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Magnesium in PDB 8h8p: Crystal Structure of Thiomorpholine-Carboxylate Dehydrogenase From Candida Parapsilosis.

Protein crystallography data

The structure of Crystal Structure of Thiomorpholine-Carboxylate Dehydrogenase From Candida Parapsilosis., PDB code: 8h8p was solved by M.V.N.Uma Mahesh, S.Abhishek, M.A.Faidh, E.Rajakumara, A.Chadha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.84 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 84.755, 92.553, 169.864, 90, 90, 90
R / Rfree (%) 21.9 / 24.5

Other elements in 8h8p:

The structure of Crystal Structure of Thiomorpholine-Carboxylate Dehydrogenase From Candida Parapsilosis. also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Sodium (Na) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Thiomorpholine-Carboxylate Dehydrogenase From Candida Parapsilosis. (pdb code 8h8p). 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 Thiomorpholine-Carboxylate Dehydrogenase From Candida Parapsilosis., PDB code: 8h8p:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 8h8p

Go back to Magnesium Binding Sites List in 8h8p
Magnesium binding site 1 out of 2 in the Crystal Structure of Thiomorpholine-Carboxylate Dehydrogenase From Candida Parapsilosis.


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 Thiomorpholine-Carboxylate Dehydrogenase From Candida Parapsilosis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg409

b:67.3
occ:1.00
CA A:TYR335 4.5 53.7 1.0
OE1 A:GLU72 4.5 61.2 1.0
N A:TYR335 4.6 53.8 1.0
CB A:TYR335 4.8 54.1 1.0
OE1 A:GLU338 4.8 80.9 1.0
CB A:LYS334 4.8 55.8 1.0
C A:LYS334 4.9 57.9 1.0
CD1 A:TYR335 4.9 52.5 1.0

Magnesium binding site 2 out of 2 in 8h8p

Go back to Magnesium Binding Sites List in 8h8p
Magnesium binding site 2 out of 2 in the Crystal Structure of Thiomorpholine-Carboxylate Dehydrogenase From Candida Parapsilosis.


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 Thiomorpholine-Carboxylate Dehydrogenase From Candida Parapsilosis. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg407

b:66.9
occ:1.00
O C:HOH510 2.1 70.0 1.0
CE1 C:HIS299 3.6 55.2 1.0
OE2 C:GLU303 3.8 62.5 1.0
OE1 C:GLU303 3.9 55.1 1.0
ND1 C:HIS299 4.2 53.9 1.0
OE2 C:GLU300 4.2 64.9 1.0
CD C:GLU303 4.2 62.4 1.0
NE2 C:HIS299 4.7 48.6 1.0
CG C:GLU300 4.7 56.5 1.0
CD C:GLU300 5.0 55.6 1.0
CB C:ALA38 5.0 50.8 1.0

Reference:

M.V.N.Uma Mahesh, S.Abhishek, M.A.Faidh, E.Rajakumara, A.Chadha. Structure and Mechanism of A Ornithine Cyclodeaminase/Mu-Crystallin Homolog Purified From Candida Parapsilosis Atcc 7330. To Be Published.
Page generated: Fri Oct 4 04:46:04 2024

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