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Magnesium in PDB 3ijs: Structure of S67-27 in Complex with Tsbp

Protein crystallography data

The structure of Structure of S67-27 in Complex with Tsbp, PDB code: 3ijs was solved by C.L.Brooks, R.J.Blackler, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.93 / 2.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.320, 127.910, 156.460, 90.00, 90.00, 90.00
R / Rfree (%) 21.7 / 26.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of S67-27 in Complex with Tsbp (pdb code 3ijs). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of S67-27 in Complex with Tsbp, PDB code: 3ijs:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3ijs

Go back to Magnesium Binding Sites List in 3ijs
Magnesium binding site 1 out of 2 in the Structure of S67-27 in Complex with Tsbp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of S67-27 in Complex with Tsbp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg214

b:29.8
occ:1.00
OE2 B:GLU58 2.8 28.7 1.0
O B:HOH277 3.0 25.1 1.0
O B:THR57 3.1 23.7 1.0
CD B:GLU58 3.3 25.1 1.0
OE1 B:GLU58 3.4 23.7 1.0
NH1 B:ARG52 4.1 23.6 1.0
CB B:THR56 4.2 21.3 1.0
C B:THR57 4.2 23.8 1.0
CG B:GLU58 4.5 24.0 1.0
N B:THR57 4.5 22.4 1.0
OG1 B:THR56 4.8 20.2 1.0
CG2 B:THR56 4.9 21.0 1.0
C B:THR56 4.9 23.6 1.0

Magnesium binding site 2 out of 2 in 3ijs

Go back to Magnesium Binding Sites List in 3ijs
Magnesium binding site 2 out of 2 in the Structure of S67-27 in Complex with Tsbp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of S67-27 in Complex with Tsbp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg214

b:29.9
occ:1.00
OE1 D:GLU58 2.9 16.5 1.0
O D:HOH422 3.0 29.4 1.0
OE2 D:GLU58 3.3 21.3 1.0
CD D:GLU58 3.5 21.9 1.0
O D:THR57 4.2 22.8 1.0
O D:HOH215 4.6 17.2 1.0
CG D:GLU58 4.9 23.2 1.0

Reference:

C.L.Brooks, R.J.Blackler, G.Sixta, P.Kosma, S.Muller-Loennies, L.Brade, T.Hirama, C.R.Mackenzie, H.Brade, S.V.Evans. The Role of Cdr H3 in Antibody Recognition of A Synthetic Analog of A Lipopolysaccharide Antigen. Glycobiology V. 20 138 2010.
ISSN: ISSN 0959-6658
PubMed: 19767317
DOI: 10.1093/GLYCOB/CWP150
Page generated: Mon Dec 14 08:17:08 2020

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