Magnesium in PDB 3tiq: Crystal Structure of Staphylococcus Aureus Sasg G51-E-G52 Module

The structure of Crystal Structure of Staphylococcus Aureus Sasg G51-E-G52 Module, PDB code: 3tiq was solved by D.T.Gruszka, J.A.Wojdyla, J.P.Turkenburg, J.R.Potts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.30 / 1.87
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.486, 84.771, 71.689, 90.00, 100.39, 90.00
R / Rfree (%)	20.5 / 26.6

The binding sites of Magnesium atom in the Crystal Structure of Staphylococcus Aureus Sasg G51-E-G52 Module (pdb code 3tiq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Crystal Structure of Staphylococcus Aureus Sasg G51-E-G52 Module, PDB code: 3tiq:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Crystal Structure of Staphylococcus Aureus Sasg G51-E-G52 Module


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 Staphylococcus Aureus Sasg G51-E-G52 Module within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg4 b:40.7 occ:1.00 O A:HOH653 2.8 55.6 1.0 N A:LYS551 3.2 34.0 1.0 CG A:LYS551 3.5 50.0 1.0 CA A:VAL550 3.7 26.5 1.0 CG2 A:THR516 3.7 38.2 1.0 CB A:VAL550 3.7 33.3 1.0 CA A:GLY517 3.8 35.6 1.0 C A:VAL550 3.9 30.6 1.0 CE A:LYS551 4.0 65.8 1.0 N A:GLY517 4.0 29.1 1.0 CB A:LYS551 4.0 36.3 1.0 CG1 A:VAL550 4.1 34.9 1.0 NZ A:LYS551 4.1 65.7 1.0 CA A:LYS551 4.2 30.9 1.0 CD A:LYS551 4.3 60.4 1.0 O A:HOH703 4.4 42.9 1.0 O A:HOH686 4.5 46.6 1.0 O A:HOH708 4.6 43.4 1.0 C A:THR516 4.6 28.8 1.0

Magnesium binding site 2 out of 5 in the Crystal Structure of Staphylococcus Aureus Sasg G51-E-G52 Module


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 Staphylococcus Aureus Sasg G51-E-G52 Module within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1 b:22.9 occ:1.00 O B:HOH727 3.1 23.4 1.0 O B:HOH388 3.1 34.4 1.0 O B:HOH11 3.1 37.2 1.0 ND2 B:ASN470 3.2 20.3 1.0 CG B:PRO420 3.7 56.0 1.0 CB B:ASN470 3.8 18.5 1.0 CG2 B:VAL475 4.0 23.4 1.0 CG B:ASN470 4.0 22.0 1.0 CG1 B:ILE477 4.0 21.9 1.0 CB B:PRO420 4.1 62.4 1.0 CD1 B:ILE477 4.2 29.4 1.0 O B:HOH728 4.3 29.1 1.0 CD B:PRO420 4.7 50.2 1.0 O B:HOH10 4.9 31.2 1.0 OG1 B:THR473 4.9 21.1 1.0

Magnesium binding site 3 out of 5 in the Crystal Structure of Staphylococcus Aureus Sasg G51-E-G52 Module


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 Staphylococcus Aureus Sasg G51-E-G52 Module within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2 b:25.1 occ:1.00 O B:HOH24 2.9 32.2 1.0 O B:HOH328 3.1 45.1 1.0 NZ B:LYS469 3.4 32.0 1.0 CE B:LYS469 3.6 32.7 1.0 CA B:PRO471 3.7 25.6 1.0 CA B:GLY474 3.9 24.8 1.0 CD1 B:ILE423 4.1 35.6 1.0 CD B:LYS469 4.2 25.1 1.0 O B:ASN470 4.2 26.0 1.0 OE1 B:GLU425 4.3 37.8 1.0 O B:HOH712 4.4 56.3 1.0 O B:PRO471 4.4 24.1 1.0 CB B:LYS469 4.4 20.2 1.0 CB B:PRO471 4.4 24.6 1.0 C B:PRO471 4.5 24.7 1.0 N B:PRO471 4.5 24.4 1.0 C B:GLY474 4.6 24.1 1.0 C B:ASN470 4.6 19.0 1.0 O B:HOH248 4.6 46.9 1.0 O B:GLY474 4.7 27.1 1.0 N B:GLY474 4.8 24.1 1.0 CG1 B:ILE423 4.9 36.8 1.0 CG B:LYS469 4.9 23.4 1.0

Magnesium binding site 4 out of 5 in the Crystal Structure of Staphylococcus Aureus Sasg G51-E-G52 Module


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Staphylococcus Aureus Sasg G51-E-G52 Module within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg3 b:38.5 occ:1.00 O B:HOH15 2.8 36.6 1.0 O B:LYS421 2.8 39.9 1.0 OD1 B:ASN470 2.9 19.9 1.0 CG B:ASN470 3.5 22.0 1.0 C B:LYS421 3.6 46.0 1.0 N B:LYS421 3.7 45.7 1.0 CB B:LYS421 3.8 42.7 1.0 CD B:PRO471 3.8 21.4 1.0 ND2 B:ASN470 3.9 20.3 1.0 CA B:LYS421 3.9 43.2 1.0 CB B:LEU472 4.1 21.9 1.0 CG B:PRO471 4.2 25.5 1.0 N B:LEU472 4.3 23.2 1.0 O B:HOH649 4.3 40.3 1.0 CB B:PRO420 4.4 62.4 1.0 N B:PRO471 4.4 24.4 1.0 O B:HOH729 4.5 28.7 1.0 C B:PRO420 4.6 59.7 1.0 CA B:ASN470 4.6 16.7 1.0 CB B:ASN470 4.6 18.5 1.0 N B:THR422 4.7 40.5 1.0 C B:ASN470 4.7 19.0 1.0 CA B:PRO420 4.8 59.2 1.0 CG B:LYS421 4.8 55.2 1.0 CA B:LEU472 4.9 19.5 1.0 CD2 B:LEU472 5.0 27.3 1.0

Magnesium binding site 5 out of 5 in the Crystal Structure of Staphylococcus Aureus Sasg G51-E-G52 Module


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Staphylococcus Aureus Sasg G51-E-G52 Module within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg5 b:42.5 occ:1.00 O B:HOH694 2.8 46.4 1.0 N B:LYS551 3.2 50.3 1.0 CA B:GLY517 3.7 49.5 1.0 CA B:VAL550 3.7 41.5 1.0 CB B:VAL550 3.7 40.6 1.0 CG2 B:THR516 3.7 46.9 1.0 CB B:LYS551 3.9 52.2 1.0 CG B:LYS551 4.0 59.9 1.0 N B:GLY517 4.0 53.4 1.0 C B:VAL550 4.0 56.5 1.0 CA B:LYS551 4.2 51.4 1.0 CG1 B:VAL550 4.3 40.8 1.0 CD B:LYS551 4.4 74.9 1.0 C B:THR516 4.7 58.9 1.0 O B:HOH168 4.7 46.6 1.0 O B:PRO549 4.8 45.0 1.0 O B:LYS551 4.9 51.5 1.0 N B:VAL550 5.0 41.0 1.0

D.T.Gruszka, J.A.Wojdyla, R.J.Bingham, J.P.Turkenburg, I.W.Manfield, A.Steward, A.P.Leech, J.A.Geoghegan, T.J.Foster, J.Clarke, J.R.Potts. Staphylococcal Biofilm-Forming Protein Has A Contiguous Rod-Like Structure. Proc.Natl.Acad.Sci.Usa V. 109 E1011 2012.
ISSN: ISSN 0027-8424
PubMed: 22493247
DOI: 10.1073/PNAS.1119456109