Magnesium in PDB 6jj8: Crystal Structure of OSHXK6-Atp-MG2+ Complex

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

The structure of Crystal Structure of OSHXK6-Atp-MG2+ Complex, PDB code: 6jj8 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)	48.62 / 2.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	131.989, 131.989, 185.012, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 24.7

The binding sites of Magnesium atom in the Crystal Structure of OSHXK6-Atp-MG2+ Complex (pdb code 6jj8). 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-Atp-MG2+ Complex, PDB code: 6jj8:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of OSHXK6-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-Atp-MG2+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg603 b:24.3 occ:1.00 O2A C:ADP601 2.0 38.5 1.0 PA C:ADP601 3.5 29.7 1.0 OD1 C:ASP486 3.5 31.4 1.0 OE1 C:GLU136 3.7 23.2 1.0 ND2 C:ASN114 3.8 27.9 1.0 OD2 C:ASP486 4.2 31.2 1.0 CG C:ASP486 4.3 19.3 1.0 O1A C:ADP601 4.3 38.5 1.0 O5' C:ADP601 4.3 22.7 1.0 O3A C:ADP601 4.4 40.3 1.0 CD C:GLU136 4.4 16.1 1.0 OE2 C:GLU136 4.5 14.7 1.0 CG C:ASN114 4.5 16.4 1.0 OD1 C:ASN114 4.5 19.8 1.0 OD1 C:ASN485 4.6 26.4 1.0 C5' C:ADP601 4.8 24.3 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of OSHXK6-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-Atp-MG2+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:27.5 occ:1.00 O1A A:ADP601 2.1 20.7 1.0 OE1 A:GLU136 3.5 29.0 1.0 OD1 A:ASP486 3.6 35.5 1.0 PA A:ADP601 3.6 17.1 1.0 ND2 A:ASN114 4.1 27.5 1.0 OD2 A:ASP486 4.3 27.7 1.0 CG A:ASP486 4.3 25.1 1.0 CD A:GLU136 4.4 12.8 1.0 O2A A:ADP601 4.4 26.0 1.0 O3A A:ADP601 4.4 20.3 1.0 O5' A:ADP601 4.4 12.8 1.0 OE2 A:GLU136 4.5 14.4 1.0 OD1 A:ASN114 4.5 27.2 1.0 CG A:ASN114 4.5 17.1 1.0 ND2 A:ASN485 4.7 54.0 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of OSHXK6-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-Atp-MG2+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg603 b:26.0 occ:1.00 O2A B:ADP601 2.1 27.5 1.0 PA B:ADP601 3.5 15.2 1.0 OD1 B:ASP486 3.7 38.1 1.0 OE1 B:GLU136 4.0 48.5 1.0 ND2 B:ASN114 4.2 39.1 1.0 O1A B:ADP601 4.3 27.5 1.0 O5' B:ADP601 4.3 23.0 1.0 O3A B:ADP601 4.4 24.5 1.0 CG B:ASP486 4.6 37.9 1.0 OD1 B:ASN485 4.7 44.7 1.0 OD2 B:ASP486 4.7 46.3 1.0 CD B:GLU136 4.7 24.8 1.0 ND2 B:ASN485 4.7 52.4 1.0 OE2 B:GLU136 4.8 26.5 1.0 OD1 B:ASN114 4.8 31.7 1.0 CG B:ASN114 4.8 24.4 1.0 C5' B:ADP601 4.9 16.4 1.0

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