Manganese in PDB 3ujp: Structure of Mntc Protein at 2.7A

The structure of Structure of Mntc Protein at 2.7A, PDB code: 3ujp was solved by M.Kanteev, N.Adir, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.80 / 2.70
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	127.520, 127.520, 89.730, 90.00, 90.00, 120.00
R / Rfree (%)	23.1 / 28.4

The structure of Structure of Mntc Protein at 2.7A also contains other interesting chemical elements:

Arsenic	(As)	4 atoms
Zinc	(Zn)	6 atoms

The binding sites of Manganese atom in the Structure of Mntc Protein at 2.7A (pdb code 3ujp). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Structure of Mntc Protein at 2.7A, PDB code: 3ujp:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Structure of Mntc Protein at 2.7A


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of Mntc Protein at 2.7A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1 b:56.7 occ:1.00 NE2 A:HIS154 1.9 56.3 1.0 OD2 A:ASP295 1.9 57.2 1.0 NE2 A:HIS89 2.2 63.4 1.0 OE1 A:GLU220 2.3 61.5 1.0 OE2 A:GLU220 2.4 62.0 1.0 CE1 A:HIS154 2.6 58.4 1.0 CD A:GLU220 2.7 62.8 1.0 CG A:ASP295 2.7 63.1 1.0 OD1 A:ASP295 2.9 61.6 1.0 CD2 A:HIS89 2.9 62.8 1.0 CD2 A:HIS154 3.1 65.0 1.0 OD1 A:ASN241 3.3 72.1 1.0 CE1 A:HIS89 3.3 62.6 1.0 ND1 A:HIS154 3.8 66.2 1.0 O A:HOH334 4.0 60.3 1.0 CG A:HIS154 4.1 62.4 1.0 CG A:HIS89 4.1 61.6 1.0 CB A:ALA222 4.2 57.3 1.0 CG A:GLU220 4.2 62.9 1.0 CB A:ASP295 4.2 62.5 1.0 ND1 A:HIS89 4.3 59.8 1.0 CG A:ASN241 4.5 67.8 1.0 CD1 A:LEU114 4.8 56.9 1.0 CB A:GLU220 4.9 61.4 1.0 CD1 A:ILE88 4.9 68.7 1.0

Manganese binding site 2 out of 3 in the Structure of Mntc Protein at 2.7A


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of Mntc Protein at 2.7A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1 b:64.6 occ:1.00 CE1 B:HIS89 1.9 70.4 1.0 NE2 B:HIS89 1.9 66.2 1.0 NE2 B:HIS154 2.0 60.2 1.0 OE1 B:GLU220 2.2 80.8 1.0 OD1 B:ASP295 2.3 62.3 1.0 OD2 B:ASP295 2.3 72.7 1.0 OE2 B:GLU220 2.5 79.0 1.0 CG B:ASP295 2.7 68.2 1.0 CD B:GLU220 2.7 81.4 1.0 CD2 B:HIS154 2.9 64.5 1.0 CE1 B:HIS154 3.0 66.6 1.0 ND1 B:HIS89 3.2 77.2 1.0 CD2 B:HIS89 3.3 64.8 1.0 CG B:HIS89 3.9 69.9 1.0 OD1 B:ASN241 4.0 81.9 1.0 CG B:HIS154 4.0 63.1 1.0 ND1 B:HIS154 4.1 63.0 1.0 CB B:ASP295 4.2 72.1 1.0 ND2 B:ASN241 4.2 73.2 1.0 CG B:ASN241 4.2 83.3 1.0 CG B:GLU220 4.2 86.5 1.0 CB B:ALA222 4.5 70.1 1.0 CD1 B:LEU114 4.8 64.8 1.0 CD1 B:ILE88 4.9 65.6 1.0 CB B:GLU220 5.0 87.2 1.0 CA B:ASP295 5.0 68.6 1.0

Manganese binding site 3 out of 3 in the Structure of Mntc Protein at 2.7A


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Structure of Mntc Protein at 2.7A within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn1 b:85.9 occ:1.00 NE2 C:HIS89 1.4 85.0 1.0 OE2 C:GLU220 1.7 96.9 1.0 NE2 C:HIS154 1.8 83.1 1.0 CE1 C:HIS89 1.9 82.7 1.0 OE1 C:GLU220 1.9 94.0 1.0 CD C:GLU220 2.1 97.1 1.0 OD2 C:ASP295 2.2 91.5 1.0 OD1 C:ASP295 2.4 88.5 1.0 CG C:ASP295 2.6 91.5 1.0 CD2 C:HIS154 2.7 85.7 1.0 CD2 C:HIS89 2.7 84.9 1.0 CE1 C:HIS154 2.9 85.1 1.0 ND1 C:HIS89 3.1 78.6 1.0 CG C:HIS89 3.5 82.5 1.0 CG C:GLU220 3.6 98.0 1.0 CB C:ALA222 3.8 91.3 1.0 CG C:HIS154 3.9 84.5 1.0 ND1 C:HIS154 3.9 84.5 1.0 ND2 C:ASN241 3.9 90.1 1.0 CB C:ASP295 4.1 88.9 1.0 CG C:ASN241 4.3 92.8 1.0 CB C:GLU220 4.4 99.5 1.0 OD1 C:ASN241 4.5 91.5 1.0 CD1 C:LEU114 4.9 79.2 1.0 CA C:ASP295 5.0 85.0 1.0

M.Kanteev, N.Adir. Arginine 116 Stabilizes the Entrance to the Metal Ion-Binding Site of the Mntc Protein. Acta Crystallogr.,Sect.F V. 69 237 2013.
ISSN: ESSN 1744-3091
PubMed: 23519795
DOI: 10.1107/S174430911300153X