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Magnesium in PDB 4ksa: Crystal Structure of Malonyl-Coa Decarboxylase From Rhodopseudomonas Palustris, Northeast Structural Genomics Consortium Target RPR127

Enzymatic activity of Crystal Structure of Malonyl-Coa Decarboxylase From Rhodopseudomonas Palustris, Northeast Structural Genomics Consortium Target RPR127

All present enzymatic activity of Crystal Structure of Malonyl-Coa Decarboxylase From Rhodopseudomonas Palustris, Northeast Structural Genomics Consortium Target RPR127:
4.1.1.9;

Protein crystallography data

The structure of Crystal Structure of Malonyl-Coa Decarboxylase From Rhodopseudomonas Palustris, Northeast Structural Genomics Consortium Target RPR127, PDB code: 4ksa was solved by F.Forouhar, H.Neely, J.Seetharaman, S.Sahdev, R.Xiao, D.J.Patel, C.Ciccosanti, D.Wang, J.K.Everett, T.B.Acton, G.T.Montelione, J.F.Hunt, L.Tong, Northeast Structural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.89 / 2.70
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 141.505, 159.765, 108.622, 90.00, 90.00, 90.00
R / Rfree (%) 22.5 / 27.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Malonyl-Coa Decarboxylase From Rhodopseudomonas Palustris, Northeast Structural Genomics Consortium Target RPR127 (pdb code 4ksa). 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 Malonyl-Coa Decarboxylase From Rhodopseudomonas Palustris, Northeast Structural Genomics Consortium Target RPR127, PDB code: 4ksa:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4ksa

Go back to Magnesium Binding Sites List in 4ksa
Magnesium binding site 1 out of 2 in the Crystal Structure of Malonyl-Coa Decarboxylase From Rhodopseudomonas Palustris, Northeast Structural Genomics Consortium Target RPR127


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 Malonyl-Coa Decarboxylase From Rhodopseudomonas Palustris, Northeast Structural Genomics Consortium Target RPR127 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:64.6
occ:1.00
 NE2 A:HIS168 2.5 43.5 1.0
NE2 B:HIS168 2.5 49.6 1.0
O A:HOH639 3.1 50.9 1.0
CE1 A:HIS168 3.3 41.6 1.0
CE1 B:HIS168 3.3 47.8 1.0
CD2 A:HIS168 3.5 42.5 1.0
CD2 B:HIS168 3.5 49.2 1.0
O A:HOH640 3.6 41.1 1.0
ND1 A:HIS168 4.5 40.7 1.0
ND1 B:HIS168 4.5 49.4 1.0
OE1 B:GLN126 4.6 44.2 1.0
CG A:HIS168 4.6 42.2 1.0
CG B:HIS168 4.6 48.8 1.0
OE2 B:GLU122 4.7 57.6 1.0
OE1 A:GLN126 4.9 38.7 1.0
OE1 A:GLU122 5.0 56.4 1.0

Magnesium binding site 2 out of 2 in 4ksa

Go back to Magnesium Binding Sites List in 4ksa
Magnesium binding site 2 out of 2 in the Crystal Structure of Malonyl-Coa Decarboxylase From Rhodopseudomonas Palustris, Northeast Structural Genomics Consortium Target RPR127


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 Malonyl-Coa Decarboxylase From Rhodopseudomonas Palustris, Northeast Structural Genomics Consortium Target RPR127 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg501

b:75.3
occ:1.00
 NE2 C:HIS168 2.6 53.7 1.0
NE2 D:HIS168 2.7 46.5 1.0
O D:HOH530 3.0 60.1 1.0
O D:HOH512 3.0 50.6 1.0
CD2 C:HIS168 3.2 52.9 1.0
CE1 D:HIS168 3.4 45.3 1.0
CE1 C:HIS168 3.7 52.2 1.0
CD2 D:HIS168 3.8 44.7 1.0
OE1 C:GLN126 4.2 41.7 1.0
CG C:HIS168 4.4 51.3 1.0
ND1 D:HIS168 4.6 45.9 1.0
NH1 C:ARG130 4.7 45.4 1.0
ND1 C:HIS168 4.7 52.9 1.0
CG D:HIS168 4.8 44.4 1.0
O D:HOH504 4.9 35.1 1.0
O D:HOH531 4.9 48.0 1.0

Reference:

D.S.Froese, F.Forouhar, T.H.Tran, M.Vollmar, Y.S.Kim, S.Lew, H.Neely, J.Seetharaman, Y.Shen, R.Xiao, T.B.Acton, J.K.Everett, G.Cannone, S.Puranik, P.Savitsky, T.Krojer, E.S.Pilka, W.Kiyani, W.H.Lee, B.D.Marsden, F.Von Delft, C.K.Allerston, L.Spagnolo, O.Gileadi, G.T.Montelione, U.Oppermann, W.W.Yue, L.Tong. Crystal Structures of Malonyl-Coenzyme A Decarboxylase Provide Insights Into Its Catalytic Mechanism and Disease-Causing Mutations. Structure V. 21 1182 2013.
ISSN: ISSN 0969-2126
PubMed: 23791943
DOI: 10.1016/J.STR.2013.05.001
Page generated: Mon Aug 11 17:49:51 2025

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