Magnesium in PDB 6hos: Structure of the KPFLO2 Adhesin Domain in Complex with Glycerol

The structure of Structure of the KPFLO2 Adhesin Domain in Complex with Glycerol, PDB code: 6hos was solved by L.-O.Essen, M.Kock, M.Veelders, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.41 / 2.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	79.943, 103.186, 72.099, 90.00, 113.51, 90.00
R / Rfree (%)	17.2 / 19.9

The structure of Structure of the KPFLO2 Adhesin Domain in Complex with Glycerol also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Structure of the KPFLO2 Adhesin Domain in Complex with Glycerol (pdb code 6hos). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of the KPFLO2 Adhesin Domain in Complex with Glycerol, PDB code: 6hos:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of the KPFLO2 Adhesin Domain in Complex with Glycerol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the KPFLO2 Adhesin Domain in Complex with Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg308 b:54.5 occ:1.00 OE1 A:GLU133 2.2 83.8 1.0 CD A:GLU133 3.0 76.3 1.0 OE2 A:GLU133 3.2 83.1 1.0 CG A:GLU133 4.2 68.5 1.0 O A:HOH485 4.4 70.5 1.0 O A:HOH428 5.0 54.3 1.0

Magnesium binding site 2 out of 4 in the Structure of the KPFLO2 Adhesin Domain in Complex with Glycerol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the KPFLO2 Adhesin Domain in Complex with Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg309 b:82.3 occ:1.00 O A:HOH406 2.0 82.3 1.0 O A:HOH467 2.1 81.1 1.0 O A:HOH478 2.3 71.3 1.0 OD2 A:ASP55 2.3 77.9 1.0 O A:HOH436 2.4 68.3 1.0 NE2 A:HIS237 2.4 69.9 1.0 CE1 A:HIS237 2.7 71.0 1.0 CG A:ASP55 3.4 61.0 1.0 CD2 A:HIS237 3.7 67.9 1.0 OD1 A:ASP55 3.8 70.7 1.0 ND1 A:HIS237 4.0 67.2 1.0 O A:HOH490 4.4 84.6 1.0 CG A:HIS237 4.4 62.3 1.0 CB A:ASP55 4.5 46.9 1.0 OD1 A:ASN238 4.7 50.8 1.0 O A:HOH421 4.7 52.9 1.0 O A:HOH479 4.9 69.1 1.0

Magnesium binding site 3 out of 4 in the Structure of the KPFLO2 Adhesin Domain in Complex with Glycerol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of the KPFLO2 Adhesin Domain in Complex with Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg308 b:76.8 occ:1.00 OE1 B:GLU156 2.1 0.2 1.0 O B:HOH487 2.5 94.0 1.0 CD B:GLU156 3.0 90.5 1.0 OE2 B:GLU156 3.2 97.4 1.0 CG B:GLU156 4.4 70.6 1.0

Magnesium binding site 4 out of 4 in the Structure of the KPFLO2 Adhesin Domain in Complex with Glycerol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of the KPFLO2 Adhesin Domain in Complex with Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg309 b:81.5 occ:1.00 O B:HOH482 2.1 84.0 1.0 O B:HOH477 2.3 85.9 1.0 O A:HOH411 2.7 59.5 1.0 OE1 B:GLU170 3.2 72.7 1.0 O A:HOH487 4.0 59.4 1.0 CD B:GLU170 4.1 69.2 1.0 OE2 B:GLU170 4.2 73.2 1.0 OE2 B:GLU156 4.4 97.4 1.0

M.Kock, S.Bruckner, N.Wozniak, M.Maestre-Reyna, M.Veelders, J.Schlereth, H.U.Mosch, L.O.Essen. Structural and Functional Characterization of PA14/FLO5-Like Adhesins Fromkomagataella Pastoris. Front Microbiol V. 9 2581 2018.
ISSN: ESSN 1664-302X
PubMed: 30425696
DOI: 10.3389/FMICB.2018.02581