Manganese in PDB 4fbk: Crystal Structure of A Covalently Fused NBS1-MRE11 Complex with One Manganese Ion Per Active Site

The structure of Crystal Structure of A Covalently Fused NBS1-MRE11 Complex with One Manganese Ion Per Active Site, PDB code: 4fbk was solved by C.B.Schiller, K.Lammens, K.P.Hopfner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.88 / 2.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.261, 78.872, 222.678, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 24.2

The binding sites of Manganese atom in the Crystal Structure of A Covalently Fused NBS1-MRE11 Complex with One Manganese Ion Per Active Site (pdb code 4fbk). 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 A Covalently Fused NBS1-MRE11 Complex with One Manganese Ion Per Active Site, PDB code: 4fbk:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of A Covalently Fused NBS1-MRE11 Complex with One Manganese Ion Per Active Site


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 A Covalently Fused NBS1-MRE11 Complex with One Manganese Ion Per Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1504 b:97.1 occ:1.00 OD2 A:ASP1025 2.6 36.1 1.0 OD2 A:ASP1065 2.9 41.0 1.0 NE2 A:HIS1252 3.0 41.4 1.0 O A:HIS1250 3.2 37.4 1.0 ND1 A:HIS1250 3.4 38.2 1.0 NE2 A:HIS1027 3.5 28.4 1.0 CE1 A:HIS1027 3.6 28.1 1.0 CD2 A:HIS1252 3.7 41.5 1.0 O A:HOH1689 3.7 50.7 1.0 CE1 A:HIS1250 3.8 39.2 1.0 CG A:ASP1025 3.9 32.5 1.0 CA A:HIS1250 3.9 33.2 1.0 C A:HIS1250 4.0 37.4 1.0 CE1 A:HIS1252 4.1 42.0 1.0 CG A:ASP1065 4.1 37.1 1.0 CG A:HIS1250 4.1 37.6 1.0 NE2 A:HIS1222 4.2 31.5 1.0 CE1 A:HIS1222 4.3 32.1 1.0 CB A:HIS1250 4.6 34.4 1.0 OD1 A:ASP1025 4.6 31.9 1.0 CB A:ASP1065 4.7 32.8 1.0 NE2 A:HIS1250 4.7 40.5 1.0 CD2 A:HIS1027 4.8 28.1 1.0 CG A:HIS1252 4.9 41.1 1.0 CD2 A:HIS1250 4.9 40.2 1.0 CB A:ASP1025 4.9 27.7 1.0 ND1 A:HIS1027 4.9 28.4 1.0 N A:HIS1250 5.0 31.8 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of A Covalently Fused NBS1-MRE11 Complex with One Manganese Ion Per Active Site


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 A Covalently Fused NBS1-MRE11 Complex with One Manganese Ion Per Active Site within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1502 b:0.2 occ:1.00 OD1 B:ASP1025 2.6 37.5 1.0 OD2 B:ASP1065 2.9 42.2 1.0 NE2 B:HIS1252 3.2 40.0 1.0 O B:HIS1250 3.2 42.2 1.0 ND1 B:HIS1250 3.3 41.7 1.0 NE2 B:HIS1027 3.5 31.6 1.0 CE1 B:HIS1027 3.6 30.1 1.0 CE1 B:HIS1250 3.8 41.2 1.0 CG B:ASP1025 3.8 37.5 1.0 CD2 B:HIS1252 3.8 41.8 1.0 CA B:HIS1250 3.8 41.2 1.0 NE2 B:HIS1222 3.9 34.7 1.0 C B:HIS1250 4.0 43.9 1.0 CG B:ASP1065 4.0 42.1 1.0 CG B:HIS1250 4.0 42.4 1.0 CE1 B:HIS1222 4.0 34.2 1.0 CE1 B:HIS1252 4.3 39.8 1.0 CB B:HIS1250 4.4 41.5 1.0 OD2 B:ASP1025 4.4 36.4 1.0 CB B:ASP1065 4.6 38.0 1.0 NE2 B:HIS1250 4.7 43.0 1.0 CD2 B:HIS1027 4.8 31.4 1.0 CD2 B:HIS1250 4.8 44.5 1.0 CB B:ASP1025 4.9 33.9 1.0 N B:HIS1250 4.9 41.9 1.0 ND1 B:HIS1027 4.9 29.9 1.0 OD1 B:ASP1065 5.0 42.3 1.0

C.B.Schiller, K.Lammens, I.Guerini, B.Coordes, H.Feldmann, F.Schlauderer, C.Mockel, A.Schele, K.Strasser, S.P.Jackson, K.P.Hopfner. Structure of MRE11-NBS1 Complex Yields Insights Into Ataxia-Telangiectasia-Like Disease Mutations and Dna Damage Signaling. Nat.Struct.Mol.Biol. V. 19 693 2012.
ISSN: ISSN 1545-9993
PubMed: 22705791
DOI: 10.1038/NSMB.2323