Manganese in PDB 4hd0: MRE11 ATLD17/18 Mutation Retains TEL1/Atm Activity But Blocks Dna Double-Strand Break Repair

The structure of MRE11 ATLD17/18 Mutation Retains TEL1/Atm Activity But Blocks Dna Double-Strand Break Repair, PDB code: 4hd0 was solved by O.Limbo, D.Moiani, A.Kertokalio, C.Wyman, J.A.Tainer, P.Russell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.039, 70.189, 81.489, 90.00, 109.31, 90.00
R / Rfree (%)	22.3 / 27.7

The binding sites of Manganese atom in the MRE11 ATLD17/18 Mutation Retains TEL1/Atm Activity But Blocks Dna Double-Strand Break Repair (pdb code 4hd0). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the MRE11 ATLD17/18 Mutation Retains TEL1/Atm Activity But Blocks Dna Double-Strand Break Repair, PDB code: 4hd0:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the MRE11 ATLD17/18 Mutation Retains TEL1/Atm Activity But Blocks Dna Double-Strand Break Repair


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of MRE11 ATLD17/18 Mutation Retains TEL1/Atm Activity But Blocks Dna Double-Strand Break Repair within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:52.9 occ:1.00 OD1 A:ASN84 2.1 32.0 1.0 OD1 A:ASP49 2.2 25.4 1.0 NE2 A:HIS173 2.2 29.4 1.0 ND1 A:HIS206 2.4 27.6 1.0 CE1 A:HIS173 2.9 27.6 1.0 CG A:ASN84 3.1 31.4 1.0 CE1 A:HIS206 3.1 26.7 1.0 CG A:ASP49 3.1 27.6 1.0 MN A:MN402 3.1 41.5 1.0 CD2 A:HIS173 3.5 27.3 1.0 CG A:HIS206 3.5 30.0 1.0 OD2 A:ASP49 3.6 23.4 1.0 ND2 A:ASN84 3.7 32.8 1.0 CA A:HIS206 3.7 28.4 1.0 OD2 A:ASP8 4.0 27.1 1.0 CB A:HIS206 4.0 27.5 1.0 CD2 A:HIS85 4.0 30.9 1.0 ND1 A:HIS173 4.1 24.4 1.0 N A:ASN84 4.2 29.1 1.0 CB A:ASN84 4.3 29.8 1.0 CB A:ASP49 4.3 24.9 1.0 NE2 A:HIS206 4.3 33.8 1.0 O A:HIS206 4.3 30.1 1.0 CG A:HIS173 4.4 30.9 1.0 CD2 A:HIS206 4.5 33.7 1.0 C A:HIS206 4.6 28.9 1.0 N A:HIS206 4.6 27.5 1.0 N A:HIS85 4.7 30.9 1.0 CA A:ASN84 4.7 29.9 1.0 NE2 A:HIS208 4.7 39.2 1.0 NE2 A:HIS10 4.7 24.1 1.0 NE2 A:HIS85 4.8 33.5 1.0

Manganese binding site 2 out of 4 in the MRE11 ATLD17/18 Mutation Retains TEL1/Atm Activity But Blocks Dna Double-Strand Break Repair


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of MRE11 ATLD17/18 Mutation Retains TEL1/Atm Activity But Blocks Dna Double-Strand Break Repair within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:41.5 occ:1.00 NE2 A:HIS10 2.2 24.1 1.0 NE2 A:HIS208 2.3 39.2 1.0 OD2 A:ASP8 2.3 27.1 1.0 OD1 A:ASP49 2.5 25.4 1.0 CE1 A:HIS10 3.1 19.7 1.0 MN A:MN401 3.1 52.9 1.0 CE1 A:HIS208 3.2 40.1 1.0 CD2 A:HIS208 3.2 36.9 1.0 CD2 A:HIS10 3.2 16.6 1.0 CG A:ASP8 3.3 26.7 1.0 CG A:ASP49 3.4 27.6 1.0 CB A:ASP49 3.6 24.9 1.0 CB A:ASP8 3.7 22.8 1.0 CA A:ASP8 4.1 22.1 1.0 ND1 A:HIS10 4.2 19.3 1.0 O A:HIS206 4.3 30.1 1.0 CE1 A:HIS173 4.3 27.6 1.0 OD1 A:ASP8 4.3 33.6 1.0 ND1 A:HIS208 4.3 40.6 1.0 CG A:HIS10 4.3 17.4 1.0 CG A:HIS208 4.4 33.9 1.0 CD2 A:HIS85 4.5 30.9 1.0 OD2 A:ASP49 4.6 23.4 1.0 CA A:HIS206 4.6 28.4 1.0 NE2 A:HIS173 4.6 29.4 1.0 OD1 A:ASN84 4.7 32.0 1.0 ND1 A:HIS206 4.7 27.6 1.0 C A:HIS206 4.8 28.9 1.0 NE2 A:HIS85 4.9 33.5 1.0

Manganese binding site 3 out of 4 in the MRE11 ATLD17/18 Mutation Retains TEL1/Atm Activity But Blocks Dna Double-Strand Break Repair


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of MRE11 ATLD17/18 Mutation Retains TEL1/Atm Activity But Blocks Dna Double-Strand Break Repair within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn401 b:41.8 occ:1.00 OD1 B:ASP8 1.7 27.5 1.0 NE2 B:HIS10 2.2 25.9 1.0 NE2 B:HIS208 2.2 45.2 1.0 OD2 B:ASP49 2.4 17.5 1.0 CG B:ASP8 2.8 23.3 1.0 CE1 B:HIS10 2.9 20.6 1.0 CE1 B:HIS208 3.0 44.0 1.0 MN B:MN402 3.2 48.9 1.0 CD2 B:HIS208 3.3 44.1 1.0 CD2 B:HIS10 3.4 24.8 1.0 CG B:ASP49 3.4 20.0 1.0 CB B:ASP8 3.6 22.0 1.0 OD2 B:ASP8 3.7 25.3 1.0 CB B:ASP49 3.7 20.4 1.0 O B:HIS206 3.7 30.4 1.0 ND1 B:HIS10 4.2 19.2 1.0 ND1 B:HIS208 4.2 42.8 1.0 CA B:ASP8 4.2 23.0 1.0 CD2 B:HIS85 4.3 36.3 1.0 CG B:HIS208 4.4 37.5 1.0 CG B:HIS10 4.4 23.1 1.0 CE1 B:HIS173 4.4 26.2 1.0 CA B:HIS206 4.5 30.1 1.0 C B:HIS206 4.5 30.2 1.0 NE2 B:HIS85 4.5 37.5 1.0 NE2 B:HIS173 4.5 23.0 1.0 OD1 B:ASP49 4.5 22.7 1.0 OD1 B:ASN84 4.7 29.4 1.0 ND1 B:HIS206 4.8 37.8 1.0

Manganese binding site 4 out of 4 in the MRE11 ATLD17/18 Mutation Retains TEL1/Atm Activity But Blocks Dna Double-Strand Break Repair


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of MRE11 ATLD17/18 Mutation Retains TEL1/Atm Activity But Blocks Dna Double-Strand Break Repair within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn402 b:48.9 occ:1.00 OD1 B:ASN84 2.0 29.4 1.0 NE2 B:HIS173 2.2 23.0 1.0 OD2 B:ASP49 2.3 17.5 1.0 ND1 B:HIS206 2.4 37.8 1.0 CE1 B:HIS173 3.0 26.2 1.0 CG B:ASN84 3.1 27.9 1.0 CE1 B:HIS206 3.2 38.1 1.0 MN B:MN401 3.2 41.8 1.0 CG B:ASP49 3.2 20.0 1.0 CD2 B:HIS173 3.3 23.1 1.0 CG B:HIS206 3.5 36.9 1.0 OD1 B:ASP49 3.5 22.7 1.0 OD1 B:ASP8 3.7 27.5 1.0 CA B:HIS206 3.7 30.1 1.0 ND2 B:ASN84 3.8 33.2 1.0 CD2 B:HIS85 3.9 36.3 1.0 CB B:HIS206 3.9 30.8 1.0 N B:ASN84 4.1 25.7 1.0 O B:HIS206 4.1 30.4 1.0 ND1 B:HIS173 4.2 28.8 1.0 CB B:ASN84 4.3 26.5 1.0 CG B:HIS173 4.4 27.7 1.0 NE2 B:HIS206 4.4 41.0 1.0 C B:HIS206 4.4 30.2 1.0 CB B:ASP49 4.4 20.4 1.0 NE2 B:HIS85 4.5 37.5 1.0 CD2 B:HIS206 4.5 40.8 1.0 N B:HIS206 4.7 28.2 1.0 CG B:ASP8 4.7 23.3 1.0 CA B:ASN84 4.7 27.3 1.0 N B:HIS85 4.9 29.1 1.0 NE2 B:HIS208 4.9 45.2 1.0 OD2 B:ASP8 4.9 25.3 1.0 NE2 B:HIS10 5.0 25.9 1.0

O.Limbo, D.Moiani, A.Kertokalio, C.Wyman, J.A.Tainer, P.Russell. MRE11 ATLD17/18 Mutation Retains TEL1/Atm Activity But Blocks Dna Double-Strand Break Repair. Nucleic Acids Res. V. 40 11435 2012.
ISSN: ISSN 0305-1048
PubMed: 23080121
DOI: 10.1093/NAR/GKS954