Manganese in PDB 7lw6: The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with Raltegravir

Protein crystallography data

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with Raltegravir, PDB code: 7lw6 was solved by M.G.Cuypers, P.J.Slavish, S.W.White, Z.Rankovik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.35 / 2.38
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 89.515, 89.515, 133.802, 90, 90, 90
R / Rfree (%) 21.6 / 26.5

Manganese Binding Sites:

The binding sites of Manganese atom in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with Raltegravir (pdb code 7lw6). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with Raltegravir, PDB code: 7lw6:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 7lw6

Go back to Manganese Binding Sites List in 7lw6
Manganese binding site 1 out of 2 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with Raltegravir


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with Raltegravir within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn203

b:82.0
occ:1.00
OAH A:RLT201 1.8 110.5 1.0
O A:ILE120 2.1 86.7 1.0
NE2 A:HIS41 2.4 76.7 1.0
OD2 A:ASP108 2.4 77.6 1.0
OE1 A:GLU119 2.5 90.8 1.0
OAG A:RLT201 2.8 110.4 1.0
CAZ A:RLT201 2.9 115.7 1.0
CG A:ASP108 3.2 77.4 1.0
OD1 A:ASP108 3.2 88.5 1.0
CE1 A:HIS41 3.2 64.7 1.0
CBD A:RLT201 3.2 121.6 1.0
C A:ILE120 3.2 78.4 1.0
CD A:GLU119 3.3 85.2 1.0
OE2 A:GLU119 3.4 100.9 1.0
CD2 A:HIS41 3.4 83.7 1.0
N A:ILE120 3.6 62.6 1.0
CA A:ILE120 3.9 72.3 1.0
CBB A:RLT201 4.1 128.8 1.0
OAE A:RLT201 4.2 118.8 1.0
N A:GLY121 4.2 76.2 1.0
ND1 A:HIS41 4.3 64.3 1.0
C A:GLU119 4.4 74.9 1.0
CG A:HIS41 4.4 68.1 1.0
CB A:ILE120 4.5 65.1 1.0
MN A:MN204 4.5 146.4 1.0
CA A:GLY121 4.5 71.7 1.0
NBE A:RLT201 4.6 130.2 1.0
CAU A:RLT201 4.6 126.4 1.0
CB A:ASP108 4.6 69.2 1.0
CG A:GLU119 4.7 102.8 1.0
O A:HOH305 4.7 66.2 1.0
CA A:GLU119 4.8 74.1 1.0

Manganese binding site 2 out of 2 in 7lw6

Go back to Manganese Binding Sites List in 7lw6
Manganese binding site 2 out of 2 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with Raltegravir


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with Raltegravir within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn204

b:146.4
occ:1.00
OAE A:RLT201 1.9 118.8 1.0
OD1 A:ASP108 1.9 88.5 1.0
OE1 A:GLU80 2.3 83.7 1.0
CAU A:RLT201 3.0 126.4 1.0
CG A:ASP108 3.0 77.4 1.0
CD A:GLU80 3.3 81.8 1.0
O A:PRO107 3.4 79.5 1.0
CB A:GLU80 3.4 65.4 1.0
OAH A:RLT201 3.4 110.5 1.0
CA A:ASP108 3.5 73.0 1.0
CB A:ASP108 3.7 69.2 1.0
C A:PRO107 3.8 80.0 1.0
N A:ASP108 3.9 68.2 1.0
CG A:GLU80 3.9 74.2 1.0
NAR A:RLT201 3.9 125.5 1.0
CE1 A:HIS41 3.9 64.7 1.0
CA A:GLU80 3.9 71.0 1.0
CBB A:RLT201 4.0 128.8 1.0
OD2 A:ASP108 4.0 77.6 1.0
CAZ A:RLT201 4.1 115.7 1.0
O A:LEU106 4.2 86.8 1.0
OE2 A:GLU80 4.3 93.3 1.0
N A:GLU80 4.4 71.9 1.0
MN A:MN203 4.5 82.0 1.0
OE2 A:GLU119 4.6 100.9 1.0
NE2 A:HIS41 4.7 76.7 1.0
C A:ASP108 4.8 67.7 1.0
CA A:PRO107 4.8 72.8 1.0
ND1 A:HIS41 4.9 64.3 1.0
C A:LEU106 4.9 89.4 1.0
O A:ASP108 5.0 81.6 1.0

Reference:

M.G.Cuypers, P.J.Slavish, S.W.White, Z.Rankovik. The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with Raltegravir To Be Published.
Page generated: Mon Jul 12 15:26:04 2021

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