Magnesium in PDB 4hcj: Crystal Structure of Thij/Pfpi Domain Protein From Brachyspira Murdochii

The structure of Crystal Structure of Thij/Pfpi Domain Protein From Brachyspira Murdochii, PDB code: 4hcj was solved by Y.Kim, L.Bigelow, R.Jedrzejczak, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.28 / 1.12
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.799, 42.197, 66.366, 90.00, 116.95, 90.00
R / Rfree (%)	11.6 / 12.7

The structure of Crystal Structure of Thij/Pfpi Domain Protein From Brachyspira Murdochii also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Thij/Pfpi Domain Protein From Brachyspira Murdochii (pdb code 4hcj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Thij/Pfpi Domain Protein From Brachyspira Murdochii, PDB code: 4hcj:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Thij/Pfpi Domain Protein From Brachyspira Murdochii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Thij/Pfpi Domain Protein From Brachyspira Murdochii within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:12.3 occ:0.60 O A:HOH515 2.0 21.2 1.0 O A:HOH517 2.0 29.6 1.0 O A:HOH473 2.0 23.1 1.0 O A:HOH499 2.1 22.3 1.0 O A:HOH516 2.1 19.2 1.0 O A:HOH409 2.1 17.3 1.0 OE2 A:GLU118 4.1 15.9 1.0 O A:HOH380 4.2 18.6 1.0 O A:HOH381 4.3 18.5 1.0 O A:HOH336 4.3 15.3 1.0 OE1 A:GLU118 4.4 17.5 1.0 NZ A:LYS115 4.4 21.2 0.3 O A:HOH357 4.6 16.6 1.0 CD A:GLU118 4.7 13.9 1.0 ND2 A:ASN136 4.7 11.1 1.0 CE A:LYS115 4.8 18.6 0.3

Magnesium binding site 2 out of 3 in the Crystal Structure of Thij/Pfpi Domain Protein From Brachyspira Murdochii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Thij/Pfpi Domain Protein From Brachyspira Murdochii within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:9.6 occ:1.00 O A:HOH370 2.0 13.9 1.0 O A:HOH358 2.0 12.3 1.0 O A:HOH313 2.1 10.3 1.0 O A:HOH308 2.1 9.7 1.0 O A:HOH312 2.1 9.6 1.0 OE1 A:GLU119 3.9 7.9 1.0 OE2 A:GLU119 4.3 9.6 1.0 O A:HOH306 4.3 8.7 1.0 O A:HOH501 4.3 32.3 1.0 O A:HOH331 4.3 19.5 1.0 OD1 A:ASN138 4.4 9.2 1.0 O A:ASN136 4.5 6.5 1.0 CD A:GLU119 4.5 7.8 1.0 OD1 A:ASN136 4.6 9.8 1.0 O A:HOH556 4.6 39.3 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Thij/Pfpi Domain Protein From Brachyspira Murdochii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Thij/Pfpi Domain Protein From Brachyspira Murdochii within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:11.8 occ:0.37 O A:HOH504 1.9 32.2 1.0 NE2 A:HIS134 2.2 9.5 1.0 O A:HOH527 2.6 47.9 1.0 O A:HOH586 3.1 53.6 1.0 CE1 A:HIS134 3.1 8.4 1.0 CD2 A:HIS134 3.2 8.7 1.0 O A:HOH413 4.1 22.3 1.0 O A:HOH431 4.1 22.3 1.0 NZ A:LYS115 4.2 28.2 0.7 ND1 A:HIS134 4.3 8.1 1.0 CG A:HIS134 4.4 7.4 1.0 O A:HOH566 4.6 44.7 1.0

Y.Kim, L.Bigelow, R.Jedrzejczak, A.Joachimiak. Crystal Structure of Thij/Pfpi Domain Protein From Brachyspira Murdochii To Be Published.