Zinc in PDB 5kef: Structure of Hypothetical Staphylococcus Protein SA0856 with Zinc

The structure of Structure of Hypothetical Staphylococcus Protein SA0856 with Zinc, PDB code: 5kef was solved by K.P.Battaile, Y.N.Chirgadze, R.Lam, T.Chan, V.Mihajlovic, V.Romanov, E.Pai, V.Mendez, N.Y.Chirgadze, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.13 / 2.23
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	91.867, 92.611, 95.259, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 23.4

The binding sites of Zinc atom in the Structure of Hypothetical Staphylococcus Protein SA0856 with Zinc (pdb code 5kef). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of Hypothetical Staphylococcus Protein SA0856 with Zinc, PDB code: 5kef:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structure of Hypothetical Staphylococcus Protein SA0856 with Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Hypothetical Staphylococcus Protein SA0856 with Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:1.0 occ:1.00 NE2 A:HIS58 2.6 71.3 1.0 CD2 A:HIS58 2.9 70.7 1.0 OE1 A:GLU60 3.3 85.8 1.0 CE1 A:HIS58 3.9 71.1 1.0 CD A:GLU60 4.1 89.9 1.0 CG A:HIS58 4.2 67.6 1.0 O A:HOH319 4.3 95.4 1.0 ND1 A:HIS58 4.7 71.1 1.0 CG A:GLU60 4.8 62.6 1.0 OE2 A:GLU60 4.9 85.8 1.0 CD A:LYS33 5.0 77.7 1.0

Zinc binding site 2 out of 4 in the Structure of Hypothetical Staphylococcus Protein SA0856 with Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Hypothetical Staphylococcus Protein SA0856 with Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn202 b:0.9 occ:1.00 NE2 A:HIS143 2.3 57.0 1.0 CE1 A:HIS143 3.1 56.8 1.0 CD2 A:HIS143 3.4 56.4 1.0 O A:GLY126 4.1 61.2 1.0 CG A:GLN145 4.2 83.2 1.0 ND1 A:HIS143 4.3 56.9 1.0 CG A:HIS143 4.4 53.4 1.0 O A:GLY144 4.6 53.4 1.0 CD A:GLN145 4.8 0.5 1.0 NE2 A:GLN145 4.9 0.9 1.0

Zinc binding site 3 out of 4 in the Structure of Hypothetical Staphylococcus Protein SA0856 with Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Hypothetical Staphylococcus Protein SA0856 with Zinc within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:98.0 occ:1.00 NE2 B:HIS58 2.5 70.8 1.0 OE1 B:GLU60 2.6 76.6 1.0 CD2 B:HIS58 3.1 70.5 1.0 CD B:GLU60 3.4 90.6 1.0 CE1 B:HIS58 3.8 70.5 1.0 OE2 B:GLU60 4.1 89.3 1.0 CG B:GLU60 4.2 65.9 1.0 CG B:HIS58 4.4 67.6 1.0 CD B:LYS33 4.6 78.8 1.0 ND1 B:HIS58 4.7 70.6 1.0 CB B:LYS33 4.9 62.6 1.0

Zinc binding site 4 out of 4 in the Structure of Hypothetical Staphylococcus Protein SA0856 with Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of Hypothetical Staphylococcus Protein SA0856 with Zinc within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn202 b:0.1 occ:1.00 NE2 B:HIS143 2.5 61.6 1.0 O B:ACT203 3.0 85.3 1.0 CD2 B:HIS143 3.4 61.1 1.0 CE1 B:HIS143 3.5 61.1 1.0 C B:ACT203 4.0 87.1 1.0 O B:GLY144 4.3 58.1 1.0 O B:GLY126 4.3 54.8 1.0 CG B:GLN145 4.5 70.5 1.0 OXT B:ACT203 4.5 87.0 1.0 CG B:HIS143 4.6 57.9 1.0 ND1 B:HIS143 4.7 61.0 1.0

Y.N.Chirgadze, E.A.Boshkova, K.P.Battaile, V.G.Mendes, R.Lam, T.S.Y.Chan, V.Romanov, E.F.Pai, N.Y.Chirgadze. Crystal Structure of Staphylococcus Aureus Zn-Glyoxalase I: New Subfamily of Glyoxalase I Family. J. Biomol. Struct. Dyn. V. 36 376 2018.
ISSN: ESSN 1538-0254
PubMed: 28034013
DOI: 10.1080/07391102.2016.1278038