO235 4.7 20.7 1.0

Manganese binding site 2 out of 2 in the Structure of C. Dubliensis FDC1 with the Prenylated-Flavin Cofactor in the Iminium Form.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of C. Dubliensis FDC1 with the Prenylated-Flavin Cofactor in the Iminium Form. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn601 b:37.0 occ:1.00 ND2 B:ASN174 2.0 34.6 1.0 OE2 B:GLU240 2.1 26.3 1.0 O B:HOH710 2.2 37.1 1.0 O2P B:4LU603 2.2 32.0 1.0 ND1 B:HIS197 2.3 31.5 1.0 O B:HOH706 2.3 20.5 1.0 CE1 B:HIS197 3.0 32.9 1.0 CG B:ASN174 3.1 34.2 1.0 CD B:GLU240 3.2 28.2 1.0 P B:4LU603 3.3 32.6 1.0 OD1 B:ASN174 3.3 33.2 1.0 CG B:HIS197 3.4 34.5 1.0 O3P B:4LU603 3.6 32.6 1.0 OE1 B:GLU240 3.6 26.3 1.0 K B:K602 3.7 32.3 1.0 CB B:HIS197 3.9 35.5 1.0 NE2 B:HIS197 4.2 34.1 1.0 O1P B:4LU603 4.2 31.5 1.0 O B:ILE234 4.2 31.1 1.0 CG1 B:ILE234 4.4 28.6 1.0 CB B:ASN174 4.4 33.3 1.0 O B:ALA238 4.4 35.3 1.0 CD2 B:HIS197 4.4 33.5 1.0 CZ2 B:TRP172 4.5 42.8 1.0 CG B:GLU240 4.5 28.4 1.0 O5' B:4LU603 4.5 29.9 1.0 O B:PRO235 4.6 32.7 1.0 NE1 B:TRP172 4.6 41.5 1.0 O B:TRP175 4.8 26.4 1.0 CE2 B:TRP172 5.0 42.3 1.0 CA B:ASN174 5.0 33.4 1.0

K.A.Payne, M.D.White, K.Fisher, B.Khara, S.S.Bailey, D.Parker, N.J.Rattray, D.K.Trivedi, R.Goodacre, R.Beveridge, P.Barran, S.E.Rigby, N.S.Scrutton, S.Hay, D.Leys. New Cofactor Supports Alpha , Beta-Unsaturated Acid Decarboxylation Via 1,3-Dipolar Cycloaddition. Nature V. 522 502 2015.
ISSN: ESSN 1476-4687
PubMed: 26083754
DOI: 10.1038/NATURE14560