Manganese in PDB 7nf0: T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn

All present enzymatic activity of T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn:
4.1.1.102;

The structure of T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn, PDB code: 7nf0 was solved by A.Saaret, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.50 / 1.35
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.593, 74.593, 345.772, 90, 90, 120
R / Rfree (%)	16.6 / 18.4

The structure of T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn also contains other interesting chemical elements:

Potassium

(K)

4 atoms

The binding sites of Manganese atom in the T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn (pdb code 7nf0). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn, PDB code: 7nf0:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn705 b:8.8 occ:0.70 OE2 A:GLU243 2.1 9.9 1.0 ND2 A:ASN178 2.1 7.8 1.0 O A:HOH851 2.1 10.1 1.0 O9 A:BYN702 2.2 9.6 1.0 O A:HOH915 2.2 11.8 1.0 ND1 A:HIS201 2.3 9.6 1.0 CG A:ASN178 3.2 9.8 1.0 CD A:GLU243 3.2 9.5 1.0 CE1 A:HIS201 3.2 10.3 1.0 P1 A:BYN702 3.4 9.3 1.0 CG A:HIS201 3.4 9.0 1.0 OD1 A:ASN178 3.5 11.7 1.0 OE1 A:GLU243 3.5 10.4 1.0 O10 A:BYN702 3.6 10.3 1.0 K A:K704 3.7 10.5 1.0 CB A:HIS201 3.8 9.6 1.0 O8 A:BYN702 4.3 9.7 1.0 CG1 A:ILE237 4.3 12.1 1.0 O A:ILE237 4.3 10.7 1.0 NE2 A:HIS201 4.4 11.4 1.0 CZ2 A:TRP176 4.4 12.6 1.0 O A:VAL241 4.4 12.9 1.0 CB A:ASN178 4.5 9.9 1.0 O7 A:BYN702 4.5 9.4 1.0 CG A:GLU243 4.5 10.7 1.0 CD2 A:HIS201 4.5 10.5 1.0 O A:TRP179 4.7 9.3 1.0 O A:PRO238 4.7 14.0 1.0 NE1 A:TRP176 4.8 11.8 1.0

Manganese binding site 2 out of 2 in the T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of T. Atroviride Fdc Variant Tafdcv in Complex with Hydroxylated Prfmn within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn705 b:12.7 occ:0.70 O8 B:BYN702 2.1 12.3 1.0 ND2 B:ASN178 2.1 10.9 1.0 OE2 B:GLU243 2.2 15.3 1.0 O B:HOH818 2.2 13.8 1.0 O B:HOH880 2.2 15.2 1.0 ND1 B:HIS201 2.3 13.2 1.0 CG B:ASN178 3.1 14.0 1.0 CE1 B:HIS201 3.1 14.4 1.0 CD B:GLU243 3.2 15.4 1.0 P1 B:BYN702 3.4 12.9 1.0 CG B:HIS201 3.4 12.2 1.0 OD1 B:ASN178 3.4 17.1 1.0 OE1 B:GLU243 3.5 14.2 1.0 O9 B:BYN702 3.6 13.7 1.0 K B:K704 3.7 14.8 1.0 CB B:HIS201 3.8 12.6 1.0 O10 B:BYN702 4.2 12.8 1.0 O B:ILE237 4.3 15.6 1.0 CG1 B:ILE237 4.3 17.1 1.0 CZ2 B:TRP176 4.3 17.4 1.0 NE2 B:HIS201 4.4 15.2 1.0 O7 B:BYN702 4.4 12.9 1.0 CB B:ASN178 4.4 13.7 1.0 O B:VAL241 4.5 19.9 1.0 CD2 B:HIS201 4.5 14.1 1.0 CG B:GLU243 4.5 14.4 1.0 NE1 B:TRP176 4.6 16.9 1.0 O B:TRP179 4.6 12.8 1.0 O B:PRO238 4.7 17.3 1.0 CE2 B:TRP176 4.8 16.1 1.0 CA B:ASN178 5.0 13.5 1.0

A.Saaret, B.Villiers, F.Stricher, M.Anissimova, M.Cadillon, R.Spiess, S.Hay, D.Leys. Directed Evolution of Prenylated Fmn-Dependent Fdc Supports Efficient in Vivo Isobutene Production Nat Commun 2021.
ISSN: ESSN 2041-1723