Magnesium in PDB 3fk7: Crystal Structure of Tetr Triple Mutant (H64K, S135L, S138I) in Complex with 4-Ddma-Atc

The structure of Crystal Structure of Tetr Triple Mutant (H64K, S135L, S138I) in Complex with 4-Ddma-Atc, PDB code: 3fk7 was solved by M.A.Klieber, O.Scholz, S.Lochner, P.Gmeiner, W.Hillen, Y.A.Muller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.06
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	130.220, 59.380, 63.780, 90.00, 97.85, 90.00
R / Rfree (%)	20.3 / 26.1

The binding sites of Magnesium atom in the Crystal Structure of Tetr Triple Mutant (H64K, S135L, S138I) in Complex with 4-Ddma-Atc (pdb code 3fk7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Tetr Triple Mutant (H64K, S135L, S138I) in Complex with 4-Ddma-Atc, PDB code: 3fk7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Tetr Triple Mutant (H64K, S135L, S138I) in Complex with 4-Ddma-Atc


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 Triple Mutant (H64K, S135L, S138I) in Complex with 4-Ddma-Atc within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg209 b:51.2 occ:1.00 O11 A:4DM210 2.2 51.1 1.0 O12 A:4DM210 2.3 52.5 1.0 NE2 A:HIS100 2.5 32.6 1.0 OE2 B:GLU147 3.2 40.6 1.0 C12 A:4DM210 3.3 51.4 1.0 C11 A:4DM210 3.3 51.4 1.0 CD2 A:HIS100 3.3 32.9 1.0 CE1 A:HIS100 3.6 33.9 1.0 C1B A:4DM210 3.7 51.1 1.0 O10 A:4DM210 4.0 51.3 1.0 CG2 A:ILE138 4.1 19.8 1.0 CD B:GLU147 4.2 35.4 1.0 OG1 A:THR103 4.3 33.8 1.0 O A:THR103 4.3 39.1 1.0 O A:HOH245 4.3 36.8 1.0 C1A A:4DM210 4.5 51.3 1.0 OE1 B:GLU147 4.5 35.9 1.0 CG A:HIS100 4.6 30.7 1.0 C1C A:4DM210 4.6 50.6 1.0 O A:HOH247 4.6 38.2 1.0 ND1 A:HIS100 4.7 31.8 1.0 O1C A:4DM210 4.7 47.8 1.0 C10 A:4DM210 4.7 51.4 1.0 CD1 A:ILE138 4.8 23.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Tetr Triple Mutant (H64K, S135L, S138I) in Complex with 4-Ddma-Atc


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 Triple Mutant (H64K, S135L, S138I) in Complex with 4-Ddma-Atc within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg209 b:33.0 occ:0.50 O12 B:4DM210 1.8 40.8 0.5 O B:HOH302 1.8 27.7 0.5 O B:HOH321 2.5 52.3 1.0 NE2 B:HIS100 2.5 19.5 0.5 O B:HOH298 2.8 30.6 0.5 O11 B:4DM210 2.8 41.5 0.5 C12 B:4DM210 3.0 41.3 0.5 CD2 B:HIS100 3.4 22.2 0.5 CE1 B:HIS100 3.5 21.3 0.5 C11 B:4DM210 3.7 41.5 0.5 C1B B:4DM210 3.8 41.4 0.5 O1C B:4DM210 4.0 40.3 0.5 O B:THR103 4.0 29.8 1.0 C1C B:4DM210 4.1 40.7 0.5 OG1 B:THR103 4.4 28.4 1.0 CG2 B:ILE138 4.4 23.7 1.0 OE2 A:GLU147 4.5 39.6 1.0 CG B:HIS100 4.6 23.4 0.5 CD1 B:ILE138 4.6 23.7 1.0 ND1 B:HIS100 4.6 19.7 0.5 O1 B:4DM210 4.8 38.0 0.5 O B:HOH238 4.8 38.2 1.0 C B:THR103 4.9 29.5 1.0 O B:HOH212 4.9 41.3 0.5 O10 B:4DM210 4.9 41.5 0.5 C1A B:4DM210 5.0 41.4 0.5 C1 B:4DM210 5.0 40.8 0.5

M.A.Klieber, O.Scholz, S.Lochner, P.Gmeiner, W.Hillen, Y.A.Muller. Structural Origins For Selectivity and Specificity in An Engineered Bacterial Repressor-Inducer Pair. Febs J. V. 276 5610 2009.
ISSN: ISSN 1742-464X
PubMed: 19712110
DOI: 10.1111/J.1742-4658.2009.07254.X