Manganese in PDB 6ktb: Crystal Structure of B. Halodurans Mntr in Apo Form

The structure of Crystal Structure of B. Halodurans Mntr in Apo Form, PDB code: 6ktb was solved by J.Y.Lee, M.Y.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.20 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.528, 89.370, 109.945, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.8

The structure of Crystal Structure of B. Halodurans Mntr in Apo Form also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Manganese atom in the Crystal Structure of B. Halodurans Mntr in Apo Form (pdb code 6ktb). 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 B. Halodurans Mntr in Apo Form, PDB code: 6ktb:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of B. Halodurans Mntr in Apo Form


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 B. Halodurans Mntr in Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn202 b:51.0 occ:1.00 OE2 B:GLU11 2.4 41.2 1.0 OE1 B:GLU11 2.6 34.3 1.0 OE1 B:GLU102 2.6 34.7 1.0 ND1 B:HIS77 2.6 30.3 1.0 O B:HOH311 2.6 44.9 1.0 OE2 B:GLU102 2.8 41.4 1.0 CD B:GLU11 2.8 36.7 1.0 OE2 B:GLU99 3.0 52.4 1.0 CD B:GLU102 3.0 38.8 1.0 CG B:HIS77 3.4 23.0 1.0 CE1 B:HIS77 3.5 30.8 1.0 CB B:HIS77 3.6 21.7 1.0 O B:HOH304 3.9 35.2 1.0 CD B:GLU99 4.2 58.9 1.0 O B:HOH324 4.2 37.2 1.0 CG B:GLU11 4.3 28.4 1.0 O B:HOH309 4.4 27.7 1.0 MN B:MN203 4.5 63.9 1.0 CG B:GLU102 4.6 35.2 1.0 CD2 B:HIS77 4.6 26.8 1.0 NE2 B:HIS77 4.6 31.7 1.0 CG B:GLU99 4.6 48.7 1.0 O B:HOH317 4.8 35.7 1.0 CA B:HIS77 4.8 26.4 1.0 OD1 B:ASP8 4.8 38.7 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of B. Halodurans Mntr in Apo Form


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 B. Halodurans Mntr in Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn203 b:63.9 occ:1.00 OE2 B:GLU102 2.3 41.4 1.0 O B:HOH307 2.3 39.5 1.0 NE2 B:HIS103 2.4 33.1 1.0 OD1 B:ASP8 2.6 38.7 1.0 OE2 B:GLU99 3.0 52.4 1.0 CD2 B:HIS103 3.1 28.5 1.0 CD B:GLU99 3.2 58.9 1.0 OE1 B:GLU99 3.3 54.7 1.0 CG B:ASP8 3.3 31.9 1.0 CD B:GLU102 3.3 38.8 1.0 OD2 B:ASP8 3.4 34.9 1.0 O B:HOH311 3.4 44.9 1.0 O B:GLU99 3.5 42.1 1.0 CE1 B:HIS103 3.5 30.1 1.0 CG B:GLU102 3.8 35.2 1.0 CA B:GLU99 4.1 40.8 1.0 CG B:GLU99 4.2 48.7 1.0 C B:GLU99 4.2 42.7 1.0 CB B:GLU99 4.3 41.5 1.0 CG B:HIS103 4.3 30.3 1.0 OE1 B:GLU102 4.4 34.7 1.0 ND1 B:HIS103 4.5 28.4 1.0 MN B:MN202 4.5 51.0 1.0 O B:HOH304 4.5 35.2 1.0 CB B:ASP8 4.8 28.0 1.0

M.Y.Lee, D.W.Lee, H.K.Joo, K.H.Jeong, J.Y.Lee. Structural Analysis of the Manganese Transport Regulator Mntr From Bacillus Halodurans in Apo and Manganese Bound Forms. Plos One V. 14 24689 2019.
ISSN: ESSN 1932-6203
PubMed: 31738781
DOI: 10.1371/JOURNAL.PONE.0224689