Manganese in PDB 8uyr: Manganese-Substituted Ditz From Rhodococcus Rhodochrous

The structure of Manganese-Substituted Ditz From Rhodococcus Rhodochrous, PDB code: 8uyr was solved by C.Liu, S.Chen, J.Rittle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.44 / 1.82
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	63.744, 92.693, 145.122, 90, 99.94, 90
R / Rfree (%)	16.2 / 19.3

The structure of Manganese-Substituted Ditz From Rhodococcus Rhodochrous also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Manganese atom in the Manganese-Substituted Ditz From Rhodococcus Rhodochrous (pdb code 8uyr). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Manganese-Substituted Ditz From Rhodococcus Rhodochrous, PDB code: 8uyr:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Manganese-Substituted Ditz From Rhodococcus Rhodochrous


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Manganese-Substituted Ditz From Rhodococcus Rhodochrous within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn504 b:14.3 occ:1.00 OE1 A:GLU269 2.2 14.3 1.0 OD1 A:ASP338 2.2 11.9 1.0 NE2 A:HIS217 2.2 10.9 1.0 NE2 A:HIS14 2.2 16.2 1.0 OD2 A:ASP12 2.3 12.9 1.0 OD1 A:ASP12 2.3 12.7 1.0 CG A:ASP12 2.6 12.3 1.0 CE1 A:HIS217 3.1 14.0 1.0 CD2 A:HIS14 3.1 14.7 1.0 CE1 A:HIS14 3.2 17.1 1.0 CD2 A:HIS217 3.2 16.8 1.0 CG A:ASP338 3.3 15.4 1.0 CD A:GLU269 3.3 15.4 1.0 OD2 A:ASP338 3.8 15.1 1.0 MN A:MN505 3.8 14.4 0.9 CG A:GLU269 3.9 13.6 1.0 CB A:GLU269 3.9 14.2 1.0 CB A:ASP12 4.1 11.1 1.0 ND1 A:HIS217 4.2 15.8 1.0 OE2 A:GLU269 4.3 17.2 1.0 ND1 A:HIS14 4.3 14.4 1.0 CG A:HIS14 4.3 14.8 1.0 ND1 A:HIS341 4.3 14.8 1.0 CG A:HIS217 4.3 16.4 1.0 OE1 A:GLU336 4.3 13.3 1.0 CE1 A:HIS341 4.3 14.0 1.0 CB A:ASP338 4.4 10.4 1.0 O A:HOH811 4.5 16.7 1.0 C A:ASP12 4.7 13.9 1.0 O A:ASP12 4.7 13.3 1.0 CA A:ASP338 4.8 13.0 1.0 CA A:ASP12 4.9 13.7 1.0

Manganese binding site 2 out of 4 in the Manganese-Substituted Ditz From Rhodococcus Rhodochrous


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Manganese-Substituted Ditz From Rhodococcus Rhodochrous within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn505 b:14.4 occ:0.86 O A:HOH811 2.1 16.7 1.0 OD2 A:ASP338 2.1 15.1 1.0 O A:HOH624 2.2 14.8 1.0 ND1 A:HIS341 2.2 14.8 1.0 OE2 A:GLU269 2.2 17.2 1.0 OE1 A:GLU269 2.4 14.3 1.0 CD A:GLU269 2.6 15.4 1.0 CG A:ASP338 3.1 15.4 1.0 CE1 A:HIS341 3.1 14.0 1.0 CG A:HIS341 3.2 14.3 1.0 OD1 A:ASP338 3.3 11.9 1.0 CB A:HIS341 3.5 13.2 1.0 MN A:MN504 3.8 14.3 1.0 O A:HOH911 4.0 27.2 1.0 CG A:GLU269 4.1 13.6 1.0 NE2 A:HIS14 4.2 16.2 1.0 OD2 A:ASP343 4.2 20.3 1.0 NE2 A:HIS341 4.3 17.5 1.0 O A:HOH694 4.3 18.7 1.0 CD2 A:HIS341 4.3 15.3 1.0 O A:HOH701 4.4 25.8 1.0 CB A:ASP338 4.5 10.4 1.0 O A:HOH798 4.6 31.8 1.0 CB A:ASP343 4.6 20.2 1.0 CD2 A:HIS14 4.7 14.7 1.0 O A:HOH765 4.7 23.3 1.0 CE1 A:HIS217 4.8 14.0 1.0 CG A:ASP343 4.9 22.5 1.0 NE2 A:HIS217 4.9 10.9 1.0 CA A:HIS341 5.0 14.5 1.0

Manganese binding site 3 out of 4 in the Manganese-Substituted Ditz From Rhodococcus Rhodochrous


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Manganese-Substituted Ditz From Rhodococcus Rhodochrous within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn505 b:13.2 occ:0.98 OD1 B:ASP338 2.1 12.4 1.0 OE1 B:GLU269 2.1 13.1 1.0 OD2 B:ASP12 2.2 13.9 1.0 NE2 B:HIS217 2.2 12.5 1.0 NE2 B:HIS14 2.3 15.8 1.0 OD1 B:ASP12 2.3 12.5 1.0 CG B:ASP12 2.6 11.9 1.0 CG B:ASP338 3.2 16.8 1.0 CE1 B:HIS217 3.2 16.4 1.0 CD2 B:HIS14 3.2 14.6 1.0 CD2 B:HIS217 3.2 12.1 1.0 CE1 B:HIS14 3.2 15.3 1.0 CD B:GLU269 3.3 13.5 1.0 OD2 B:ASP338 3.8 14.9 1.0 MN B:MN506 3.8 16.2 0.9 CB B:GLU269 3.9 14.1 1.0 CG B:GLU269 3.9 15.5 1.0 CB B:ASP12 4.1 12.7 1.0 OE2 B:GLU269 4.3 17.4 1.0 ND1 B:HIS341 4.3 16.2 1.0 ND1 B:HIS217 4.3 14.8 1.0 ND1 B:HIS14 4.3 12.6 1.0 CB B:ASP338 4.4 11.0 1.0 OE2 B:GLU336 4.4 15.1 1.0 CE1 B:HIS341 4.4 16.1 1.0 CG B:HIS14 4.4 15.8 1.0 CG B:HIS217 4.4 13.8 1.0 O B:HOH804 4.5 17.0 1.0 C B:ASP12 4.7 14.4 1.0 CA B:ASP338 4.7 12.3 1.0 O B:ASP12 4.8 13.2 1.0 CA B:ASP12 4.9 10.7 1.0 N B:ASP13 4.9 12.8 1.0 O B:ASP13 5.0 13.9 1.0

Manganese binding site 4 out of 4 in the Manganese-Substituted Ditz From Rhodococcus Rhodochrous


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Manganese-Substituted Ditz From Rhodococcus Rhodochrous within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn506 b:16.2 occ:0.92 OD2 B:ASP338 2.1 14.9 1.0 ND1 B:HIS341 2.1 16.2 1.0 OE2 B:GLU269 2.2 17.4 1.0 O B:HOH804 2.2 17.0 1.0 O B:HOH607 2.2 14.9 1.0 OE1 B:GLU269 2.3 13.1 1.0 CD B:GLU269 2.6 13.5 1.0 CG B:ASP338 3.1 16.8 1.0 CE1 B:HIS341 3.1 16.1 1.0 CG B:HIS341 3.2 14.7 1.0 OD1 B:ASP338 3.3 12.4 1.0 CB B:HIS341 3.5 14.4 1.0 MN B:MN505 3.8 13.2 1.0 CG B:GLU269 4.1 15.5 1.0 NE2 B:HIS341 4.2 16.1 1.0 OD2 B:ASP343 4.2 17.8 1.0 NE2 B:HIS14 4.2 15.8 1.0 O B:HOH797 4.2 25.8 1.0 CD2 B:HIS341 4.3 16.0 1.0 O B:HOH801 4.3 17.6 1.0 CB B:ASP338 4.5 11.0 1.0 CB B:ASP343 4.7 15.0 1.0 CD2 B:HIS14 4.7 14.6 1.0 CE1 B:HIS217 4.7 16.4 1.0 NE2 B:HIS217 4.9 12.5 1.0 O B:HOH816 4.9 19.2 1.0 CG B:ASP343 4.9 20.6 1.0

S.Chen, C.Liu, J.Rittle. A Widespread, Diiron-Dependent Diterpenoid Hydroxylase To Be Published.