Magnesium in PDB 4gxq: Crystal Structure of Atp Bound Rpmatb-Bxbclm Chimera B1

The structure of Crystal Structure of Atp Bound Rpmatb-Bxbclm Chimera B1, PDB code: 4gxq was solved by K.C.Rank, H.A.Crosby, J.C.Escalante-Semerena, I.Rayment, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.95 / 2.00
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	299.305, 299.305, 47.909, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 25.4

The binding sites of Magnesium atom in the Crystal Structure of Atp Bound Rpmatb-Bxbclm Chimera B1 (pdb code 4gxq). 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 Atp Bound Rpmatb-Bxbclm Chimera B1, PDB code: 4gxq:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Atp Bound Rpmatb-Bxbclm Chimera B1


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 Atp Bound Rpmatb-Bxbclm Chimera B1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:29.5 occ:1.00 O2G A:ATP601 1.9 31.9 1.0 O2B A:ATP601 2.0 23.4 1.0 O A:HOH971 2.0 26.6 1.0 O A:HOH982 2.2 23.3 1.0 O A:HOH979 2.2 22.1 1.0 O A:HOH791 2.2 27.3 1.0 PG A:ATP601 3.1 29.0 1.0 PB A:ATP601 3.2 26.9 1.0 O3B A:ATP601 3.5 23.6 1.0 O3G A:ATP601 3.5 32.5 1.0 O3A A:ATP601 3.6 34.7 1.0 NH2 A:ARG397 4.0 27.5 1.0 CH1 A:MLY171 4.2 42.4 1.0 OE2 A:GLU304 4.3 25.6 1.0 O A:HOH858 4.3 28.8 1.0 O1G A:ATP601 4.4 23.6 1.0 O3' A:ATP601 4.4 22.9 1.0 OE1 A:GLU304 4.5 23.6 1.0 O1B A:ATP601 4.5 26.1 1.0 C5' A:ATP601 4.5 28.8 1.0 O1A A:ATP601 4.5 25.4 1.0 PA A:ATP601 4.5 27.5 1.0 CE A:MET302 4.6 26.1 1.0 O5' A:ATP601 4.6 29.3 1.0 C4' A:ATP601 4.7 29.9 1.0 CG2 A:THR163 4.8 28.4 1.0 CB A:THR163 4.8 27.8 1.0 CD A:GLU304 4.8 24.6 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Atp Bound Rpmatb-Bxbclm Chimera B1


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 Atp Bound Rpmatb-Bxbclm Chimera B1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:17.0 occ:1.00 O2G B:ATP601 2.0 14.1 1.0 O2B B:ATP601 2.1 10.4 1.0 O B:HOH1209 2.1 12.6 1.0 O B:HOH1208 2.2 12.3 1.0 O B:HOH1210 2.2 12.8 1.0 O B:HOH1211 2.2 13.3 1.0 PG B:ATP601 3.1 19.9 1.0 PB B:ATP601 3.3 16.0 1.0 O3G B:ATP601 3.6 15.1 1.0 O3B B:ATP601 3.6 15.8 1.0 O3A B:ATP601 3.8 18.3 1.0 NH2 B:ARG397 4.0 19.2 1.0 O B:HOH784 4.1 19.3 1.0 CH1 B:MLY171 4.2 30.9 1.0 OE2 B:GLU304 4.3 14.7 1.0 O B:HOH1059 4.3 36.2 1.0 CE B:MET302 4.4 18.2 1.0 OE1 B:GLU304 4.4 14.2 1.0 O B:HOH1180 4.4 45.9 1.0 O1G B:ATP601 4.5 15.9 1.0 O1A B:ATP601 4.5 15.3 1.0 C5' B:ATP601 4.5 13.2 1.0 O3' B:ATP601 4.5 12.5 1.0 O1B B:ATP601 4.6 14.1 1.0 O5' B:ATP601 4.6 20.9 1.0 PA B:ATP601 4.6 15.6 1.0 C4' B:ATP601 4.8 16.5 1.0 CD B:GLU304 4.8 14.4 1.0 CB B:THR163 4.9 15.3 1.0 CG2 B:THR163 4.9 15.2 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Atp Bound Rpmatb-Bxbclm Chimera B1


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 Atp Bound Rpmatb-Bxbclm Chimera B1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg602 b:27.3 occ:1.00 O1G C:ATP601 1.9 30.5 1.0 O2B C:ATP601 2.0 27.1 1.0 O C:HOH965 2.0 26.9 1.0 O C:HOH734 2.2 19.4 1.0 O C:HOH970 2.2 25.9 1.0 O C:HOH936 2.4 24.6 1.0 PG C:ATP601 3.0 33.0 1.0 PB C:ATP601 3.1 30.5 1.0 O3B C:ATP601 3.4 27.7 1.0 O2G C:ATP601 3.5 34.6 1.0 O3A C:ATP601 3.6 35.1 1.0 NH2 C:ARG397 4.0 30.6 1.0 O3G C:ATP601 4.3 22.9 1.0 O C:HOH981 4.3 35.9 1.0 OE2 C:GLU304 4.4 29.1 1.0 O1A C:ATP601 4.4 30.5 1.0 O1B C:ATP601 4.4 26.6 1.0 OE1 C:GLU304 4.4 25.8 1.0 C5' C:ATP601 4.5 28.4 1.0 PA C:ATP601 4.5 28.8 1.0 CE C:MET302 4.5 31.8 1.0 O3' C:ATP601 4.5 27.5 1.0 O5' C:ATP601 4.6 30.2 1.0 CG2 C:THR163 4.7 27.9 1.0 CB C:THR163 4.8 27.9 1.0 C4' C:ATP601 4.8 30.1 1.0 O C:HOH1040 4.8 41.2 1.0 CD C:GLU304 4.8 27.4 1.0

H.A.Crosby, K.C.Rank, I.Rayment, J.C.Escalante-Semerena. Structural Insights Into the Substrate Specificity of the Rhodopseudomonas Palustris Protein Acetyltransferase Rppat: Identification of A Loop Critical For Recognition By Rppat. J.Biol.Chem. V. 287 41392 2012.
ISSN: ISSN 0021-9258
PubMed: 23076154
DOI: 10.1074/JBC.M112.417360