Magnesium in PDB 7ag6: Crystal Structure of Sf Kinase Yihv From E. Coli in Complex with Sulfofructose (Sf), Adp-Mg

All present enzymatic activity of Crystal Structure of Sf Kinase Yihv From E. Coli in Complex with Sulfofructose (Sf), Adp-Mg:
2.7.1.184;

The structure of Crystal Structure of Sf Kinase Yihv From E. Coli in Complex with Sulfofructose (Sf), Adp-Mg, PDB code: 7ag6 was solved by M.Sharma, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.17 / 2.08
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	94.88, 94.88, 167.43, 90, 90, 120
R / Rfree (%)	20.1 / 23.7

The binding sites of Magnesium atom in the Crystal Structure of Sf Kinase Yihv From E. Coli in Complex with Sulfofructose (Sf), Adp-Mg (pdb code 7ag6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Sf Kinase Yihv From E. Coli in Complex with Sulfofructose (Sf), Adp-Mg, PDB code: 7ag6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Sf Kinase Yihv From E. Coli in Complex with Sulfofructose (Sf), Adp-Mg


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 Sf Kinase Yihv From E. Coli in Complex with Sulfofructose (Sf), Adp-Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:60.5 occ:1.00 O1A A:ADP401 1.9 53.4 1.0 O A:HOH502 2.1 56.2 1.0 O A:HOH559 2.1 51.3 1.0 O A:HOH538 2.1 56.6 1.0 O A:HOH503 2.2 49.7 1.0 O A:HOH553 2.2 47.8 1.0 PA A:ADP401 3.3 50.4 1.0 O1B A:ADP401 3.5 53.2 1.0 O3B A:ADP401 3.7 65.4 1.0 O3A A:ADP401 3.9 54.3 1.0 PB A:ADP401 4.0 54.8 1.0 OG1 A:THR239 4.0 48.6 1.0 O5' A:ADP401 4.1 49.5 1.0 CB A:THR239 4.2 54.6 1.0 O A:HOH544 4.2 63.3 1.0 N7 A:ADP401 4.4 52.7 1.0 O2A A:ADP401 4.4 51.5 1.0 O A:THR239 4.4 52.2 1.0 CA A:GLY214 4.4 51.0 1.0 O A:HOH501 4.4 57.1 1.0 NE A:ARG105 4.6 61.3 1.0 C8 A:ADP401 4.6 54.7 1.0 CZ A:ARG105 4.7 65.7 1.0 O A:HOH557 4.8 46.7 1.0 NH1 A:ARG105 4.9 63.8 1.0 CB A:ALA242 4.9 50.2 1.0 O A:HOH528 4.9 53.5 1.0 N A:GLY214 5.0 47.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Sf Kinase Yihv From E. Coli in Complex with Sulfofructose (Sf), Adp-Mg


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 Sf Kinase Yihv From E. Coli in Complex with Sulfofructose (Sf), Adp-Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:62.2 occ:1.00 O B:HOH520 1.9 60.6 1.0 O2A B:ADP401 1.9 55.4 1.0 O B:HOH513 2.0 56.4 1.0 O B:HOH525 2.1 52.1 1.0 O B:HOH526 2.2 55.4 1.0 O B:HOH503 2.2 53.6 1.0 PA B:ADP401 3.4 55.0 1.0 O3B B:ADP401 3.6 63.4 1.0 O2B B:ADP401 3.8 52.9 1.0 OG1 B:THR239 4.0 52.5 1.0 O3A B:ADP401 4.1 58.7 1.0 PB B:ADP401 4.1 61.5 1.0 O5' B:ADP401 4.2 53.6 1.0 O B:HOH501 4.2 57.6 1.0 CB B:THR239 4.2 58.4 1.0 CA B:GLY214 4.3 56.0 1.0 O1A B:ADP401 4.4 50.8 1.0 N7 B:ADP401 4.4 57.7 1.0 NE B:ARG105 4.5 64.5 1.0 O B:THR239 4.5 56.5 1.0 C8 B:ADP401 4.6 63.9 1.0 O B:HOH523 4.7 52.5 1.0 CZ B:ARG105 4.7 58.9 1.0 NH1 B:ARG105 4.7 64.4 1.0 N B:GLY214 4.9 53.4 1.0 CB B:ALA242 5.0 53.5 1.0

M.Sharma, P.Abayakoon, R.Epa, Y.Jin, J.P.Lingford, T.Shimada, M.Nakano, J.W.Mui, A.Ishihama, E.D.Goddard-Borger, G.J.Davies, S.J.Williams. Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis. Acs Cent.Sci. V. 7 476 2021.
ISSN: ESSN 2374-7951
PubMed: 33791429
DOI: 10.1021/ACSCENTSCI.0C01285