Manganese in PDB 4fbw: Crystal Structure of An Unfused MRE11-NBS1 Complex with Two Manganese Ions Per Active Site

The structure of Crystal Structure of An Unfused MRE11-NBS1 Complex with Two Manganese Ions Per Active Site, PDB code: 4fbw 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)	47.54 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.122, 79.955, 220.930, 90.00, 90.00, 90.00
R / Rfree (%)	23.3 / 24.4

The binding sites of Manganese atom in the Crystal Structure of An Unfused MRE11-NBS1 Complex with Two Manganese Ions Per Active Site (pdb code 4fbw). 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 An Unfused MRE11-NBS1 Complex with Two Manganese Ions Per Active Site, PDB code: 4fbw:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of An Unfused MRE11-NBS1 Complex with Two Manganese Ions 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 An Unfused MRE11-NBS1 Complex with Two Manganese Ions Per Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:45.7 occ:1.00 OD1 A:ASN133 2.1 44.9 1.0 ND1 A:HIS250 2.3 49.7 1.0 OD2 A:ASP65 2.4 33.4 1.0 CE1 A:HIS222 2.5 40.1 1.0 CG A:ASN133 3.0 45.6 1.0 CE1 A:HIS250 3.0 49.4 1.0 CG A:ASP65 3.2 33.6 1.0 NE2 A:HIS222 3.2 39.7 1.0 ND2 A:ASN133 3.3 39.9 1.0 OD1 A:ASP65 3.4 32.1 1.0 CG A:HIS250 3.5 50.1 1.0 MN A:MN502 3.5 40.4 1.0 ND1 A:HIS222 3.5 41.0 1.0 CA A:HIS250 4.0 47.7 1.0 CB A:HIS250 4.0 48.8 1.0 OD2 A:ASP25 4.0 32.0 1.0 NE2 A:HIS250 4.3 50.5 1.0 O A:HIS250 4.3 48.9 1.0 CB A:ASN133 4.4 42.6 1.0 CD2 A:HIS222 4.4 39.8 1.0 N A:ASN133 4.5 42.1 1.0 CD2 A:HIS250 4.5 51.6 1.0 CD2 A:HIS134 4.5 47.2 1.0 CB A:ASP65 4.5 32.9 1.0 CG A:HIS222 4.6 40.2 1.0 C A:HIS250 4.7 49.8 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of An Unfused MRE11-NBS1 Complex with Two Manganese Ions 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 An Unfused MRE11-NBS1 Complex with Two Manganese Ions Per Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn502 b:40.4 occ:1.00 NE2 A:HIS252 2.2 40.7 1.0 OD2 A:ASP25 2.2 32.0 1.0 NE2 A:HIS27 2.2 30.8 1.0 OD2 A:ASP65 2.2 33.4 1.0 CE1 A:HIS252 3.1 39.8 1.0 CE1 A:HIS27 3.2 29.9 1.0 CG A:ASP65 3.2 33.6 1.0 CD2 A:HIS27 3.2 30.6 1.0 CD2 A:HIS252 3.2 41.8 1.0 CG A:ASP25 3.2 32.3 1.0 CB A:ASP65 3.5 32.9 1.0 MN A:MN501 3.5 45.7 1.0 CB A:ASP25 3.7 30.6 1.0 O A:HIS250 4.1 48.9 1.0 ND1 A:HIS252 4.3 40.4 1.0 ND1 A:HIS27 4.3 29.2 1.0 OD1 A:ASP65 4.3 32.1 1.0 OD1 A:ASP25 4.3 33.1 1.0 CG A:HIS252 4.3 41.1 1.0 CG A:HIS27 4.3 29.1 1.0 NE2 A:HIS222 4.5 39.7 1.0 CA A:ASP25 4.7 29.6 1.0 CA A:HIS250 4.8 47.7 1.0 CE1 A:HIS222 4.8 40.1 1.0 C A:HIS250 4.9 49.8 1.0 CA A:ASP65 5.0 31.7 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of An Unfused MRE11-NBS1 Complex with Two Manganese Ions Per Active Site


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 An Unfused MRE11-NBS1 Complex with Two Manganese Ions Per Active Site within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn501 b:40.6 occ:1.00 OD2 B:ASP65 2.2 31.3 1.0 OD1 B:ASN133 2.3 55.4 1.0 ND1 B:HIS250 2.4 36.5 1.0 CE1 B:HIS222 2.4 31.5 1.0 CE1 B:HIS250 3.1 36.5 1.0 NE2 B:HIS222 3.1 31.8 1.0 CG B:ASP65 3.2 30.4 1.0 CG B:ASN133 3.3 56.5 1.0 MN B:MN502 3.5 34.7 1.0 ND1 B:HIS222 3.5 31.9 1.0 OD1 B:ASP65 3.5 29.3 1.0 CG B:HIS250 3.5 36.2 1.0 OD1 B:ASP25 3.9 29.0 1.0 CB B:ASN133 4.0 53.1 1.0 CA B:HIS250 4.0 35.2 1.0 CB B:HIS250 4.0 35.2 1.0 N B:ASN133 4.2 53.1 1.0 ND2 B:ASN133 4.3 53.8 1.0 O B:HIS250 4.3 36.5 1.0 NE2 B:HIS250 4.3 36.9 1.0 CD2 B:HIS222 4.4 31.7 1.0 CD2 B:HIS134 4.5 38.1 1.0 CB B:ASP65 4.5 28.7 1.0 CD2 B:HIS250 4.5 36.9 1.0 CG B:HIS222 4.5 31.5 1.0 CA B:ASN133 4.6 53.2 1.0 C B:HIS250 4.7 36.6 1.0 N B:HIS134 4.8 36.9 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of An Unfused MRE11-NBS1 Complex with Two Manganese Ions Per Active Site


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 An Unfused MRE11-NBS1 Complex with Two Manganese Ions Per Active Site within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn502 b:34.7 occ:1.00 OD1 B:ASP25 2.1 29.0 1.0 NE2 B:HIS252 2.2 29.8 1.0 NE2 B:HIS27 2.3 29.5 1.0 OD2 B:ASP65 2.4 31.3 1.0 CE1 B:HIS27 3.1 29.2 1.0 CE1 B:HIS252 3.1 30.3 1.0 CD2 B:HIS252 3.2 30.1 1.0 CG B:ASP25 3.2 28.9 1.0 CG B:ASP65 3.3 30.4 1.0 CD2 B:HIS27 3.4 30.4 1.0 MN B:MN501 3.5 40.6 1.0 CB B:ASP65 3.5 28.7 1.0 CB B:ASP25 3.7 28.6 1.0 O B:HIS250 4.1 36.5 1.0 OD2 B:ASP25 4.3 28.6 1.0 ND1 B:HIS252 4.3 31.2 1.0 CG B:HIS252 4.3 30.6 1.0 ND1 B:HIS27 4.3 30.1 1.0 OD1 B:ASP65 4.4 29.3 1.0 CG B:HIS27 4.5 30.3 1.0 NE2 B:HIS222 4.5 31.8 1.0 CA B:ASP25 4.7 28.4 1.0 CA B:HIS250 4.8 35.2 1.0 C B:HIS250 4.8 36.6 1.0 CE1 B:HIS222 4.8 31.5 1.0 OD1 B:ASN133 4.9 55.4 1.0 CD2 B:HIS134 4.9 38.1 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