Magnesium in PDB 3mp5: Crystal Structure of Human Lyase R41M in Complex with Hmg-Coa

All present enzymatic activity of Crystal Structure of Human Lyase R41M in Complex with Hmg-Coa:
4.1.3.4;

The structure of Crystal Structure of Human Lyase R41M in Complex with Hmg-Coa, PDB code: 3mp5 was solved by Z.Fu, J.A.Runquist, C.Montgomery, H.M.Miziorko, J.-J.P.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.35 / 2.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	197.980, 116.660, 86.520, 90.00, 112.16, 90.00
R / Rfree (%)	22.1 / 27.1

The binding sites of Magnesium atom in the Crystal Structure of Human Lyase R41M in Complex with Hmg-Coa (pdb code 3mp5). 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 Human Lyase R41M in Complex with Hmg-Coa, PDB code: 3mp5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human Lyase R41M in Complex with Hmg-Coa


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 Human Lyase R41M in Complex with Hmg-Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:29.5 occ:1.00 OD1 B:ASP42 2.4 30.3 1.0 O B:HOH802 2.4 32.8 1.0 NE2 B:HIS235 2.4 23.1 1.0 O4 B:HMG401 2.4 57.0 1.0 O7 B:HMG401 2.5 57.8 1.0 NE2 B:HIS233 2.6 31.8 1.0 CE1 B:HIS235 3.2 22.6 1.0 CG B:ASP42 3.2 30.3 1.0 CD2 B:HIS233 3.2 29.5 1.0 C5 B:HMG401 3.3 56.4 1.0 C4 B:HMG401 3.3 56.6 1.0 C3 B:HMG401 3.4 57.0 1.0 CE1 B:HIS233 3.5 29.6 1.0 CD2 B:HIS235 3.6 23.0 1.0 OD2 B:ASP42 3.6 32.4 1.0 OD1 B:ASN275 3.6 29.0 1.0 C2 B:HMG401 4.0 57.1 1.0 CG B:HIS233 4.3 29.3 1.0 ND2 B:ASN275 4.3 28.0 1.0 ND1 B:HIS233 4.4 28.7 1.0 ND1 B:HIS235 4.4 23.1 1.0 CB B:ASP42 4.4 28.8 1.0 CG B:ASN275 4.4 28.5 1.0 O3 B:HMG401 4.5 54.3 1.0 O2 B:HMG401 4.5 58.3 1.0 O B:HOH835 4.5 19.1 1.0 CG B:HIS235 4.6 21.9 1.0 C6 B:HMG401 4.6 56.7 1.0 C1 B:HMG401 4.7 57.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human Lyase R41M in Complex with Hmg-Coa


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 Human Lyase R41M in Complex with Hmg-Coa within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg403 b:42.2 occ:1.00 NE2 C:HIS233 2.4 36.9 1.0 OD1 C:ASP42 2.5 46.5 1.0 NE2 C:HIS235 2.5 25.4 1.0 O C:HOH692 2.6 42.4 1.0 O C:HOH729 3.0 34.4 1.0 CD2 C:HIS233 3.2 35.7 1.0 CG C:ASP42 3.4 46.9 1.0 CE1 C:HIS235 3.5 26.5 1.0 CE1 C:HIS233 3.5 38.8 1.0 CD2 C:HIS235 3.5 26.8 1.0 OD2 C:ASP42 3.7 47.9 1.0 OD1 C:ASN275 4.3 35.2 1.0 CG C:HIS233 4.4 35.6 1.0 ND1 C:HIS233 4.5 37.7 1.0 ND1 C:HIS235 4.6 27.6 1.0 CB C:ASP42 4.6 45.5 1.0 CG C:HIS235 4.7 28.5 1.0

Z.Fu, J.A.Runquist, C.Montgomery, H.M.Miziorko, J.J.Kim. Functional Insights Into Human Hmg-Coa Lyase From Structures of Acyl-Coa-Containing Ternary Complexes. J.Biol.Chem. V. 285 26341 2010.
ISSN: ISSN 0021-9258
PubMed: 20558737
DOI: 10.1074/JBC.M110.139931