Magnesium in PDB 8vot: The Crystal Structure of Wild-Type CYP199A4 Bound to 4- (Hydroxymethyl)Benzoic Acid

The structure of The Crystal Structure of Wild-Type CYP199A4 Bound to 4- (Hydroxymethyl)Benzoic Acid, PDB code: 8vot was solved by M.N.Podgorski, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.20 / 1.53
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.227, 51.405, 79.502, 90, 91.91, 90
R / Rfree (%)	13.7 / 16.8

The structure of The Crystal Structure of Wild-Type CYP199A4 Bound to 4- (Hydroxymethyl)Benzoic Acid also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Magnesium atom in the The Crystal Structure of Wild-Type CYP199A4 Bound to 4- (Hydroxymethyl)Benzoic Acid (pdb code 8vot). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Crystal Structure of Wild-Type CYP199A4 Bound to 4- (Hydroxymethyl)Benzoic Acid, PDB code: 8vot:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Crystal Structure of Wild-Type CYP199A4 Bound to 4- (Hydroxymethyl)Benzoic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of Wild-Type CYP199A4 Bound to 4- (Hydroxymethyl)Benzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg504 b:19.3 occ:1.00 O A:HOH997 2.0 23.0 1.0 O A:HOH1004 2.1 22.4 1.0 O A:HOH651 2.1 19.5 1.0 OD1 A:ASN214 4.0 17.5 1.0 O A:HOH659 4.3 29.4 1.0 NZ A:LYS167 4.3 18.8 1.0

Magnesium binding site 2 out of 2 in the The Crystal Structure of Wild-Type CYP199A4 Bound to 4- (Hydroxymethyl)Benzoic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of Wild-Type CYP199A4 Bound to 4- (Hydroxymethyl)Benzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg505 b:27.4 occ:1.00 O A:HOH1037 2.1 35.6 1.0 O A:HOH1123 2.2 37.4 1.0 O A:HOH1049 2.2 30.1 1.0 O A:HOH663 2.3 21.5 1.0 O A:HOH1040 4.0 20.6 1.0 O A:HOH1009 4.2 24.4 1.0 OE1 A:GLN203 4.3 19.7 1.0 O A:TRP91 4.4 14.6 1.0 O A:HOH789 4.4 25.3 1.0 O A:HOH921 4.8 26.9 1.0 O A:HOH757 4.8 17.5 1.0

M.N.Podgorski, S.G.Bell. The Crystal Structure of Wild-Type CYP199A4 Bound to 4-(Hydroxymethyl)Benzoic Acid To Be Published.