Manganese in PDB 8bah: Human MRE11-NBS1 Complex

The binding sites of Manganese atom in the Human MRE11-NBS1 Complex (pdb code 8bah). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Human MRE11-NBS1 Complex, PDB code: 8bah:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Human MRE11-NBS1 Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Human MRE11-NBS1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn801 b:141.5 occ:1.00 NE2 A:HIS22 2.0 96.7 1.0 NE2 A:HIS247 2.1 103.3 1.0 OD2 A:ASP60 2.3 100.4 1.0 OD2 A:ASP20 2.4 98.3 1.0 CE1 A:HIS22 2.7 96.7 1.0 HE1 A:HIS22 2.7 96.7 1.0 CG A:ASP20 2.9 98.3 1.0 MN A:MN802 3.0 138.6 1.0 CE1 A:HIS247 3.1 103.3 1.0 CD2 A:HIS247 3.1 103.3 1.0 CD2 A:HIS22 3.2 96.7 1.0 HE1 A:HIS247 3.2 103.3 1.0 HD2 A:HIS247 3.3 103.3 1.0 HB3 A:ASP20 3.3 98.3 1.0 CG A:ASP60 3.4 100.4 1.0 OD1 A:ASP20 3.4 98.3 1.0 HD2 A:HIS22 3.5 96.7 1.0 HB3 A:ASP60 3.6 100.4 1.0 CB A:ASP20 3.6 98.3 1.0 HE1 A:HIS217 3.6 99.0 1.0 HB2 A:ASP60 3.7 100.4 1.0 CB A:ASP60 3.8 100.4 1.0 ND1 A:HIS22 3.9 96.7 1.0 HA A:ASP20 4.0 98.3 1.0 CG A:HIS22 4.1 96.7 1.0 ND1 A:HIS245 4.2 103.4 1.0 ND1 A:HIS247 4.2 103.3 1.0 CG A:HIS247 4.3 103.3 1.0 O A:HIS245 4.3 103.4 1.0 HE1 A:HIS245 4.3 103.4 1.0 CE1 A:HIS217 4.4 99.0 1.0 HB2 A:ASP20 4.4 98.3 1.0 CA A:ASP20 4.4 98.3 1.0 OD1 A:ASP60 4.5 100.4 1.0 HD22 A:ASN129 4.5 103.3 1.0 HD21 A:ASN129 4.5 103.3 1.0 HA A:HIS245 4.6 103.4 1.0 NE2 A:HIS217 4.6 99.0 1.0 HD1 A:HIS22 4.6 96.7 1.0 CE1 A:HIS245 4.6 103.4 1.0 OD1 A:ASN128 4.6 99.6 1.0 HD21 A:ASN128 4.7 99.6 1.0 ND2 A:ASN129 4.7 103.3 1.0 HD1 A:HIS247 5.0 103.3 1.0 HG21 A:THR272 5.0 106.6 1.0

Manganese binding site 2 out of 4 in the Human MRE11-NBS1 Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Human MRE11-NBS1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn802 b:138.6 occ:1.00 OD1 A:ASN128 2.0 99.6 1.0 ND1 A:HIS245 2.1 103.4 1.0 OD2 A:ASP60 2.2 100.4 1.0 NE2 A:HIS217 2.2 99.0 1.0 HE1 A:HIS245 2.8 103.4 1.0 CE1 A:HIS245 2.8 103.4 1.0 HE1 A:HIS217 2.8 99.0 1.0 CE1 A:HIS217 2.9 99.0 1.0 CG A:ASN128 3.0 99.6 1.0 MN A:MN801 3.0 141.5 1.0 HD21 A:ASN128 3.1 99.6 1.0 CG A:ASP60 3.2 100.4 1.0 CG A:HIS245 3.3 103.4 1.0 CD2 A:HIS217 3.4 99.0 1.0 ND2 A:ASN128 3.4 99.6 1.0 OD1 A:ASP60 3.5 100.4 1.0 HB2 A:HIS245 3.7 103.4 1.0 HA A:HIS245 3.7 103.4 1.0 OD2 A:ASP20 3.7 98.3 1.0 HD2 A:HIS217 3.7 99.0 1.0 H A:ASN128 3.9 99.6 1.0 CB A:HIS245 3.9 103.4 1.0 NE2 A:HIS245 4.0 103.4 1.0 ND1 A:HIS217 4.1 99.0 1.0 CA A:HIS245 4.2 103.4 1.0 HD22 A:ASN128 4.3 99.6 1.0 O A:HIS245 4.3 103.4 1.0 CD2 A:HIS245 4.3 103.4 1.0 CB A:ASN128 4.3 99.6 1.0 CG A:HIS217 4.3 99.0 1.0 HB3 A:ASN128 4.4 99.6 1.0 H A:ASN129 4.5 103.3 1.0 NE2 A:HIS247 4.5 103.3 1.0 CB A:ASP60 4.5 100.4 1.0 CG A:ASP20 4.6 98.3 1.0 N A:ASN128 4.6 99.6 1.0 OD1 A:ASP20 4.7 98.3 1.0 HB2 A:ASP60 4.7 100.4 1.0 HE2 A:HIS245 4.7 103.4 1.0 NE2 A:HIS22 4.7 96.7 1.0 C A:HIS245 4.7 103.4 1.0 HD1 A:HIS217 4.8 99.0 1.0 HB3 A:ASP60 4.8 100.4 1.0 HB3 A:HIS245 4.8 103.4 1.0 HD2 A:HIS247 4.8 103.3 1.0 HE1 A:HIS22 4.9 96.7 1.0 HB2 A:ASN128 5.0 99.6 1.0

Manganese binding site 3 out of 4 in the Human MRE11-NBS1 Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Human MRE11-NBS1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn801 b:141.3 occ:1.00 NE2 B:HIS22 2.0 92.7 1.0 OD2 B:ASP20 2.0 91.1 1.0 HE2 B:HIS247 2.2 96.8 1.0 HE1 B:HIS22 2.3 92.7 1.0 CE1 B:HIS22 2.4 92.7 1.0 OD2 B:ASP60 2.5 93.6 1.0 NE2 B:HIS247 2.7 96.8 1.0 CG B:ASP20 2.8 91.1 1.0 MN B:MN802 2.9 138.2 1.0 HE1 B:HIS247 3.2 96.8 1.0 CE1 B:HIS247 3.2 96.8 1.0 CD2 B:HIS22 3.3 92.7 1.0 HB3 B:ASP20 3.5 91.1 1.0 OD1 B:ASP20 3.5 91.1 1.0 CG B:ASP60 3.6 93.6 1.0 ND1 B:HIS22 3.7 92.7 1.0 CB B:ASP20 3.7 91.1 1.0 HD2 B:HIS22 3.8 92.7 1.0 CD2 B:HIS247 3.8 96.8 1.0 HA B:ASP20 3.8 91.1 1.0 HB3 B:ASP60 3.8 93.6 1.0 HB2 B:ASP60 3.8 93.6 1.0 HE1 B:HIS217 3.8 96.6 1.0 HD1 B:HIS245 4.0 96.6 1.0 CB B:ASP60 4.0 93.6 1.0 CG B:HIS22 4.1 92.7 1.0 HD2 B:HIS247 4.1 96.8 1.0 O B:HIS245 4.2 96.6 1.0 ND1 B:HIS247 4.3 96.8 1.0 NE2 B:HIS217 4.3 96.6 1.0 HD1 B:HIS22 4.3 92.7 1.0 CA B:ASP20 4.3 91.1 1.0 HE1 B:HIS245 4.4 96.6 1.0 ND1 B:HIS245 4.4 96.6 1.0 CE1 B:HIS217 4.4 96.6 1.0 HA B:HIS245 4.4 96.6 1.0 HB2 B:ASP20 4.5 91.1 1.0 CE1 B:HIS245 4.6 96.6 1.0 CG B:HIS247 4.6 96.8 1.0 HD21 B:ASN129 4.6 98.5 1.0 OD1 B:ASP60 4.7 93.6 1.0 HD22 B:ASN129 4.7 98.5 1.0 OD1 B:ASN128 4.7 92.4 1.0 ND2 B:ASN129 4.8 98.5 1.0 HD21 B:ASN128 4.9 92.4 1.0 HG21 B:THR272 5.0 100.7 1.0

Manganese binding site 4 out of 4 in the Human MRE11-NBS1 Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Human MRE11-NBS1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn802 b:138.2 occ:1.00 HD1 B:HIS245 1.7 96.6 1.0 ND1 B:HIS245 2.3 96.6 1.0 OD2 B:ASP60 2.3 93.6 1.0 HE1 B:HIS245 2.4 96.6 1.0 NE2 B:HIS217 2.6 96.6 1.0 OD1 B:ASN128 2.6 92.4 1.0 CE1 B:HIS245 2.6 96.6 1.0 HD21 B:ASN128 2.7 92.4 1.0 MN B:MN801 2.9 141.3 1.0 CG B:ASN128 3.0 92.4 1.0 ND2 B:ASN128 3.1 92.4 1.0 CG B:ASP60 3.4 93.6 1.0 CE1 B:HIS217 3.5 96.6 1.0 CD2 B:HIS217 3.5 96.6 1.0 CG B:HIS245 3.6 96.6 1.0 HE1 B:HIS217 3.6 96.6 1.0 HD2 B:HIS217 3.7 96.6 1.0 OD2 B:ASP20 3.7 91.1 1.0 HA B:HIS245 3.7 96.6 1.0 OD1 B:ASP60 3.8 93.6 1.0 H B:ASN128 3.8 92.4 1.0 HD22 B:ASN128 3.8 92.4 1.0 HE1 B:HIS22 3.8 92.7 1.0 NE2 B:HIS245 3.9 96.6 1.0 HE1 B:HIS247 4.1 96.8 1.0 CB B:ASN128 4.3 92.4 1.0 CB B:HIS245 4.3 96.6 1.0 HB2 B:HIS245 4.3 96.6 1.0 CD2 B:HIS245 4.4 96.6 1.0 H B:ASN129 4.4 98.5 1.0 HB3 B:ASN128 4.4 92.4 1.0 CA B:HIS245 4.4 96.6 1.0 O B:HIS245 4.5 96.6 1.0 N B:ASN128 4.5 92.4 1.0 CE1 B:HIS22 4.5 92.7 1.0 CB B:ASP60 4.6 93.6 1.0 ND1 B:HIS217 4.6 96.6 1.0 HB2 B:ASP60 4.6 93.6 1.0 HE2 B:HIS247 4.6 96.8 1.0 CE1 B:HIS247 4.7 96.8 1.0 CG B:HIS217 4.7 96.6 1.0 NE2 B:HIS22 4.7 92.7 1.0 CG B:ASP20 4.7 91.1 1.0 HD21 B:ASN129 4.8 98.5 1.0 ND2 B:ASN129 4.9 98.5 1.0 HB3 B:ASP60 4.9 93.6 1.0 C B:HIS245 4.9 96.6 1.0 NE2 B:HIS247 4.9 96.8 1.0 HA3 B:GLY127 5.0 95.2 1.0

M.Rotheneder, K.Stakyte, E.Van De Logt, J.D.Bartho, K.Lammens, Y.Fan, A.Alt, B.Kessler, C.Jung, W.P.Roos, B.Steigenberger, K.P.Hopfner. Cryo-Em Structure of the MRE11-RAD50-NBS1 Complex Reveals the Molecular Mechanism of Scaffolding Functions. Mol.Cell 2022.
ISSN: ISSN 1097-2765
PubMed: 36577401
DOI: 10.1016/J.MOLCEL.2022.12.003