Manganese in PDB 1ii7: Crystal Structure of P. Furiosus MRE11 with Manganese and Damp

The structure of Crystal Structure of P. Furiosus MRE11 with Manganese and Damp, PDB code: 1ii7 was solved by K.-P.Hopfner, A.Karcher, L.Craig, T.T.Woo, J.P.Carney, J.A.Tainer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.290, 88.740, 145.120, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 26.4

The binding sites of Manganese atom in the Crystal Structure of P. Furiosus MRE11 with Manganese and Damp (pdb code 1ii7). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of P. Furiosus MRE11 with Manganese and Damp, PDB code: 1ii7:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of P. Furiosus MRE11 with Manganese and Damp


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 P. Furiosus MRE11 with Manganese and Damp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn403 b:36.1 occ:1.00 OD1 A:ASP8 2.1 33.4 1.0 O A:HOH407 2.2 38.8 1.0 OP3 A:DA401 2.3 54.0 1.0 OD1 A:ASP49 2.3 29.7 1.0 NE2 A:HIS10 2.4 28.4 1.0 NE2 A:HIS208 2.5 43.7 1.0 CG A:ASP8 3.2 34.2 1.0 P A:DA401 3.3 56.3 1.0 CE1 A:HIS10 3.3 27.4 1.0 CG A:ASP49 3.3 32.2 1.0 MN A:MN404 3.3 39.6 1.0 CE1 A:HIS208 3.4 43.6 1.0 OP2 A:DA401 3.4 54.5 1.0 CD2 A:HIS10 3.5 26.4 1.0 CD2 A:HIS208 3.5 43.4 1.0 CB A:ASP49 3.7 27.9 1.0 CB A:ASP8 3.8 30.2 1.0 C5' A:DA401 4.0 66.7 1.0 O5' A:DA401 4.1 59.2 1.0 OD2 A:ASP8 4.2 35.8 1.0 O A:HIS206 4.3 43.1 1.0 CA A:ASP8 4.3 28.3 1.0 CE1 A:HIS173 4.4 30.4 1.0 OD2 A:ASP49 4.4 31.4 1.0 CD2 A:HIS85 4.4 34.3 1.0 ND1 A:HIS10 4.5 30.1 1.0 ND1 A:HIS208 4.6 43.4 1.0 OP1 A:DA401 4.6 56.7 1.0 NE2 A:HIS173 4.6 31.3 1.0 CG A:HIS10 4.6 28.6 1.0 CG A:HIS208 4.6 41.1 1.0 CA A:HIS206 4.8 39.6 1.0 NE2 A:HIS85 4.9 36.8 1.0 C A:HIS206 4.9 40.8 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of P. Furiosus MRE11 with Manganese and Damp


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 P. Furiosus MRE11 with Manganese and Damp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn404 b:39.6 occ:1.00 OP2 A:DA401 1.9 54.5 1.0 OD1 A:ASN84 2.2 36.1 1.0 O A:HOH407 2.2 38.8 1.0 NE2 A:HIS173 2.2 31.3 1.0 OD1 A:ASP49 2.4 29.7 1.0 ND1 A:HIS206 2.5 44.1 1.0 CE1 A:HIS173 3.0 30.4 1.0 P A:DA401 3.2 56.3 1.0 CE1 A:HIS206 3.2 44.8 1.0 CG A:ASN84 3.2 37.0 1.0 CG A:ASP49 3.3 32.2 1.0 CD2 A:HIS173 3.3 28.4 1.0 MN A:MN403 3.3 36.1 1.0 OP3 A:DA401 3.6 54.0 1.0 OD2 A:ASP49 3.6 31.4 1.0 ND2 A:ASN84 3.6 35.9 1.0 CG A:HIS206 3.6 42.8 1.0 CA A:HIS206 3.9 39.6 1.0 OD1 A:ASP8 4.0 33.4 1.0 CB A:HIS206 4.1 40.5 1.0 ND1 A:HIS173 4.2 29.7 1.0 O A:HIS206 4.3 43.1 1.0 CD2 A:HIS85 4.3 34.3 1.0 OP1 A:DA401 4.3 56.7 1.0 O5' A:DA401 4.3 59.2 1.0 N A:ASN84 4.4 31.6 1.0 CG A:HIS173 4.4 32.2 1.0 NE2 A:HIS206 4.4 46.7 1.0 CB A:ASN84 4.5 35.6 1.0 CB A:ASP49 4.5 27.9 1.0 C A:HIS206 4.6 40.8 1.0 CD2 A:HIS206 4.7 44.0 1.0 C5' A:DA401 4.9 66.7 1.0 N A:HIS206 4.9 39.6 1.0 N A:HIS85 4.9 35.5 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of P. Furiosus MRE11 with Manganese and Damp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of P. Furiosus MRE11 with Manganese and Damp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn405 b:39.5 occ:1.00 O1 B:PO4402 2.2 58.0 1.0 OD1 B:ASN84 2.2 32.9 1.0 O B:HOH408 2.3 41.4 1.0 NE2 B:HIS173 2.3 28.5 1.0 ND1 B:HIS206 2.3 42.8 1.0 OD2 B:ASP49 2.5 26.0 1.0 CE1 B:HIS206 2.9 44.1 1.0 CG B:ASN84 3.2 32.7 1.0 CE1 B:HIS173 3.2 30.1 1.0 CG B:ASP49 3.3 30.1 1.0 CD2 B:HIS173 3.3 29.7 1.0 P B:PO4402 3.4 60.8 1.0 MN B:MN406 3.4 33.7 1.0 CG B:HIS206 3.5 41.2 1.0 OD1 B:ASP49 3.5 28.6 1.0 ND2 B:ASN84 3.5 30.0 1.0 O3 B:PO4402 3.6 58.9 1.0 CA B:HIS206 3.9 35.6 1.0 OD1 B:ASP8 4.0 30.8 1.0 CB B:HIS206 4.0 37.5 1.0 NE2 B:HIS206 4.1 45.9 1.0 O2 B:PO4402 4.2 59.1 1.0 O B:HIS206 4.2 38.0 1.0 N B:ASN84 4.3 28.0 1.0 ND1 B:HIS173 4.4 31.2 1.0 CD2 B:HIS206 4.4 42.2 1.0 CG B:HIS173 4.4 31.7 1.0 O4 B:PO4402 4.5 61.9 1.0 CB B:ASN84 4.5 31.2 1.0 CB B:ASP49 4.5 24.4 1.0 CD2 B:HIS85 4.5 33.1 1.0 C B:HIS206 4.6 35.6 1.0 N B:HIS206 4.9 34.0 1.0 N B:HIS85 4.9 30.0 1.0 CA B:ASN84 5.0 31.6 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of P. Furiosus MRE11 with Manganese and Damp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of P. Furiosus MRE11 with Manganese and Damp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn406 b:33.7 occ:1.00 OD1 B:ASP8 2.1 30.8 1.0 OD2 B:ASP49 2.1 26.0 1.0 O B:HOH408 2.1 41.4 1.0 O3 B:PO4402 2.2 58.9 1.0 NE2 B:HIS208 2.2 34.0 1.0 NE2 B:HIS10 2.3 31.0 1.0 CE1 B:HIS208 3.0 37.6 1.0 CE1 B:HIS10 3.1 29.9 1.0 CG B:ASP8 3.2 30.1 1.0 CG B:ASP49 3.2 30.1 1.0 CD2 B:HIS208 3.4 35.0 1.0 P B:PO4402 3.4 60.8 1.0 MN B:MN405 3.4 39.5 1.0 CD2 B:HIS10 3.5 27.0 1.0 CB B:ASP49 3.6 24.4 1.0 O1 B:PO4402 3.6 58.0 1.0 CB B:ASP8 3.7 25.2 1.0 O2 B:PO4402 4.1 59.1 1.0 OD2 B:ASP8 4.2 33.2 1.0 ND1 B:HIS208 4.2 37.1 1.0 OD1 B:ASP49 4.3 28.6 1.0 O B:HIS206 4.3 38.0 1.0 CA B:ASP8 4.3 24.5 1.0 ND1 B:HIS10 4.3 27.3 1.0 CG B:HIS208 4.4 34.2 1.0 CG B:HIS10 4.5 29.9 1.0 O4 B:PO4402 4.6 61.9 1.0 CE1 B:HIS173 4.6 30.1 1.0 CD2 B:HIS85 4.6 33.1 1.0 NE2 B:HIS173 4.7 28.5 1.0 CA B:HIS206 4.9 35.6 1.0 C B:HIS206 4.9 35.6 1.0

K.P.Hopfner, A.Karcher, L.Craig, T.T.Woo, J.P.Carney, J.A.Tainer. Structural Biochemistry and Interaction Architecture of the Dna Double-Strand Break Repair MRE11 Nuclease and RAD50-Atpase. Cell(Cambridge,Mass.) V. 105 473 2001.
ISSN: ISSN 0092-8674
PubMed: 11371344
DOI: 10.1016/S0092-8674(01)00335-X