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

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

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 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 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

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.