Magnesium in PDB 2ftk: Berylloflouride SPO0F Complex with SPO0B

The structure of Berylloflouride SPO0F Complex with SPO0B, PDB code: 2ftk was solved by K.I.Varughese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.86 / 3.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.467, 118.331, 168.235, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 28.2

The structure of Berylloflouride SPO0F Complex with SPO0B also contains other interesting chemical elements:

Fluorine

(F)

12 atoms

The binding sites of Magnesium atom in the Berylloflouride SPO0F Complex with SPO0B (pdb code 2ftk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Berylloflouride SPO0F Complex with SPO0B, PDB code: 2ftk:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Berylloflouride SPO0F Complex with SPO0B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Berylloflouride SPO0F Complex with SPO0B within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg2001 b:37.2 occ:1.00 OD1 E:ASP1211 2.2 62.6 1.0 OD2 E:BFD1254 2.3 62.7 1.0 F1 E:BFD1254 2.4 60.0 0.8 O E:LYS1256 2.6 70.6 1.0 CG E:ASP1211 3.0 61.6 1.0 OD2 E:ASP1211 3.1 63.1 1.0 CG E:BFD1254 3.1 62.6 1.0 OD1 E:ASP1210 3.2 55.8 1.0 BE E:BFD1254 3.4 61.3 0.8 OD1 E:BFD1254 3.4 62.1 1.0 C E:LYS1256 3.8 71.2 1.0 ND2 A:ASN34 4.0 45.4 1.0 F2 E:BFD1254 4.0 61.4 0.8 NZ E:LYS1304 4.2 49.3 1.0 CG E:ASP1210 4.2 58.2 1.0 N E:ASP1211 4.3 60.5 1.0 CB E:BFD1254 4.4 63.4 1.0 N E:GLN1212 4.4 59.8 1.0 CB E:ASP1211 4.4 60.6 1.0 CB E:LYS1256 4.5 74.2 1.0 CA E:LYS1256 4.5 71.7 1.0 NE2 A:HIS30 4.6 47.7 1.0 CB E:GLN1212 4.6 61.8 1.0 F3 E:BFD1254 4.7 62.6 0.8 OD2 E:ASP1210 4.7 59.5 1.0 N E:ILE1257 4.7 71.4 1.0 N E:LYS1256 4.8 70.4 1.0 CA E:ASP1211 4.9 59.9 1.0 CA E:ILE1257 4.9 71.9 1.0 CG A:ASN34 4.9 45.3 1.0

Magnesium binding site 2 out of 4 in the Berylloflouride SPO0F Complex with SPO0B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Berylloflouride SPO0F Complex with SPO0B within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg2002 b:37.2 occ:1.00 OD2 F:BFD1054 2.3 40.5 1.0 F1 F:BFD1054 2.4 42.8 0.8 OD1 F:ASP1011 2.4 54.6 1.0 O F:LYS1056 2.7 46.5 1.0 CG F:ASP1011 3.1 54.4 1.0 OD2 F:ASP1011 3.1 53.3 1.0 CG F:BFD1054 3.2 41.7 1.0 OD1 F:ASP1010 3.3 51.1 1.0 BE F:BFD1054 3.3 42.2 0.8 OD1 F:BFD1054 3.4 43.4 1.0 C F:LYS1056 3.8 47.1 1.0 OD1 B:ASN234 3.9 43.3 1.0 F2 F:BFD1054 3.9 42.6 0.8 NZ F:LYS1104 4.2 37.7 1.0 CG F:ASP1010 4.3 50.9 1.0 CE1 B:HIS230 4.4 44.0 1.0 CB F:LYS1056 4.4 47.2 1.0 N F:GLN1012 4.5 54.5 1.0 N F:ASP1011 4.5 52.4 1.0 CB F:BFD1054 4.5 40.4 1.0 CB F:ASP1011 4.5 53.1 1.0 CA F:LYS1056 4.6 46.7 1.0 F3 F:BFD1054 4.6 41.0 0.8 CB F:GLN1012 4.7 59.1 1.0 OD2 F:ASP1010 4.7 50.5 1.0 CG B:ASN234 4.7 43.0 1.0 N F:ILE1057 4.9 48.8 1.0 N F:LYS1056 4.9 45.7 1.0

Magnesium binding site 3 out of 4 in the Berylloflouride SPO0F Complex with SPO0B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Berylloflouride SPO0F Complex with SPO0B within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg2003 b:37.2 occ:1.00 OD1 H:ASP1411 2.3 69.8 1.0 F1 H:BFD1454 2.4 67.9 0.5 OD2 H:BFD1454 2.5 68.2 1.0 O H:LYS1456 2.6 84.0 1.0 CG H:ASP1411 3.1 68.6 1.0 OD2 H:ASP1411 3.1 69.3 1.0 CG H:BFD1454 3.2 69.2 1.0 OD1 H:ASP1410 3.3 68.2 1.0 BE H:BFD1454 3.4 68.0 0.5 OD1 H:BFD1454 3.4 69.6 1.0 C H:LYS1456 3.8 84.3 1.0 F2 H:BFD1454 4.0 66.6 0.5 NZ H:LYS1504 4.2 81.2 1.0 CE1 D:HIS630 4.3 76.4 1.0 CG H:ASP1410 4.4 67.4 1.0 CB H:LYS1456 4.4 84.6 1.0 ND2 D:ASN634 4.5 60.6 1.0 CB H:ASP1411 4.5 66.4 1.0 N H:GLN1412 4.5 65.5 1.0 N H:ASP1411 4.5 64.0 1.0 CB H:BFD1454 4.6 69.4 1.0 CA H:LYS1456 4.6 83.4 1.0 CB H:GLN1412 4.6 67.6 1.0 F3 H:BFD1454 4.7 67.5 0.5 OD1 D:ASN634 4.7 59.6 1.0 N H:ILE1457 4.8 85.6 1.0 N H:LYS1456 4.8 81.1 1.0 OD2 H:ASP1410 4.9 68.2 1.0 CG D:ASN634 4.9 59.8 1.0 CA H:ILE1457 5.0 86.9 1.0

Magnesium binding site 4 out of 4 in the Berylloflouride SPO0F Complex with SPO0B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Berylloflouride SPO0F Complex with SPO0B within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg2004 b:37.2 occ:1.00 OD2 G:ASP1611 2.4 88.4 0.9 F1 G:BFD1654 2.7 86.2 0.5 OD2 G:BFD1654 2.7 88.1 1.0 OD1 G:BFD1654 2.8 88.0 1.0 OD1 G:ASP1611 2.9 90.2 0.9 CG G:ASP1611 2.9 88.7 0.9 CG G:BFD1654 2.9 88.2 1.0 OE1 G:GLN1612 2.9 86.0 0.9 O G:LYS1656 3.2 98.7 0.9 BE G:BFD1654 3.3 87.5 0.5 OD2 G:ASP1610 3.5 86.3 0.9 CD G:GLN1612 3.5 86.0 0.9 OD1 G:ASP1610 3.6 86.1 0.9 CG G:GLN1612 3.7 84.9 0.9 CG G:ASP1610 3.8 86.0 0.9 CB G:BFD1654 4.1 88.2 1.0 N G:ASP1611 4.1 84.2 0.9 NZ G:LYS1704 4.1 92.2 0.9 CB G:ASP1611 4.2 86.9 0.9 F2 G:BFD1654 4.3 87.4 0.5 C G:LYS1656 4.3 98.8 0.9 F3 G:BFD1654 4.4 86.8 0.5 N G:GLN1612 4.5 83.5 0.9 NE2 G:GLN1612 4.6 86.3 0.9 CA G:ASP1611 4.7 85.1 0.9 OD1 C:ASN434 4.7 73.5 1.0 CG1 G:ILE1657 4.8 0.6 0.9 ND2 C:ASN434 4.9 72.6 1.0

K.I.Varughese, I.Tsigelny, H.Zhao. The Crystal Structure of Beryllofluoride SPO0F in Complex with the Phosphotransferase SPO0B Represents A Phosphotransfer Pretransition State. J.Bacteriol. V. 188 4970 2006.
ISSN: ISSN 0021-9193
PubMed: 16788205
DOI: 10.1128/JB.00160-06