Manganese in PDB 3oyi: Crystal Structure of the Pfv S217Q Mutant Intasome in Complex with Manganese

The structure of Crystal Structure of the Pfv S217Q Mutant Intasome in Complex with Manganese, PDB code: 3oyi was solved by S.Hare, P.Cherepanov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.95 / 2.72
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	160.580, 160.580, 123.460, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 24.3

The structure of Crystal Structure of the Pfv S217Q Mutant Intasome in Complex with Manganese also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Manganese atom in the Crystal Structure of the Pfv S217Q Mutant Intasome in Complex with Manganese (pdb code 3oyi). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of the Pfv S217Q Mutant Intasome in Complex with Manganese, PDB code: 3oyi:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of the Pfv S217Q Mutant Intasome in Complex with Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Pfv S217Q Mutant Intasome in Complex with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn395 b:45.4 occ:1.00 O3' D:DA17 2.2 42.7 1.0 OE2 A:GLU221 2.2 46.1 1.0 OD2 A:ASP128 2.2 43.6 1.0 O A:HOH397 2.4 41.3 1.0 OE1 A:GLU221 2.4 43.1 1.0 CD A:GLU221 2.6 44.9 1.0 O A:HOH514 2.7 25.1 1.0 CG A:ASP128 3.2 43.4 1.0 C3' D:DA17 3.4 42.5 1.0 OD1 A:ASP128 3.5 45.1 1.0 C4' D:DA17 3.7 43.7 1.0 ND2 A:ASN224 3.9 44.2 1.0 O A:TYR129 4.0 45.8 1.0 C2' D:DA17 4.0 40.6 1.0 CG A:GLU221 4.1 43.5 1.0 C1' D:DA17 4.5 42.0 1.0 CB A:ASP128 4.5 42.2 1.0 O D:HOH26 4.5 53.8 1.0 O A:HOH499 4.6 58.5 1.0 OP1 D:DA17 4.6 44.6 1.0 C5' D:DA17 4.6 43.8 1.0 OE1 A:GLN217 4.6 54.0 1.0 O4' D:DA17 4.8 42.2 1.0 O3' D:DC16 4.9 42.7 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of the Pfv S217Q Mutant Intasome in Complex with Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the Pfv S217Q Mutant Intasome in Complex with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn393 b:59.6 occ:1.00 O B:HOH396 2.0 48.3 1.0 OD1 B:ASP185 2.1 48.0 1.0 O B:HOH395 2.1 32.7 1.0 OD1 B:ASP128 2.2 58.1 1.0 CG B:ASP128 3.0 54.6 1.0 O B:HOH424 3.0 59.6 1.0 CG B:ASP185 3.0 50.5 1.0 OD2 B:ASP128 3.1 52.6 1.0 OD2 B:ASP185 3.3 50.4 1.0 O B:HOH405 4.2 46.7 1.0 O B:HOH409 4.4 67.6 1.0 CB B:ASP128 4.4 53.9 1.0 CB B:ASP185 4.4 51.1 1.0 N B:TYR129 4.4 54.5 1.0 O B:TYR129 4.5 55.4 1.0 CA B:ASP128 4.8 54.1 1.0 O B:HOH408 4.9 53.0 1.0 CE2 B:PHE190 4.9 59.5 1.0

S.Hare, A.M.Vos, R.F.Clayton, J.W.Thuring, M.D.Cummings, P.Cherepanov. Molecular Mechanisms of Retroviral Integrase Inhibition and the Evolution of Viral Resistance. Proc.Natl.Acad.Sci.Usa V. 107 20057 2010.
ISSN: ISSN 0027-8424
PubMed: 21030679
DOI: 10.1073/PNAS.1010246107