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

Protein crystallography data

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

Manganese Binding Sites:

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 4fbk

Go back to Manganese Binding Sites List in 4fbk
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 4fbk

Go back to Manganese Binding Sites List in 4fbk
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

Reference:

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
Page generated: Tue Dec 15 04:20:32 2020

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