Magnesium in PDB 6rxb: Crystal Structure of Tetr-Q116A From Acinetobacter Baumannii Aye in Complex with Minocycline

The structure of Crystal Structure of Tetr-Q116A From Acinetobacter Baumannii Aye in Complex with Minocycline, PDB code: 6rxb was solved by H.K.Tam, S.Himpich, K.M.Pos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.41 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.543, 64.227, 220.954, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 27.6

The structure of Crystal Structure of Tetr-Q116A From Acinetobacter Baumannii Aye in Complex with Minocycline also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Tetr-Q116A From Acinetobacter Baumannii Aye in Complex with Minocycline (pdb code 6rxb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Tetr-Q116A From Acinetobacter Baumannii Aye in Complex with Minocycline, PDB code: 6rxb:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Tetr-Q116A From Acinetobacter Baumannii Aye in Complex with Minocycline


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 Tetr-Q116A From Acinetobacter Baumannii Aye in Complex with Minocycline within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:33.6 occ:1.00 O B:HOH402 1.9 35.4 1.0 O A:HOH402 2.0 38.1 1.0 O5 B:MIY301 2.1 44.2 1.0 O B:HOH433 2.2 45.8 1.0 O6 B:MIY301 2.2 44.0 1.0 NE2 B:HIS100 2.4 37.9 1.0 CD2 B:HIS100 3.2 37.5 1.0 C15 B:MIY301 3.2 44.4 1.0 CE1 B:HIS100 3.3 38.1 1.0 C17 B:MIY301 3.3 44.1 1.0 O B:THR103 3.6 47.2 1.0 OE2 A:GLU147 3.6 45.5 1.0 C16 B:MIY301 3.7 44.2 1.0 OG1 B:THR103 4.0 45.0 1.0 O4 B:MIY301 4.2 44.8 1.0 CG B:HIS100 4.3 37.5 1.0 ND1 B:HIS100 4.3 38.0 1.0 OE1 A:GLU147 4.4 46.5 1.0 CD A:GLU147 4.4 45.2 1.0 C14 B:MIY301 4.5 44.6 1.0 C18 B:MIY301 4.6 44.1 1.0 O7 B:MIY301 4.6 44.0 1.0 OG B:SER138 4.7 37.8 1.0 C B:THR103 4.7 48.0 1.0 O B:HIS100 4.7 39.6 1.0 C13 B:MIY301 4.8 44.6 1.0 CB B:SER138 4.8 37.0 1.0 O1 B:MIY301 4.8 44.1 1.0 NH1 B:ARG104 4.8 49.1 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Tetr-Q116A From Acinetobacter Baumannii Aye in Complex with Minocycline


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 Tetr-Q116A From Acinetobacter Baumannii Aye in Complex with Minocycline within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg302 b:46.9 occ:1.00 O D:HOH401 1.9 55.6 1.0 O C:HOH406 2.0 45.5 1.0 O5 D:MIY301 2.0 52.2 1.0 O D:HOH414 2.1 49.6 1.0 NE2 D:HIS100 2.5 51.2 1.0 O6 D:MIY301 2.7 52.1 1.0 CD2 D:HIS100 3.2 50.6 1.0 C15 D:MIY301 3.3 52.3 1.0 O D:THR103 3.3 60.5 1.0 CE1 D:HIS100 3.4 52.6 1.0 OE2 C:GLU147 3.6 54.1 1.0 C17 D:MIY301 3.7 52.1 1.0 O4 D:MIY301 3.8 52.6 1.0 C16 D:MIY301 3.9 52.2 1.0 OG1 D:THR103 4.0 59.7 1.0 OE1 C:GLU147 4.0 56.1 1.0 CD C:GLU147 4.2 54.0 1.0 CG D:HIS100 4.3 51.5 1.0 ND1 D:HIS100 4.3 52.7 1.0 C D:THR103 4.3 62.6 1.0 C14 D:MIY301 4.4 52.3 1.0 O D:HIS100 4.5 54.3 1.0 C13 D:MIY301 4.6 52.4 1.0 OG D:SER138 4.7 45.4 1.0 CB D:SER138 5.0 45.1 1.0 O7 D:MIY301 5.0 51.9 1.0 C18 D:MIY301 5.0 52.1 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Tetr-Q116A From Acinetobacter Baumannii Aye in Complex with Minocycline


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 Tetr-Q116A From Acinetobacter Baumannii Aye in Complex with Minocycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:40.6 occ:1.00 O B:HOH401 1.9 39.8 1.0 O B:HOH406 1.9 40.0 1.0 O5 A:MIY301 2.0 50.7 1.0 O A:HOH423 2.2 44.5 1.0 O6 A:MIY301 2.3 50.2 1.0 NE2 A:HIS100 2.4 38.7 1.0 C15 A:MIY301 3.2 50.9 1.0 CD2 A:HIS100 3.3 38.5 1.0 CE1 A:HIS100 3.3 38.9 1.0 C17 A:MIY301 3.4 50.3 1.0 C16 A:MIY301 3.7 50.5 1.0 O A:THR103 3.9 47.5 1.0 OE1 B:GLU147 3.9 42.2 1.0 OE2 B:GLU147 4.0 41.2 1.0 O4 A:MIY301 4.0 51.5 1.0 OG1 A:THR103 4.2 45.4 1.0 ND1 A:HIS100 4.3 38.8 1.0 CG A:HIS100 4.3 38.6 1.0 C14 A:MIY301 4.4 51.1 1.0 CD B:GLU147 4.4 41.0 1.0 O7 A:MIY301 4.6 50.2 1.0 C18 A:MIY301 4.6 50.1 1.0 C13 A:MIY301 4.7 51.3 1.0 OG A:SER138 4.8 37.3 1.0 O A:HIS100 4.8 39.4 1.0 CB A:SER138 4.9 36.8 1.0 C A:THR103 4.9 47.9 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Tetr-Q116A From Acinetobacter Baumannii Aye in Complex with Minocycline


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Tetr-Q116A From Acinetobacter Baumannii Aye in Complex with Minocycline within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg302 b:39.4 occ:1.00 O D:HOH404 2.0 37.4 1.0 O5 C:MIY301 2.1 45.5 1.0 O C:HOH420 2.1 36.1 1.0 O C:HOH401 2.3 48.9 1.0 O6 C:MIY301 2.3 45.1 1.0 NE2 C:HIS100 2.4 43.2 1.0 C15 C:MIY301 3.2 45.5 1.0 CE1 C:HIS100 3.3 43.4 1.0 CD2 C:HIS100 3.3 43.3 1.0 C17 C:MIY301 3.4 45.2 1.0 O C:THR103 3.5 52.6 1.0 C16 C:MIY301 3.8 45.3 1.0 OE1 D:GLU147 3.8 49.3 1.0 OG1 C:THR103 4.1 50.0 1.0 O4 C:MIY301 4.1 45.9 1.0 OE2 D:GLU147 4.1 47.2 1.0 ND1 C:HIS100 4.3 43.4 1.0 CG C:HIS100 4.4 43.4 1.0 CD D:GLU147 4.4 47.5 1.0 C14 C:MIY301 4.5 45.6 1.0 C C:THR103 4.5 53.2 1.0 C18 C:MIY301 4.7 45.0 1.0 OG C:SER138 4.7 40.6 1.0 O7 C:MIY301 4.7 44.8 1.0 O C:HIS100 4.7 45.6 1.0 C13 C:MIY301 4.8 45.8 1.0 CB C:SER138 4.8 39.9 1.0 O1 C:MIY301 4.9 45.0 1.0

H.K.Tam, S.Himpich, K.M.Pos. Crystal Structure of Tetr-Q116A From Acinetobacter Baumannii Aye in Complex with Minocycline To Be Published.