Magnesium in PDB 6jj9: Crystal Structure of OSHXK6-Glc-Atp-MG2+ Complex

All present enzymatic activity of Crystal Structure of OSHXK6-Glc-Atp-MG2+ Complex:
2.7.1.1;

The structure of Crystal Structure of OSHXK6-Glc-Atp-MG2+ Complex, PDB code: 6jj9 was solved by C.He, P.Wei, J.Chen, H.Wang, Y.Wan, J.Zhou, Y.Zhu, W.Huang, L.Yin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.07 / 3.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	131.120, 131.120, 186.192, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 24.2

The binding sites of Magnesium atom in the Crystal Structure of OSHXK6-Glc-Atp-MG2+ Complex (pdb code 6jj9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of OSHXK6-Glc-Atp-MG2+ Complex, PDB code: 6jj9:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of OSHXK6-Glc-Atp-MG2+ Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of OSHXK6-Glc-Atp-MG2+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg603 b:43.7 occ:1.00 O2A C:ADP601 2.3 27.1 1.0 PA C:ADP601 3.7 20.6 1.0 OD1 C:ASP486 3.8 48.1 1.0 OE1 C:GLU136 4.1 53.0 1.0 ND2 C:ASN114 4.1 54.7 1.0 O1A C:ADP601 4.1 35.2 1.0 O5' C:ADP601 4.4 15.8 1.0 OD2 C:ASP486 4.5 52.7 1.0 CG C:ASP486 4.5 44.3 1.0 O3A C:ADP601 4.6 19.3 1.0 OD1 C:ASN485 4.8 43.5 1.0 CG C:ASN114 4.9 30.1 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of OSHXK6-Glc-Atp-MG2+ Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of OSHXK6-Glc-Atp-MG2+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:41.1 occ:1.00 O1A A:ADP601 2.5 29.1 1.0 OD1 A:ASP486 3.4 40.1 1.0 OE1 A:GLU136 3.5 30.0 1.0 PA A:ADP601 3.9 18.9 1.0 OD1 A:ASN114 4.0 29.4 1.0 CG A:ASP486 4.3 41.3 1.0 CD A:GLU136 4.3 21.2 1.0 ND2 A:ASN114 4.3 26.6 1.0 OD2 A:ASP486 4.5 48.7 1.0 OE2 A:GLU136 4.5 33.1 1.0 CG A:ASN114 4.5 16.4 1.0 O2A A:ADP601 4.6 38.3 1.0 O3A A:ADP601 4.6 16.3 1.0 O5' A:ADP601 4.7 24.4 1.0 ND2 A:ASN485 4.8 53.4 1.0 O4 A:PO4602 4.9 27.1 1.0 OD1 A:ASN485 5.0 33.7 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of OSHXK6-Glc-Atp-MG2+ Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of OSHXK6-Glc-Atp-MG2+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg603 b:39.3 occ:1.00 OE1 E:GLU136 2.7 49.0 1.0 O2A E:ADP601 2.8 23.7 1.0 OD1 E:ASP486 3.1 57.2 1.0 CD E:GLU136 3.8 32.2 1.0 ND2 E:ASN114 4.0 43.5 1.0 CG E:ASP486 4.1 52.9 1.0 OD1 E:ASN114 4.1 38.6 1.0 PA E:ADP601 4.3 26.0 1.0 CG E:ASN114 4.3 26.6 1.0 OD2 E:ASP486 4.3 48.6 1.0 OE2 E:GLU136 4.4 46.3 1.0 O1A E:ADP601 4.9 56.9 1.0 CG E:GLU136 5.0 36.5 1.0 ND2 E:ASN485 5.0 49.4 1.0

C.He, P.Wei, J.Chen, H.Wang, Y.Wan, J.Zhou, Y.Zhu, W.Huang, L.Yin. Crystal Structure of OSHXK6-Glc-Atp-MG2+ Complex To Be Published.