Manganese in PDB 8epz: Crystal Structure of Fe-S Cluster-Dependent Dehydratase From Paralcaligenes Ureilyticus in Complex with Mn

The structure of Crystal Structure of Fe-S Cluster-Dependent Dehydratase From Paralcaligenes Ureilyticus in Complex with Mn, PDB code: 8epz was solved by T.Bayaraa, T.Lonhienne, L.W.Guddat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.11 / 2.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	96.639, 113.135, 182.891, 90, 90, 90
R / Rfree (%)	21 / 25.1

The structure of Crystal Structure of Fe-S Cluster-Dependent Dehydratase From Paralcaligenes Ureilyticus in Complex with Mn also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Manganese atom in the Crystal Structure of Fe-S Cluster-Dependent Dehydratase From Paralcaligenes Ureilyticus in Complex with Mn (pdb code 8epz). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Fe-S Cluster-Dependent Dehydratase From Paralcaligenes Ureilyticus in Complex with Mn, PDB code: 8epz:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Fe-S Cluster-Dependent Dehydratase From Paralcaligenes Ureilyticus in Complex with Mn


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Fe-S Cluster-Dependent Dehydratase From Paralcaligenes Ureilyticus in Complex with Mn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn602 b:71.8 occ:1.00 OE2 A:GLU89 1.9 82.6 1.0 OE1 A:GLU89 1.9 73.1 1.0 OQ1 A:KCX127 1.9 66.3 1.0 OE2 A:GLU449 2.1 72.9 1.0 CD A:GLU89 2.1 72.9 1.0 OD2 A:ASP126 2.3 78.4 1.0 O1 A:CO2603 2.4 64.3 1.0 CD A:GLU449 3.1 67.8 1.0 CX A:KCX127 3.2 65.7 1.0 C A:CO2603 3.2 65.7 1.0 CG A:ASP126 3.3 67.2 1.0 OE1 A:GLU449 3.3 68.5 1.0 CG A:GLU89 3.6 62.3 1.0 NZ A:KCX127 3.8 64.0 1.0 CB A:ASP126 3.9 68.6 1.0 OQ2 A:KCX127 3.9 61.3 1.0 ND2 A:ASN276 4.0 66.1 1.0 NH2 A:ARG474 4.0 61.9 1.0 O2 A:CO2603 4.1 56.9 1.0 OG1 A:THR203 4.2 51.7 1.0 OD1 A:ASP126 4.3 69.2 1.0 CB A:GLU89 4.4 63.3 1.0 CG A:GLU449 4.4 64.7 1.0 CB A:THR203 4.5 57.8 1.0 O A:HOH732 4.7 50.6 1.0 CD A:KCX127 4.9 58.7 1.0 CE A:KCX127 4.9 57.3 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Fe-S Cluster-Dependent Dehydratase From Paralcaligenes Ureilyticus in Complex with Mn


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Fe-S Cluster-Dependent Dehydratase From Paralcaligenes Ureilyticus in Complex with Mn within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn703 b:74.0 occ:1.00 OD1 B:ASP126 1.6 81.3 1.0 OE1 B:GLU89 1.9 70.2 1.0 OE2 B:GLU89 1.9 71.4 1.0 OE1 B:GLU449 2.0 75.1 1.0 O2 B:CO2704 2.0 66.2 1.0 CD B:GLU89 2.2 68.8 1.0 C B:CO2704 2.4 66.8 1.0 OQ1 B:KCX127 2.4 57.9 1.0 CG B:ASP126 2.9 62.1 1.0 CD B:GLU449 3.0 67.8 1.0 O1 B:CO2704 3.1 70.2 1.0 OE2 B:GLU449 3.4 69.8 1.0 CX B:KCX127 3.6 66.9 1.0 CG B:GLU89 3.6 53.9 1.0 OD2 B:ASP126 3.7 53.6 1.0 OG1 B:THR203 3.7 61.7 1.0 NZ B:KCX127 3.8 59.1 1.0 CB B:ASP126 3.8 53.8 1.0 CB B:THR203 4.1 53.1 1.0 ND2 B:ASN276 4.3 53.7 1.0 CG B:GLU449 4.3 64.8 1.0 CA B:SER476 4.3 66.7 1.0 CB B:SER476 4.4 69.8 1.0 CB B:GLU89 4.5 59.3 1.0 OQ2 B:KCX127 4.6 72.1 1.0 CG2 B:THR203 4.6 51.2 1.0 N B:GLY477 4.7 64.1 1.0 O A:HOH735 4.7 66.2 1.0 NH1 B:ARG474 4.8 61.8 1.0 O2 A:CO2604 5.0 64.6 1.0 CE B:KCX127 5.0 49.5 1.0

T.Bayaraa, T.Lonhienne, L.W.Guddat. Crystal Structure of Fe-S Cluster-Dependent Dehydratase From Paralcaligenes Ureilyticus in Complex with Mg To Be Published.