Magnesium in PDB 7twa: Crystal Structure of Apo Besc From Streptomyces Cattleya

The structure of Crystal Structure of Apo Besc From Streptomyces Cattleya, PDB code: 7twa was solved by M.E.Neugebauer, M.J.Mcbride, A.K.Boal, M.C.Y.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	126.75 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.917, 68.977, 126.748, 90, 89.99, 90
R / Rfree (%)	19.9 / 24.7

The structure of Crystal Structure of Apo Besc From Streptomyces Cattleya also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Apo Besc From Streptomyces Cattleya (pdb code 7twa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Apo Besc From Streptomyces Cattleya, PDB code: 7twa:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Apo Besc From Streptomyces Cattleya


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 Apo Besc From Streptomyces Cattleya within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:14.8 occ:1.00 OE2 A:GLU71 2.3 18.8 1.0 O A:ILE130 2.4 19.6 1.0 O A:HOH439 2.4 19.3 1.0 O A:HOH538 2.6 20.7 1.0 O A:HOH566 2.6 19.7 1.0 O A:HOH464 2.7 21.4 1.0 C A:ILE130 3.3 17.1 1.0 CD A:GLU71 3.5 16.0 1.0 CA A:ILE130 3.9 17.1 1.0 OH A:TYR192 4.0 16.2 1.0 CB A:ILE130 4.0 15.7 1.0 OE1 A:GLU71 4.3 18.2 1.0 N A:GLY131 4.4 21.3 1.0 CG A:GLU71 4.4 18.1 1.0 O A:HOH502 4.5 21.6 1.0 CG1 A:ILE130 4.6 18.1 1.0 CA A:GLY131 4.6 19.5 1.0 CB A:GLU71 4.7 15.4 1.0 CA A:PRO68 4.9 19.5 1.0 CD1 A:ILE130 4.9 16.5 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Apo Besc From Streptomyces Cattleya


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 Apo Besc From Streptomyces Cattleya within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:14.7 occ:1.00 OE1 B:GLU71 2.2 19.7 1.0 O B:HOH516 2.4 19.9 1.0 O B:HOH415 2.4 24.7 1.0 O B:ILE130 2.5 17.9 1.0 O B:HOH561 2.5 21.2 1.0 O B:HOH598 3.1 26.4 1.0 C B:ILE130 3.4 18.1 1.0 CD B:GLU71 3.5 13.5 1.0 CA B:ILE130 4.0 18.4 1.0 CB B:ILE130 4.0 17.7 1.0 OH B:TYR192 4.1 14.6 1.0 CG B:GLU71 4.3 14.2 1.0 OE2 B:GLU71 4.3 16.9 1.0 O B:HOH502 4.3 17.0 1.0 N B:GLY131 4.4 19.3 1.0 O B:HOH558 4.5 22.8 1.0 CB B:GLU71 4.5 13.9 1.0 CA B:PRO68 4.6 16.3 1.0 CA B:GLY131 4.7 19.6 1.0 O B:HOH519 4.7 15.9 1.0 CG1 B:ILE130 4.7 18.0 1.0 CB B:PRO68 4.8 19.0 1.0 O B:PRO68 4.8 18.2 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Apo Besc From Streptomyces Cattleya


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 Apo Besc From Streptomyces Cattleya within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg302 b:16.6 occ:1.00 OE2 C:GLU71 2.4 18.5 1.0 O C:HOH543 2.4 20.1 1.0 O C:HOH517 2.4 21.5 1.0 O C:HOH467 2.5 19.5 1.0 O C:HOH508 2.5 21.1 1.0 O C:ILE130 2.6 20.4 1.0 C C:ILE130 3.5 17.3 1.0 CD C:GLU71 3.6 14.9 1.0 O D:HOH603 4.1 21.2 1.0 CA C:ILE130 4.1 18.1 1.0 CB C:ILE130 4.1 16.4 1.0 OH C:TYR192 4.2 15.3 1.0 O C:HOH556 4.2 25.2 1.0 O C:HOH501 4.2 20.9 1.0 CG C:GLU71 4.3 14.7 1.0 N C:GLY131 4.5 20.3 1.0 OE1 C:GLU71 4.5 16.9 1.0 CA C:PRO68 4.5 17.9 1.0 CB C:GLU71 4.6 14.2 1.0 O D:HOH550 4.7 21.0 1.0 O C:PRO68 4.7 17.3 1.0 CB C:PRO68 4.7 18.4 1.0 CA C:GLY131 4.8 19.7 1.0 CG1 C:ILE130 4.9 18.6 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Apo Besc From Streptomyces Cattleya


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Apo Besc From Streptomyces Cattleya within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg403 b:14.1 occ:1.00 OE1 D:GLU71 2.3 18.3 1.0 O D:ILE130 2.4 17.7 1.0 O D:HOH544 2.4 20.8 1.0 O D:HOH661 2.4 21.2 1.0 O D:HOH643 2.5 20.3 1.0 O D:HOH589 2.5 18.4 1.0 C D:ILE130 3.4 16.9 1.0 CD D:GLU71 3.6 13.8 1.0 CA D:ILE130 4.0 17.1 1.0 CB D:ILE130 4.0 15.1 1.0 O D:HOH646 4.1 23.6 1.0 OH D:TYR192 4.1 18.5 1.0 O D:HOH579 4.2 24.6 1.0 OE2 D:GLU71 4.4 19.0 1.0 N D:GLY131 4.4 19.9 1.0 CG D:GLU71 4.5 14.3 1.0 CA D:GLY131 4.6 17.8 1.0 CG1 D:ILE130 4.7 17.9 1.0 CB D:GLU71 4.8 14.6 1.0 CA D:PRO68 4.9 20.1 1.0 O D:PRO68 4.9 16.1 1.0

M.J.Mcbride, M.A.Nair, D.Sil, J.W.Slater, M.E.Neugebauer, M.C.Y.Chang, A.K.Boal, C.Krebs, J.M.Bollinger Jr.. Substrate-Triggered Mu-Peroxodiiron(III) Intermediate in the 4-Chloro-L-Lysine-Fragmenting Heme-Oxygenase-Like Diiron Oxidase (Hdo) Besc: Substrate Dissociation From, and C4 Targeting By, the Intermediate. Biochemistry V. 61 689 2022.
ISSN: ISSN 0006-2960
PubMed: 35380785
DOI: 10.1021/ACS.BIOCHEM.1C00774