Magnesium in PDB 1n67: Clumping Factor A From Staphylococcus Aureus

The structure of Clumping Factor A From Staphylococcus Aureus, PDB code: 1n67 was solved by C.C.S.Deivanayagam, E.R.Wann, W.Chen, M.Carson, K.R.Rajashankar, M.Hook, S.V.L.Narayana, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.28 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.700, 80.540, 113.890, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 25.6

The binding sites of Magnesium atom in the Clumping Factor A From Staphylococcus Aureus (pdb code 1n67). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Clumping Factor A From Staphylococcus Aureus, PDB code: 1n67:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Clumping Factor A From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Clumping Factor A From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg900 b:29.1 occ:1.00 O A:HOH930 2.1 30.7 1.0 O A:VAL323 2.4 27.0 1.0 O A:ASN267 2.4 23.6 1.0 O A:ALA269 2.4 24.5 1.0 O A:HOH1022 2.6 24.8 1.0 O A:HOH925 2.7 22.0 1.0 C A:ASN267 3.2 23.7 1.0 C A:VAL323 3.5 25.5 1.0 C A:ALA269 3.5 23.9 1.0 N A:ALA269 3.8 22.4 1.0 CA A:ASN267 3.9 22.7 1.0 CA A:ALA269 4.1 23.6 1.0 C A:SER268 4.1 22.7 1.0 CB A:VAL323 4.2 24.7 1.0 O A:HOH1131 4.2 43.4 1.0 N A:SER268 4.2 23.4 1.0 CA A:VAL323 4.3 24.5 1.0 O A:PRO266 4.4 20.1 1.0 N A:ASN324 4.4 26.2 1.0 O A:HOH969 4.4 20.6 1.0 CB A:ALA269 4.5 23.7 1.0 O A:LYS326 4.5 30.1 1.0 CA A:SER268 4.6 22.7 1.0 CA A:ASN324 4.6 27.3 1.0 N A:VAL270 4.7 24.1 1.0 O A:SER268 4.7 21.8 1.0 CG2 A:VAL323 4.7 23.2 1.0 CB A:ASN267 4.7 23.9 1.0 OD1 A:ASP327 4.7 28.4 1.0 C A:ASN324 4.9 28.5 1.0 CA A:VAL270 5.0 24.5 1.0 O A:HOH1039 5.0 33.5 1.0

Magnesium binding site 2 out of 3 in the Clumping Factor A From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Clumping Factor A From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg901 b:32.0 occ:1.00 O A:HOH1159 2.3 31.4 1.0 O A:LEU444 2.3 20.0 1.0 O A:HOH1017 2.4 27.3 1.0 O A:ALA441 2.4 22.6 1.0 O A:HOH1113 2.4 26.5 1.0 O A:HOH1157 3.1 37.3 1.0 C A:ALA441 3.4 22.2 1.0 C A:LEU444 3.4 19.3 1.0 CB A:LEU444 3.9 20.1 1.0 N A:LEU444 3.9 19.9 1.0 CA A:LEU444 4.0 19.8 1.0 CA A:ALA442 4.0 23.4 1.0 N A:ALA442 4.1 23.0 1.0 C A:ALA442 4.2 23.0 1.0 O A:HOH1082 4.2 41.4 1.0 O A:ALA442 4.4 24.9 1.0 CA A:ALA441 4.4 22.1 1.0 N A:SER445 4.6 20.1 1.0 CB A:ALA441 4.6 22.8 1.0 CG A:LEU444 4.7 20.4 1.0 N A:ASP443 4.7 20.9 1.0 O A:HOH1241 4.7 37.9 1.0 O A:PRO402 4.8 23.9 1.0 O A:HOH1218 4.8 39.6 1.0 O A:HOH984 4.8 28.2 1.0 CA A:SER445 4.9 20.1 1.0

Magnesium binding site 3 out of 3 in the Clumping Factor A From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Clumping Factor A From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:36.4 occ:1.00 O A:HOH1151 2.1 36.6 1.0 OD2 A:ASP340 2.4 26.9 1.0 O A:LYS281 2.6 20.9 1.0 O A:HOH1101 2.6 42.1 1.0 O A:HOH915 3.0 26.1 1.0 O A:LEU283 3.1 22.1 1.0 ND2 A:ASN284 3.3 28.8 1.0 CG A:ASP340 3.4 22.6 1.0 C A:LYS281 3.5 22.4 1.0 CB A:ASP340 3.7 21.9 1.0 CA A:LYS281 3.8 22.9 1.0 O A:HOH1158 3.9 36.5 1.0 C A:LEU283 4.0 22.0 1.0 ND2 A:ASN343 4.0 23.4 1.0 O A:HOH1230 4.2 41.6 1.0 N A:LEU283 4.4 21.0 1.0 CG A:ASN284 4.4 27.1 1.0 CB A:LYS281 4.4 25.3 1.0 O A:HOH1258 4.5 42.9 1.0 OD1 A:ASP340 4.5 22.8 1.0 N A:GLU282 4.6 21.3 1.0 O A:HOH1030 4.6 33.7 1.0 O A:PRO280 4.7 23.4 1.0 N A:ASN284 4.8 22.3 1.0 CA A:LEU283 4.8 20.9 1.0 C A:GLU282 4.9 21.7 1.0 CA A:ASN284 4.9 23.0 1.0 O A:HOH1112 4.9 37.2 1.0

C.C.S.Deivanayagam, E.R.Wann, W.Chen, M.Carson, K.R.Rajashankar, M.Hook, S.V.L.Narayana. A Novel Variant of the Immunoglobulin Fold in Surface Adhesins of Staphylococcus Aureus: Crystal Structure of the Fibrinogen-Binding Mscramm, Clumping Factor A Embo J. V. 21 6660 2002.
ISSN: ISSN 0261-4189
PubMed: 12485987
DOI: 10.1093/EMBOJ/CDF619