Zinc in PDB 6gs2: Crystal Structure of the Gatd/Murt Enzyme Complex From Staphylococcus Aureus

The structure of Crystal Structure of the Gatd/Murt Enzyme Complex From Staphylococcus Aureus, PDB code: 6gs2 was solved by L.M.Muckenfuss, E.R.Noeldeke, V.Niemann, G.Zocher, T.Stehle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.06 / 2.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	107.100, 110.370, 116.360, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 21.6

The structure of Crystal Structure of the Gatd/Murt Enzyme Complex From Staphylococcus Aureus also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Zinc atom in the Crystal Structure of the Gatd/Murt Enzyme Complex From Staphylococcus Aureus (pdb code 6gs2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Gatd/Murt Enzyme Complex From Staphylococcus Aureus, PDB code: 6gs2:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Gatd/Murt Enzyme Complex From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Gatd/Murt Enzyme Complex From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:40.0 occ:1.00 SG B:CYS202 2.2 37.1 1.0 SG B:CYS224 2.3 36.5 1.0 SG B:CYS226 2.3 38.1 1.0 SG B:CYS205 2.3 41.0 1.0 CB B:CYS224 3.1 34.9 1.0 CB B:CYS202 3.1 31.1 1.0 CB B:CYS226 3.3 40.3 1.0 CB B:CYS205 3.3 39.1 1.0 N B:CYS205 3.8 38.5 1.0 CA B:CYS205 4.1 43.8 1.0 N B:CYS226 4.2 43.8 1.0 CA B:CYS226 4.3 42.8 1.0 CB B:PHE228 4.5 32.4 1.0 CB B:ASN204 4.5 50.0 1.0 NE B:ARG207 4.5 68.5 1.0 CA B:CYS224 4.6 35.4 1.0 C B:ASN204 4.6 46.9 1.0 CA B:CYS202 4.6 35.0 1.0 ND2 B:ASN204 4.7 51.8 1.0 NH2 B:ARG207 4.7 68.8 1.0 C B:CYS205 4.8 43.0 1.0 N B:ASN204 4.9 51.9 1.0 CA B:ASN204 4.9 43.5 1.0 C B:CYS224 4.9 36.9 1.0 CB B:ARG207 4.9 43.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Gatd/Murt Enzyme Complex From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Gatd/Murt Enzyme Complex From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn501 b:44.8 occ:1.00 SG D:CYS205 2.1 50.5 1.0 SG D:CYS224 2.3 44.4 1.0 SG D:CYS202 2.4 46.3 1.0 SG D:CYS226 2.5 46.4 1.0 CB D:CYS226 3.1 44.7 1.0 CB D:CYS224 3.1 42.1 1.0 CB D:CYS202 3.1 45.6 1.0 CB D:CYS205 3.3 50.6 1.0 N D:CYS205 3.7 53.7 1.0 CA D:CYS205 4.0 50.4 1.0 N D:CYS226 4.2 52.8 1.0 CA D:CYS226 4.3 49.1 1.0 CB D:PHE228 4.5 36.1 1.0 CB D:ASN204 4.6 60.9 1.0 CA D:CYS224 4.6 44.0 1.0 CA D:CYS202 4.6 42.5 1.0 C D:CYS205 4.7 49.6 1.0 C D:ASN204 4.7 52.1 1.0 N D:GLY206 4.7 53.5 1.0 NH2 D:ARG207 4.9 84.3 1.0 N D:ARG207 4.9 64.1 1.0 CB D:ARG207 4.9 54.3 1.0 N D:ASN204 4.9 56.9 1.0 CD D:ARG207 5.0 68.6 1.0 C D:CYS224 5.0 46.0 1.0 C D:CYS226 5.0 52.4 1.0 CA D:ASN204 5.0 52.1 1.0 CG D:ARG207 5.0 49.1 1.0

E.R.Noldeke, L.M.Muckenfuss, V.Niemann, A.Muller, E.Stork, G.Zocher, T.Schneider, T.Stehle. Structural Basis of Cell Wall Peptidoglycan Amidation By the Gatd/Murt Complex of Staphylococcus Aureus. Sci Rep V. 8 12953 2018.
ISSN: ESSN 2045-2322
PubMed: 30154570
DOI: 10.1038/S41598-018-31098-X