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Magnesium in PDB 6whm: The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type Bound to Dna Oligomer Tagc (Cleaved Ttagcatt, 5MM Overnight Dna Soak)

Protein crystallography data

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type Bound to Dna Oligomer Tagc (Cleaved Ttagcatt, 5MM Overnight Dna Soak), PDB code: 6whm was solved by M.G.Cuypers, G.Kumar, T.Webb, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.35 / 1.92
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 89.885, 89.885, 134.295, 90, 90, 90
R / Rfree (%) 17.7 / 21.7

Other elements in 6whm:

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type Bound to Dna Oligomer Tagc (Cleaved Ttagcatt, 5MM Overnight Dna Soak) also contains other interesting chemical elements:

Manganese (Mn) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type Bound to Dna Oligomer Tagc (Cleaved Ttagcatt, 5MM Overnight Dna Soak) (pdb code 6whm). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type Bound to Dna Oligomer Tagc (Cleaved Ttagcatt, 5MM Overnight Dna Soak), PDB code: 6whm:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6whm

Go back to Magnesium Binding Sites List in 6whm
Magnesium binding site 1 out of 2 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type Bound to Dna Oligomer Tagc (Cleaved Ttagcatt, 5MM Overnight Dna Soak)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type Bound to Dna Oligomer Tagc (Cleaved Ttagcatt, 5MM Overnight Dna Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg203

b:31.1
occ:0.70
MN A:MN204 0.3 34.9 0.3
OE2 A:GLU119 1.8 49.0 1.0
O B:HOH102 2.1 41.7 1.0
O A:ILE120 2.1 41.8 1.0
OD2 A:ASP108 2.2 40.8 1.0
NE2 A:HIS41 2.5 46.2 1.0
MG A:MG207 2.9 63.1 1.0
CD A:GLU119 2.9 51.0 1.0
CG A:ASP108 3.1 41.5 1.0
C A:ILE120 3.3 40.1 1.0
CE1 A:HIS41 3.3 40.5 1.0
OD1 A:ASP108 3.4 46.5 1.0
OE1 A:GLU119 3.4 54.4 1.0
N A:ILE120 3.5 37.4 1.0
CD2 A:HIS41 3.5 41.5 1.0
CA A:ILE120 3.9 36.4 1.0
OP2 B:DA2 4.1 107.1 1.0
CG A:GLU119 4.1 40.9 1.0
N A:GLY121 4.3 35.6 1.0
C A:GLU119 4.4 38.3 1.0
ND1 A:HIS41 4.5 41.8 1.0
CB A:ASP108 4.5 35.6 1.0
CB A:ILE120 4.5 37.9 1.0
CA A:GLY121 4.6 38.7 1.0
CG A:HIS41 4.6 44.1 1.0
CA A:GLU119 4.7 36.9 1.0
CE A:LYS134 4.7 79.3 1.0
OP1 B:DT1 4.7 147.3 1.0
CB A:GLU119 5.0 40.4 1.0

Magnesium binding site 2 out of 2 in 6whm

Go back to Magnesium Binding Sites List in 6whm
Magnesium binding site 2 out of 2 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type Bound to Dna Oligomer Tagc (Cleaved Ttagcatt, 5MM Overnight Dna Soak)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type Bound to Dna Oligomer Tagc (Cleaved Ttagcatt, 5MM Overnight Dna Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg207

b:63.1
occ:1.00
OD1 A:ASP108 2.0 46.5 1.0
MN A:MN204 2.7 34.9 0.3
OP1 B:DT1 2.9 147.3 1.0
CG A:ASP108 2.9 41.5 1.0
MG A:MG203 2.9 31.1 0.7
OD2 A:ASP108 3.1 40.8 1.0
CE1 A:HIS41 3.2 40.5 1.0
O A:HOH335 3.2 47.1 1.0
OE1 A:GLU80 3.4 60.8 1.0
NE2 A:HIS41 3.5 46.2 1.0
OE2 A:GLU119 3.8 49.0 1.0
OE1 A:GLU119 3.9 54.4 1.0
O B:HOH102 3.9 41.7 1.0
O A:LEU106 4.2 48.8 1.0
P B:DT1 4.3 150.3 1.0
CB A:ASP108 4.3 35.6 1.0
CD A:GLU119 4.3 51.0 1.0
CD A:GLU80 4.3 60.3 1.0
ND1 A:HIS41 4.3 41.8 1.0
C A:PRO107 4.6 38.6 1.0
CA A:ASP108 4.6 37.1 1.0
O A:PRO107 4.6 39.5 1.0
N A:ASP108 4.7 33.0 1.0
C5' B:DT1 4.7 126.7 1.0
CD2 A:HIS41 4.8 41.5 1.0
O A:ILE120 4.9 41.8 1.0
OE2 A:GLU80 4.9 67.1 1.0

Reference:

G.Kumar, M.Cuypers, R.R.Webby, T.R.Webb, S.W.White. Structural Insights Into the Substrate Specificity of the Endonuclease Activity of the Influenza Virus Cap-Snatching Mechanism. Nucleic Acids Res. 2021.
ISSN: ESSN 1362-4962
PubMed: 33469660
DOI: 10.1093/NAR/GKAA1294
Page generated: Tue Oct 1 23:00:17 2024

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