Magnesium in PDB 1bho: Mac-1 I Domain Magnesium Complex

The structure of Mac-1 I Domain Magnesium Complex, PDB code: 1bho was solved by E.T.Baldwin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	48.590, 123.270, 75.650, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Magnesium atom in the Mac-1 I Domain Magnesium Complex (pdb code 1bho). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Mac-1 I Domain Magnesium Complex, PDB code: 1bho:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Mac-1 I Domain Magnesium Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mac-1 I Domain Magnesium Complex within 5.0Å range: probe atom residue distance (Å) B Occ 1:Mg901 b:5.4 occ:1.00 O 1:HOH24 1.9 20.6 1.0 OG 1:SER144 2.0 5.2 1.0 OG 1:SER142 2.0 3.9 1.0 O 1:HOH907 2.0 5.0 1.0 OD1 1:ASP242 2.1 7.0 1.0 CG 1:ASP242 2.9 8.7 1.0 OD2 1:ASP242 3.1 9.8 1.0 CB 1:SER142 3.3 3.1 1.0 CB 1:SER144 3.3 2.6 1.0 OD2 1:ASP140 4.0 4.0 1.0 N 1:SER144 4.1 2.0 1.0 OD1 1:ASP140 4.1 3.1 1.0 O 1:ASP242 4.1 7.5 1.0 CA 1:SER144 4.1 2.0 1.0 OG1 1:THR209 4.1 9.3 1.0 C 1:ASP242 4.2 7.5 1.0 O 1:HOH803 4.2 14.5 1.0 CB 1:ASP242 4.2 7.6 1.0 CG1 1:ILE145 4.3 2.0 1.0 CA 1:SER142 4.4 3.1 1.0 N 1:GLY243 4.5 8.2 1.0 CG 1:ASP140 4.5 3.6 1.0 C 1:SER142 4.6 2.8 1.0 C 1:SER144 4.6 2.0 1.0 CA 1:ASP242 4.6 7.0 1.0 N 1:ILE145 4.6 2.0 1.0 O 1:SER142 4.7 2.0 1.0 CD1 1:ILE145 4.8 2.0 1.0 CA 1:GLY243 4.8 8.8 1.0 N 1:ASP242 4.8 6.3 1.0 O 1:HOH801 5.0 13.4 1.0 N 1:GLY143 5.0 2.9 1.0

Magnesium binding site 2 out of 2 in the Mac-1 I Domain Magnesium Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Mac-1 I Domain Magnesium Complex within 5.0Å range: probe atom residue distance (Å) B Occ 2:Mg702 b:20.6 occ:1.00 O 2:HOH18 1.4 18.5 1.0 OG 2:SER444 1.7 21.4 1.0 OD1 2:ASP542 1.8 20.9 1.0 OG 2:SER442 2.2 20.3 1.0 CG 2:ASP542 2.5 20.1 1.0 OD2 2:ASP542 2.6 20.6 1.0 CB 2:SER444 3.1 21.4 1.0 CB 2:SER442 3.4 20.0 1.0 CB 2:ASP542 3.9 18.7 1.0 OD2 2:ASP440 3.9 16.7 1.0 CA 2:SER444 4.2 20.3 1.0 C 2:ASP542 4.2 18.5 1.0 N 2:GLY543 4.2 18.4 1.0 CG1 2:ILE445 4.4 16.1 1.0 CA 2:ASP542 4.4 18.1 1.0 O 2:ASP542 4.5 18.6 1.0 N 2:SER444 4.5 20.2 1.0 OD1 2:ASP440 4.5 15.9 1.0 OG1 2:THR509 4.6 19.6 1.0 C 2:SER444 4.6 20.2 1.0 CG 2:ASP440 4.6 15.6 1.0 O 2:SER442 4.6 20.1 1.0 CA 2:SER442 4.6 18.9 1.0 CD1 2:ILE445 4.7 13.9 1.0 CA 2:GLY543 4.7 18.2 1.0 N 2:ASP542 4.7 16.6 1.0 C 2:SER442 4.8 20.0 1.0 O 2:HOH19 4.8 29.6 1.0 N 2:ILE445 4.8 19.9 1.0 O 2:HOH37 4.8 22.8 1.0

E.T.Baldwin, R.W.Sarver, G.L.Bryant Jr., K.A.Curry, M.B.Fairbanks, B.C.Finzel, R.L.Garlick, R.L.Heinrikson, N.C.Horton, L.L.Kelley, A.M.Mildner, J.B.Moon, J.E.Mott, V.T.Mutchler, C.S.Tomich, K.D.Watenpaugh, V.H.Wiley. Cation Binding to the Integrin CD11B I Domain and Activation Model Assessment Structure V. 6 923 1998.
ISSN: ISSN 0969-2126
PubMed: 9687375
DOI: 10.1016/S0969-2126(98)00093-8