Magnesium in PDB 7rwk: Structure of CAP5 From Asticcacaulis Sp.

The structure of Structure of CAP5 From Asticcacaulis Sp., PDB code: 7rwk was solved by R.H.Huang, S.Fatma, A.Chakravarti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.72 / 2.39
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.311, 96.922, 131.184, 90, 90, 90
R / Rfree (%)	19.3 / 23.5

The structure of Structure of CAP5 From Asticcacaulis Sp. also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Structure of CAP5 From Asticcacaulis Sp. (pdb code 7rwk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of CAP5 From Asticcacaulis Sp., PDB code: 7rwk:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of CAP5 From Asticcacaulis Sp.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of CAP5 From Asticcacaulis Sp. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:40.0 occ:1.00 OD1 A:ASP84 2.0 40.4 1.0 O A:HOH599 2.3 36.6 1.0 O A:HOH576 2.3 37.6 1.0 O A:HOH628 2.3 44.3 1.0 NE2 A:HIS80 2.8 37.7 1.0 CG A:ASP84 3.0 38.0 1.0 OD2 A:ASP84 3.2 36.2 1.0 O A:HOH549 3.6 36.0 1.0 CD2 A:HIS80 3.7 38.1 1.0 O A:HOH644 3.7 37.9 1.0 CE1 A:HIS80 3.8 38.8 1.0 O A:HOH561 3.8 38.6 1.0 O A:HIS46 4.1 34.5 1.0 N A:HIS46 4.3 34.1 1.0 O A:HOH578 4.3 37.4 1.0 CB A:ASP84 4.3 37.0 1.0 O A:HOH593 4.4 40.1 1.0 O A:HOH556 4.7 43.8 1.0 O A:HOH648 4.7 45.4 1.0 ND1 A:HIS80 4.9 37.9 1.0 CG A:HIS80 4.9 38.9 1.0 CB A:HIS46 4.9 32.6 1.0 CA A:ALA45 4.9 33.3 1.0 CB A:ALA45 4.9 33.1 1.0 C A:HIS46 5.0 32.6 1.0 CA A:HIS46 5.0 31.7 1.0

Magnesium binding site 2 out of 2 in the Structure of CAP5 From Asticcacaulis Sp.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of CAP5 From Asticcacaulis Sp. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:34.5 occ:1.00 O B:HOH551 1.9 37.4 1.0 O B:HOH531 2.1 33.2 1.0 O B:HOH617 2.2 34.6 1.0 OD1 B:ASP84 2.4 32.8 1.0 NE2 B:HIS80 2.5 31.9 1.0 CE1 B:HIS80 3.3 32.0 1.0 CG B:ASP84 3.5 33.1 1.0 CD2 B:HIS80 3.5 32.4 1.0 O B:HOH609 3.7 42.9 1.0 OD2 B:ASP84 3.9 32.5 1.0 N B:HIS46 4.1 34.5 1.0 O B:HOH555 4.1 37.9 1.0 O B:HIS46 4.3 34.6 1.0 CA B:ALA45 4.4 31.5 1.0 ND1 B:HIS80 4.5 32.1 1.0 CB B:ALA45 4.6 28.5 1.0 CG B:HIS80 4.6 30.7 1.0 C B:ALA45 4.8 33.1 1.0 CB B:ASP84 4.8 30.6 1.0 CB B:HIS46 4.9 36.3 1.0 CA B:HIS46 4.9 34.7 1.0

S.Fatma, A.Chakravarti, X.Zeng, R.H.Huang. Structure of CAP5 From Asticcacaulis Sp. To Be Published.