Manganese in PDB 7ney: Structure of T. Atroviride Fdc Wild-Type (Tafdc) in Complex with Prfmn

All present enzymatic activity of Structure of T. Atroviride Fdc Wild-Type (Tafdc) in Complex with Prfmn:
4.1.1.102;

The structure of Structure of T. Atroviride Fdc Wild-Type (Tafdc) in Complex with Prfmn, PDB code: 7ney 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)	63.19 / 1.74
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.212, 74.212, 346.561, 90, 90, 120
R / Rfree (%)	18.2 / 21.5

The structure of Structure of T. Atroviride Fdc Wild-Type (Tafdc) in Complex with Prfmn also contains other interesting chemical elements:

Potassium

(K)

4 atoms

The binding sites of Manganese atom in the Structure of T. Atroviride Fdc Wild-Type (Tafdc) in Complex with Prfmn (pdb code 7ney). 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 T. Atroviride Fdc Wild-Type (Tafdc) in Complex with Prfmn, PDB code: 7ney:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of T. Atroviride Fdc Wild-Type (Tafdc) in Complex with Prfmn


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of T. Atroviride Fdc Wild-Type (Tafdc) in Complex with Prfmn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn604 b:21.4 occ:1.00 O A:HOH824 2.2 18.9 1.0 O2P A:4LU601 2.2 18.5 1.0 ND2 A:ASN178 2.2 15.9 1.0 O A:HOH720 2.3 18.0 1.0 OE2 A:GLU243 2.3 19.3 1.0 ND1 A:HIS201 2.3 20.3 1.0 CE1 A:HIS201 3.2 19.0 1.0 CG A:ASN178 3.2 16.4 1.0 CD A:GLU243 3.3 20.4 1.0 P A:4LU601 3.4 19.0 1.0 CG A:HIS201 3.4 19.2 1.0 OD1 A:ASN178 3.5 19.8 1.0 OE1 A:GLU243 3.6 18.3 1.0 O3P A:4LU601 3.6 20.7 1.0 CB A:HIS201 3.7 19.0 1.0 K A:K602 3.7 34.3 1.0 O1P A:4LU601 4.3 20.1 1.0 CZ2 A:TRP176 4.3 21.5 1.0 CG1 A:ILE237 4.4 24.4 1.0 O A:ILE237 4.4 20.9 1.0 NE2 A:HIS201 4.4 20.7 1.0 CD2 A:HIS201 4.5 20.9 1.0 O5' A:4LU601 4.5 18.8 1.0 CB A:ASN178 4.5 18.5 1.0 O A:VAL241 4.5 21.6 1.0 CG A:GLU243 4.6 21.2 1.0 O A:PRO238 4.7 25.7 1.0 O A:TRP179 4.7 16.6 1.0 NE1 A:TRP176 4.8 21.9 1.0 CE2 A:TRP176 4.9 22.8 1.0

Manganese binding site 2 out of 2 in the Structure of T. Atroviride Fdc Wild-Type (Tafdc) in Complex with Prfmn


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of T. Atroviride Fdc Wild-Type (Tafdc) in Complex with Prfmn within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn604 b:23.2 occ:1.00 O2P B:4LU601 2.2 23.1 1.0 ND2 B:ASN178 2.2 18.9 1.0 OE2 B:GLU243 2.2 21.9 1.0 ND1 B:HIS201 2.2 22.1 1.0 O B:HOH720 2.3 19.6 1.0 O B:HOH707 2.3 19.2 1.0 CE1 B:HIS201 3.1 22.7 1.0 CG B:ASN178 3.2 21.5 1.0 CD B:GLU243 3.2 24.4 1.0 P B:4LU601 3.4 20.1 1.0 CG B:HIS201 3.4 20.6 1.0 OE1 B:GLU243 3.5 20.6 1.0 OD1 B:ASN178 3.5 24.0 1.0 O3P B:4LU601 3.6 21.6 1.0 CB B:HIS201 3.8 18.2 1.0 K B:K603 3.8 37.1 1.0 CG1 B:ILE237 4.3 25.2 1.0 NE2 B:HIS201 4.3 20.6 1.0 O1P B:4LU601 4.3 18.3 1.0 O B:ILE237 4.4 21.0 1.0 CZ2 B:TRP176 4.4 21.4 1.0 O B:VAL241 4.4 24.9 1.0 CD2 B:HIS201 4.4 22.6 1.0 O5' B:4LU601 4.5 21.0 1.0 CB B:ASN178 4.5 19.1 1.0 CG B:GLU243 4.6 25.6 1.0 NE1 B:TRP176 4.6 21.9 1.0 O B:PRO238 4.7 27.6 1.0 O B:TRP179 4.7 20.0 1.0 CE2 B:TRP176 4.9 21.7 1.0 CD1 B:ILE237 5.0 26.2 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