Magnesium in PDB 1f51: A Transient Interaction Between Two Phosphorelay Proteins Trapped in A Crystal Lattice Reveals the Mechanism of Molecular Recognition and Phosphotransfer in Singal Transduction

The structure of A Transient Interaction Between Two Phosphorelay Proteins Trapped in A Crystal Lattice Reveals the Mechanism of Molecular Recognition and Phosphotransfer in Singal Transduction, PDB code: 1f51 was solved by J.Zapf, U.Sen, M.Madhusudan, J.A.Hoch, K.I.Varughese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.974, 117.774, 170.736, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 26.8

The binding sites of Magnesium atom in the A Transient Interaction Between Two Phosphorelay Proteins Trapped in A Crystal Lattice Reveals the Mechanism of Molecular Recognition and Phosphotransfer in Singal Transduction (pdb code 1f51). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the A Transient Interaction Between Two Phosphorelay Proteins Trapped in A Crystal Lattice Reveals the Mechanism of Molecular Recognition and Phosphotransfer in Singal Transduction, PDB code: 1f51:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the A Transient Interaction Between Two Phosphorelay Proteins Trapped in A Crystal Lattice Reveals the Mechanism of Molecular Recognition and Phosphotransfer in Singal Transduction


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Transient Interaction Between Two Phosphorelay Proteins Trapped in A Crystal Lattice Reveals the Mechanism of Molecular Recognition and Phosphotransfer in Singal Transduction within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg2001 b:71.6 occ:1.00 OD2 E:ASP1254 2.4 50.6 1.0 OD1 E:ASP1211 2.4 50.7 1.0 O E:LYS1256 3.1 59.2 1.0 CG E:ASP1211 3.3 51.1 1.0 NE2 E:GLN1212 3.5 66.0 1.0 CG E:ASP1254 3.5 47.5 1.0 OD1 E:ASP1210 3.8 48.6 1.0 OD2 E:ASP1211 3.9 49.9 1.0 C E:LYS1256 4.0 56.9 1.0 OD1 E:ASP1254 4.1 47.3 1.0 CG1 E:ILE1257 4.1 59.3 1.0 NZ E:LYS1304 4.3 26.0 1.0 CB E:ASP1211 4.3 52.7 1.0 N E:ASP1211 4.4 47.6 1.0 CA E:ILE1257 4.4 57.7 1.0 CG E:ASP1210 4.4 49.1 1.0 ND2 A:ASN34 4.5 33.5 1.0 CD E:GLN1212 4.5 60.5 1.0 N E:ILE1257 4.6 56.6 1.0 OD2 E:ASP1210 4.6 50.2 1.0 CB E:ASP1254 4.6 43.5 1.0 CA E:ASP1211 4.9 50.1 1.0 NE2 A:HIS30 4.9 60.2 1.0 OE1 E:GLN1212 4.9 65.0 1.0 CD E:PRO1258 4.9 60.9 1.0 CB E:ILE1257 5.0 58.6 1.0

Magnesium binding site 2 out of 3 in the A Transient Interaction Between Two Phosphorelay Proteins Trapped in A Crystal Lattice Reveals the Mechanism of Molecular Recognition and Phosphotransfer in Singal Transduction


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of A Transient Interaction Between Two Phosphorelay Proteins Trapped in A Crystal Lattice Reveals the Mechanism of Molecular Recognition and Phosphotransfer in Singal Transduction within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg2002 b:69.2 occ:1.00 OD2 F:ASP1054 2.5 38.7 1.0 OD1 F:ASP1011 2.8 50.3 1.0 CG F:ASP1054 3.5 33.7 1.0 NZ F:LYS1104 3.7 30.0 1.0 OD1 F:ASP1054 3.8 37.7 1.0 O F:LYS1056 3.8 45.2 1.0 OD1 B:ASN234 3.8 22.1 1.0 OD1 F:ASP1010 4.1 47.4 1.0 CG F:ASP1011 4.1 46.4 1.0 C F:LYS1056 4.3 44.8 1.0 ND2 B:ASN234 4.3 29.1 1.0 NE2 F:GLN1012 4.3 68.8 1.0 CG B:ASN234 4.4 28.1 1.0 NE2 B:HIS230 4.4 38.0 1.0 CB F:LYS1056 4.4 47.1 1.0 OD2 F:ASP1010 4.5 40.2 1.0 CG F:ASP1010 4.5 38.5 1.0 N F:ASP1011 4.8 34.1 1.0 CB F:ASP1054 4.8 23.2 1.0 OD2 F:ASP1011 4.9 44.8 1.0 CA F:LYS1056 4.9 43.8 1.0 N F:ILE1057 4.9 47.1 1.0 CB F:ASP1011 5.0 41.9 1.0

Magnesium binding site 3 out of 3 in the A Transient Interaction Between Two Phosphorelay Proteins Trapped in A Crystal Lattice Reveals the Mechanism of Molecular Recognition and Phosphotransfer in Singal Transduction


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of A Transient Interaction Between Two Phosphorelay Proteins Trapped in A Crystal Lattice Reveals the Mechanism of Molecular Recognition and Phosphotransfer in Singal Transduction within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg2003 b:69.2 occ:1.00 OD2 H:ASP1454 2.6 55.6 1.0 OD1 H:ASP1411 2.8 58.5 1.0 O H:LYS1456 3.0 71.7 1.0 CG H:ASP1454 3.3 57.8 1.0 OD1 H:ASP1454 3.4 62.6 1.0 NE2 D:HIS630 3.7 65.1 1.0 ND2 D:ASN634 3.8 46.0 1.0 OD1 H:ASP1410 3.9 62.7 1.0 CG H:ASP1411 4.0 55.9 1.0 NZ H:LYS1504 4.1 54.2 1.0 OD2 H:ASP1410 4.1 63.8 1.0 C H:LYS1456 4.2 71.6 1.0 CG H:ASP1410 4.3 61.1 1.0 CD2 D:HIS630 4.5 65.2 1.0 CG1 H:ILE1457 4.6 70.0 1.0 OD2 H:ASP1411 4.6 57.3 1.0 CE1 D:HIS630 4.7 66.8 1.0 CB H:ASP1454 4.7 54.2 1.0 CG D:ASN634 4.7 44.4 1.0 CE H:LYS1504 4.8 57.3 1.0 N H:ASP1411 4.8 50.8 1.0 OD1 D:ASN634 4.9 47.1 1.0 CB H:LYS1456 5.0 70.7 1.0 CG H:GLN1412 5.0 62.0 1.0 CA H:ILE1457 5.0 76.9 1.0

J.Zapf, U.Sen, M.Madhusudan, J.A.Hoch, K.I.Varughese. A Transient Interaction Between Two Phosphorelay Proteins Trapped in A Crystal Lattice Reveals the Mechanism of Molecular Recognition and Phosphotransfer in Signal Transduction. Structure Fold.Des. V. 8 851 2000.
ISSN: ISSN 0969-2126
PubMed: 10997904
DOI: 10.1016/S0969-2126(00)00174-X