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Magnesium in PDB 5h4d: Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride

Protein crystallography data

The structure of Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride, PDB code: 5h4d was solved by S.Zhang, L.Fu, J.Liu, B.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 77.32 / 3.21
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 114.560, 114.560, 123.404, 90.00, 90.00, 120.00
R / Rfree (%) 21.3 / 37.2

Other elements in 5h4d:

The structure of Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride also contains other interesting chemical elements:

Zinc (Zn) 2 atoms
Iodine (I) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride (pdb code 5h4d). 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 HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride, PDB code: 5h4d:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5h4d

Go back to Magnesium Binding Sites List in 5h4d
Magnesium binding site 1 out of 2 in the Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride


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 HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:2.0
occ:1.00
O A:ARG279 3.9 25.1 1.0
OD2 A:ASP271 4.2 38.9 1.0
CD A:PRO281 4.3 26.3 1.0
CG A:PRO281 4.4 26.3 1.0
CB A:PRO281 4.6 26.3 1.0
N A:PRO281 4.7 26.3 1.0
CG2 A:ILE268 4.8 31.8 1.0
C A:ARG279 4.9 25.3 1.0
CB A:ASP267 5.0 27.7 1.0

Magnesium binding site 2 out of 2 in 5h4d

Go back to Magnesium Binding Sites List in 5h4d
Magnesium binding site 2 out of 2 in the Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride


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 HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg404

b:2.0
occ:1.00
O H:ASP267 3.8 43.8 1.0
O H:ARG279 4.0 31.6 1.0
CD H:PRO281 4.0 28.4 1.0
CG H:PRO281 4.5 27.9 1.0
CG2 H:ILE268 4.6 51.4 1.0
OD2 H:ASP271 4.7 54.1 1.0
CG2 H:VAL287 4.7 22.2 1.0
N H:PRO281 4.8 28.2 1.0
C H:ASP267 4.8 44.1 1.0
CB H:PRO281 4.9 27.5 1.0

Reference:

S.Zhang, L.Fu, J.Liu, B.Liu. Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride To Be Published.
Page generated: Sun Sep 29 15:40:53 2024

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