Manganese in PDB 7rkp: The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Cyclic Compound SJ001034733

The structure of The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Cyclic Compound SJ001034733, PDB code: 7rkp was solved by M.G.Cuypers, J.P.Slavish, Z.Rankovic, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.92 / 2.36
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.69, 89.69, 133.156, 90, 90, 90
R / Rfree (%)	22.6 / 25.5

The binding sites of Manganese atom in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Cyclic Compound SJ001034733 (pdb code 7rkp). 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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Cyclic Compound SJ001034733, PDB code: 7rkp:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Cyclic Compound SJ001034733


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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Cyclic Compound SJ001034733 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn403 b:37.1 occ:1.00 OD2 A:ASP108 2.0 52.1 1.0 O4 A:5Y1402 2.0 66.0 1.0 O5 A:5Y1402 2.1 57.9 1.0 OE2 A:GLU119 2.1 58.3 1.0 O A:ILE120 2.1 55.7 1.0 NE2 A:HIS41 2.2 56.8 1.0 C23 A:5Y1402 2.8 81.1 1.0 C22 A:5Y1402 2.8 71.9 1.0 CE1 A:HIS41 2.9 59.5 1.0 CG A:ASP108 2.9 58.9 1.0 CD A:GLU119 3.1 57.5 1.0 OD1 A:ASP108 3.2 52.5 1.0 C A:ILE120 3.3 61.0 1.0 CD2 A:HIS41 3.4 50.7 1.0 N A:ILE120 3.6 64.4 1.0 OE1 A:GLU119 3.7 59.5 1.0 MN A:MN404 3.7 53.4 1.0 O A:HOH504 3.7 60.1 1.0 CA A:ILE120 3.9 61.7 1.0 N3 A:5Y1402 4.1 87.8 1.0 ND1 A:HIS41 4.1 47.7 1.0 C10 A:5Y1402 4.1 82.9 1.0 CG A:GLU119 4.3 65.9 1.0 N A:GLY121 4.3 62.3 1.0 CB A:ASP108 4.3 57.0 1.0 CG A:HIS41 4.4 56.0 1.0 O1 A:5Y1402 4.4 70.2 1.0 CB A:ILE120 4.4 54.6 1.0 C A:GLU119 4.5 59.2 1.0 CE A:LYS134 4.6 88.0 1.0 CA A:GLY121 4.6 63.7 1.0 C1 A:5Y1402 4.8 73.9 1.0 CA A:GLU119 4.9 65.2 1.0 CG2 A:ILE120 5.0 52.8 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Cyclic Compound SJ001034733


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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Cyclic Compound SJ001034733 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn404 b:53.4 occ:1.00 O1 A:5Y1402 1.7 70.2 1.0 O A:HOH504 2.0 60.1 1.0 OD1 A:ASP108 2.0 52.5 1.0 O4 A:5Y1402 2.2 66.0 1.0 O A:HOH503 2.3 45.8 1.0 OE2 A:GLU80 2.4 59.9 1.0 C1 A:5Y1402 2.8 73.9 1.0 CG A:ASP108 3.1 58.9 1.0 C22 A:5Y1402 3.3 71.9 1.0 CD A:GLU80 3.4 55.5 1.0 C10 A:5Y1402 3.5 82.9 1.0 OD2 A:ASP108 3.6 52.1 1.0 MN A:MN403 3.7 37.1 1.0 CE1 A:HIS41 3.8 59.5 1.0 N1 A:5Y1402 3.9 73.7 1.0 O A:PRO107 4.1 52.0 1.0 CG A:GLU80 4.1 58.2 1.0 O A:LEU106 4.2 59.8 1.0 OE1 A:GLU80 4.2 67.7 1.0 CB A:ASP108 4.3 57.0 1.0 C A:PRO107 4.3 62.2 1.0 OE1 A:GLU119 4.3 59.5 1.0 CB A:GLU80 4.4 49.3 1.0 CA A:ASP108 4.4 57.1 1.0 NE2 A:HIS41 4.4 56.8 1.0 C23 A:5Y1402 4.5 81.1 1.0 OE2 A:GLU119 4.5 58.3 1.0 N A:ASP108 4.5 57.8 1.0 ND1 A:HIS41 4.7 47.7 1.0 N2 A:5Y1402 4.8 96.0 1.0 O5 A:5Y1402 4.8 57.9 1.0 CD A:GLU119 4.9 57.5 1.0

M.G.Cuypers, J.P.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Cyclic Compound SJ001034733 To Be Published.