Manganese in PDB 4u9n: Structure of A Membrane Protein

The structure of Structure of A Membrane Protein, PDB code: 4u9n was solved by H.Takeda, M.Hattori, T.Nishizawa, K.Yamashita, S.T.A.Shah, M.Caffrey, A.D.Maturana, R.Ishitani, O.Nureki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.71 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.521, 70.681, 103.327, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 24

The binding sites of Manganese atom in the Structure of A Membrane Protein (pdb code 4u9n). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Structure of A Membrane Protein, PDB code: 4u9n:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Structure of A Membrane Protein


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of A Membrane Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:30.2 occ:1.00 O A:HOH610 2.0 29.7 1.0 O B:HOH606 2.2 28.7 1.0 O A:HOH611 2.2 30.2 1.0 O B:HOH608 2.2 33.1 1.0 O B:HOH607 2.2 28.9 1.0 O A:HOH612 2.3 27.9 1.0 O B:HOH612 3.9 28.1 1.0 O A:HOH615 3.9 29.4 1.0 O B:HOH611 3.9 30.2 1.0 O B:HOH627 3.9 31.7 1.0 O A:HOH644 4.0 36.2 1.0 OD2 A:ASP432 4.2 40.3 1.0 OD1 B:ASP432 4.2 37.4 1.0 OD1 A:ASP432 4.3 34.1 1.0 OD2 B:ASP432 4.3 35.7 1.0 CG A:ASP432 4.7 40.1 1.0 CG B:ASP432 4.7 39.0 1.0 CA A:GLY325 4.8 25.8 1.0 CB A:ALA428 4.8 36.5 1.0 CA B:GLY325 4.8 23.8 1.0 O A:HOH617 4.8 37.8 1.0 O B:HOH628 4.9 39.4 1.0

Manganese binding site 2 out of 4 in the Structure of A Membrane Protein


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of A Membrane Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn502 b:65.3 occ:1.00 O A:HOH602 2.3 48.7 1.0 OE1 A:GLU311 2.6 58.9 1.0 O B:GLU311 2.7 48.5 1.0 OE2 A:GLU311 2.8 64.5 1.0 CD A:GLU311 3.1 56.4 1.0 C B:GLU311 3.6 44.1 1.0 CA B:GLU311 3.9 46.3 1.0 CB B:GLU311 4.5 47.8 1.0 CG A:GLU311 4.6 47.8 1.0 O B:LEU310 4.7 42.7 1.0 N B:ALA312 4.9 44.0 1.0 CB B:THR314 5.0 51.7 1.0

Manganese binding site 3 out of 4 in the Structure of A Membrane Protein


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Structure of A Membrane Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn501 b:55.4 occ:1.00 O A:HOH613 2.0 58.7 1.0 NE2 B:HIS383 2.2 38.7 1.0 O B:HOH609 2.4 49.6 1.0 O A:HOH614 2.4 48.7 1.0 O B:HOH610 2.6 53.6 1.0 OE1 A:GLN304 2.9 49.4 1.0 CD2 B:HIS383 3.1 38.0 1.0 CE1 B:HIS383 3.2 35.1 1.0 NE2 A:GLN304 3.4 43.6 1.0 CD A:GLN304 3.6 49.0 1.0 OE2 A:GLU307 4.3 46.1 1.0 CG B:HIS383 4.3 42.2 1.0 ND1 B:HIS383 4.3 37.8 1.0 O B:ASP381 4.4 43.0 1.0 CE2 B:PHE318 4.6 34.1 1.0 O B:GLY382 4.8 43.7 1.0

Manganese binding site 4 out of 4 in the Structure of A Membrane Protein


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Structure of A Membrane Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn502 b:64.4 occ:1.00 OE2 B:GLU307 2.0 56.6 1.0 OE1 B:GLU311 2.1 55.6 1.0 O B:HOH603 2.3 56.0 1.0 O B:HOH605 2.4 65.1 1.0 O B:HOH604 2.4 57.1 1.0 O B:HOH601 2.6 52.7 1.0 CD B:GLU311 2.8 53.3 1.0 OE2 B:GLU311 2.9 59.9 1.0 CD B:GLU307 3.2 50.4 1.0 CG B:GLU307 3.9 46.8 1.0 OE1 B:GLU307 4.1 60.3 1.0 CG B:GLU311 4.2 47.5 1.0 O A:HOH608 4.8 43.3 1.0

H.Takeda, M.Hattori, T.Nishizawa, K.Yamashita, S.T.Shah, M.Caffrey, A.D.Maturana, R.Ishitani, O.Nureki. Structural Basis For Ion Selectivity Revealed By High-Resolution Crystal Structure of Mg(2+) Channel Mgte Nat Commun V. 5 5374 2014.
ISSN: ESSN 2041-1723
PubMed: 25367295
DOI: 10.1038/NCOMMS6374