Magnesium in PDB 3rfs: Design of A Binding Scaffold Based on Variable Lymphocyte Receptors of Jawless Vertebrates By Module Engineering

The structure of Design of A Binding Scaffold Based on Variable Lymphocyte Receptors of Jawless Vertebrates By Module Engineering, PDB code: 3rfs was solved by H.J.Kim, H.K.Cheong, Y.H.Jeon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.83 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.733, 107.693, 71.277, 90.00, 91.06, 90.00
R / Rfree (%)	19.7 / 24.2

The binding sites of Magnesium atom in the Design of A Binding Scaffold Based on Variable Lymphocyte Receptors of Jawless Vertebrates By Module Engineering (pdb code 3rfs). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Design of A Binding Scaffold Based on Variable Lymphocyte Receptors of Jawless Vertebrates By Module Engineering, PDB code: 3rfs:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Design of A Binding Scaffold Based on Variable Lymphocyte Receptors of Jawless Vertebrates By Module Engineering


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Design of A Binding Scaffold Based on Variable Lymphocyte Receptors of Jawless Vertebrates By Module Engineering within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:12.8 occ:1.00 O A:HOH388 1.9 16.6 1.0 O A:HOH389 1.9 13.0 1.0 O A:HOH292 2.0 9.3 1.0 O A:HOH387 2.1 12.2 1.0 O B:HOH366 2.1 15.4 1.0 O A:HOH335 2.3 13.6 1.0 OG1 A:THR136 3.9 7.6 1.0 OG1 A:THR160 4.0 10.3 1.0 O B:HOH367 4.1 14.6 1.0 OE2 A:GLU161 4.2 9.6 1.0 O B:HOH349 4.3 17.4 1.0 OE1 A:GLU161 4.3 10.6 1.0 OG B:SER42 4.3 12.5 1.0 O B:LEU26 4.4 9.6 1.0 CB A:THR136 4.5 9.4 1.0 CD A:GLU161 4.7 11.0 1.0 OE1 A:GLU113 4.7 20.2 1.0 CB B:SER42 4.8 9.1 1.0 CD B:LYS27 4.9 17.4 1.0 CG B:LYS27 4.9 13.8 1.0 C B:LEU26 5.0 9.4 1.0

Magnesium binding site 2 out of 2 in the Design of A Binding Scaffold Based on Variable Lymphocyte Receptors of Jawless Vertebrates By Module Engineering


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Design of A Binding Scaffold Based on Variable Lymphocyte Receptors of Jawless Vertebrates By Module Engineering within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:11.7 occ:1.00 O B:HOH364 1.9 12.0 1.0 O B:HOH365 2.0 14.7 1.0 O B:HOH278 2.1 8.1 1.0 O B:HOH363 2.1 14.7 1.0 O A:HOH373 2.1 17.0 1.0 O B:HOH352 2.3 18.4 1.0 OG1 B:THR136 4.0 8.6 1.0 OG1 B:THR160 4.1 11.2 1.0 OE2 B:GLU161 4.1 12.4 1.0 OE1 B:GLU161 4.2 13.7 1.0 O A:HOH313 4.3 16.9 1.0 O A:LEU26 4.3 12.0 1.0 OG A:SER42 4.4 12.4 1.0 OE1 B:GLU113 4.4 15.7 1.0 O A:HOH332 4.4 15.2 1.0 CG A:LYS27 4.5 18.3 1.0 CD B:GLU161 4.6 10.6 1.0 CD A:LYS27 4.6 25.1 1.0 CB B:THR136 4.7 6.1 1.0 CB A:SER42 4.8 8.4 1.0 C A:LEU26 5.0 9.3 1.0

S.C.Lee, K.Park, J.Han, J.J.Lee, H.J.Kim, S.Hong, W.Heu, Y.J.Kim, J.S.Ha, S.G.Lee, H.K.Cheong, Y.H.Jeon, D.Kim, H.S.Kim. Design of A Binding Scaffold Based on Variable Lymphocyte Receptors of Jawless Vertebrates By Module Engineering Proc.Natl.Acad.Sci.Usa V. 109 3299 2012.
ISSN: ISSN 0027-8424
PubMed: 22328160
DOI: 10.1073/PNAS.1113193109