Magnesium in PDB 3iuk: Crystal Structure of Putative Bacterial Protein of Unknown Function (DUF885, PF05960.1, ) From Arthrobacter Aurescens TC1, Reveals Fold Similar to That of M32 Carboxypeptidases

The structure of Crystal Structure of Putative Bacterial Protein of Unknown Function (DUF885, PF05960.1, ) From Arthrobacter Aurescens TC1, Reveals Fold Similar to That of M32 Carboxypeptidases, PDB code: 3iuk was solved by B.Nocek, G.Chhor, G.Cobb, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.614, 85.394, 115.489, 90.00, 90.78, 90.00
R / Rfree (%)	16.3 / 22

The binding sites of Magnesium atom in the Crystal Structure of Putative Bacterial Protein of Unknown Function (DUF885, PF05960.1, ) From Arthrobacter Aurescens TC1, Reveals Fold Similar to That of M32 Carboxypeptidases (pdb code 3iuk). 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 Putative Bacterial Protein of Unknown Function (DUF885, PF05960.1, ) From Arthrobacter Aurescens TC1, Reveals Fold Similar to That of M32 Carboxypeptidases, PDB code: 3iuk:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Putative Bacterial Protein of Unknown Function (DUF885, PF05960.1, ) From Arthrobacter Aurescens TC1, Reveals Fold Similar to That of M32 Carboxypeptidases


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 Putative Bacterial Protein of Unknown Function (DUF885, PF05960.1, ) From Arthrobacter Aurescens TC1, Reveals Fold Similar to That of M32 Carboxypeptidases within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg560 b:19.3 occ:1.00 O A:HOH567 2.0 2.3 1.0 O A:HOH568 2.1 14.1 1.0 OE2 A:GLU386 2.2 6.1 1.0 O A:HOH562 2.3 3.6 1.0 NE2 A:HIS391 2.3 7.5 1.0 O A:HOH566 2.3 12.3 1.0 CD2 A:HIS391 3.1 10.3 1.0 CD A:GLU386 3.1 8.7 1.0 OE1 A:GLU386 3.4 10.2 1.0 CE1 A:HIS391 3.5 8.2 1.0 NE2 A:HIS385 3.9 6.2 1.0 O A:HOH867 3.9 14.7 1.0 O A:HOH576 3.9 28.0 1.0 OE1 A:GLU420 4.0 12.5 1.0 OE2 A:GLU420 4.2 22.4 1.0 CD2 A:HIS385 4.2 5.9 1.0 CG A:HIS391 4.3 5.4 1.0 O A:HOH976 4.3 14.0 1.0 ND1 A:HIS391 4.5 5.0 1.0 CG A:GLU386 4.5 7.2 1.0 CD A:GLU420 4.6 15.1 1.0 O A:HOH750 4.7 24.4 1.0 O A:HOH1078 4.8 20.9 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Putative Bacterial Protein of Unknown Function (DUF885, PF05960.1, ) From Arthrobacter Aurescens TC1, Reveals Fold Similar to That of M32 Carboxypeptidases


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 Putative Bacterial Protein of Unknown Function (DUF885, PF05960.1, ) From Arthrobacter Aurescens TC1, Reveals Fold Similar to That of M32 Carboxypeptidases within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg561 b:35.5 occ:1.00 O B:HOH1750 2.0 15.5 1.0 O A:HOH575 2.1 31.9 1.0 O B:HOH786 2.2 18.9 1.0 O A:HOH1619 2.2 25.9 1.0 O A:HOH767 2.2 13.9 1.0 O B:HOH700 2.2 22.2 1.0 O B:HOH578 3.7 26.6 1.0 O A:HOH733 4.0 8.3 1.0 OD2 B:ASP156 4.0 12.1 1.0 NE2 A:GLN264 4.1 18.6 1.0 O B:HOH736 4.2 26.5 1.0 OD1 B:ASP156 4.4 5.7 1.0 OE2 A:GLU267 4.4 29.6 1.0 CG B:ASP156 4.6 9.9 1.0 CB A:GLN264 4.6 9.1 1.0 NZ B:LYS158 4.7 11.4 1.0 CG A:GLN264 4.8 11.0 1.0 CD A:GLN264 4.8 17.9 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Putative Bacterial Protein of Unknown Function (DUF885, PF05960.1, ) From Arthrobacter Aurescens TC1, Reveals Fold Similar to That of M32 Carboxypeptidases


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 Putative Bacterial Protein of Unknown Function (DUF885, PF05960.1, ) From Arthrobacter Aurescens TC1, Reveals Fold Similar to That of M32 Carboxypeptidases within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg560 b:18.5 occ:1.00 O B:HOH704 2.1 2.0 1.0 O B:HOH1034 2.2 12.7 1.0 OE2 B:GLU386 2.2 9.9 1.0 O B:HOH975 2.3 7.2 1.0 O B:HOH1064 2.3 12.2 1.0 NE2 B:HIS391 2.3 6.4 1.0 CD B:GLU386 3.1 9.8 1.0 CD2 B:HIS391 3.1 8.6 1.0 OE1 B:GLU386 3.4 9.6 1.0 CE1 B:HIS391 3.4 7.5 1.0 O B:HOH885 3.8 28.3 1.0 O B:HOH1523 3.9 12.5 1.0 NE2 B:HIS385 3.9 7.6 1.0 OE1 B:GLU420 4.0 14.7 1.0 O B:HOH1060 4.2 15.8 1.0 OE2 B:GLU420 4.2 21.5 1.0 CD2 B:HIS385 4.2 3.4 1.0 CG B:HIS391 4.4 5.7 1.0 ND1 B:HIS391 4.5 9.4 1.0 CG B:GLU386 4.5 7.1 1.0 CD B:GLU420 4.6 15.5 1.0

B.Nocek, G.Chhor, G.Cobb, A.Joachimiak. Crystal Structure of Putative Bacterial Protein of Unknown Function (DUF885, PF05960.1, ) From Arthrobacter Aurescens TC1, Reveals Fold Similar to That of M32 Carboxypeptidases To Be Published.