Zinc in PDB 2as9: Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus

The structure of Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus, PDB code: 2as9 was solved by G.M.Popowicz, G.Dubin, J.Stec-Niemczyk, A.Czarny, A.Dubin, J.Potempa, T.A.Holak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.120, 81.400, 107.390, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 24.3

The binding sites of Zinc atom in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus (pdb code 2as9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus, PDB code: 2as9:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7;

Zinc binding site 1 out of 7 in the Functional and Structural Characterization of Spl Proteases 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 Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn333 b:29.9 occ:1.00 NE2 A:HIS207 2.0 32.3 1.0 NE2 A:HIS205 2.1 17.8 1.0 CE1 A:HIS207 3.0 32.5 1.0 CD2 A:HIS207 3.0 30.2 1.0 CD2 A:HIS205 3.1 18.6 1.0 CE1 A:HIS205 3.1 16.9 1.0 ND1 A:HIS207 4.1 32.1 1.0 CG A:HIS207 4.1 28.6 1.0 ND1 A:HIS205 4.2 18.1 1.0 CG A:HIS205 4.2 18.0 1.0 O A:HOH759 4.7 22.8 1.0

Zinc binding site 2 out of 7 in the Functional and Structural Characterization of Spl Proteases 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 Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn666 b:17.1 occ:1.00 NE2 A:HIS206 2.0 18.7 1.0 OE1 A:GLU86 2.0 16.5 1.0 NZ A:LYS32 2.1 15.7 1.0 O A:HOH911 2.2 18.1 1.0 O A:HOH676 2.7 22.3 1.0 CD A:GLU86 2.9 15.9 1.0 CE A:LYS32 3.0 14.5 1.0 CE1 A:HIS206 3.0 16.2 1.0 CD2 A:HIS206 3.0 18.6 1.0 OE2 A:GLU86 3.1 15.1 1.0 OD1 A:ASN99 4.0 17.1 1.0 ND1 A:HIS206 4.1 17.0 1.0 CG A:HIS206 4.2 18.2 1.0 OD1 A:ASN97 4.2 17.4 1.0 CG A:GLU86 4.3 15.9 1.0 CD A:LYS32 4.4 13.7 1.0 ND2 A:ASN97 4.7 13.3 1.0 CG A:LYS32 4.9 13.2 1.0 CG A:ASN97 4.9 15.3 1.0 CG A:ASN99 4.9 14.4 1.0

Zinc binding site 3 out of 7 in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn888 b:31.9 occ:1.00 O A:HOH928 2.0 31.6 1.0 OD1 A:ASP44 2.1 25.2 1.0 O A:HOH929 2.2 28.3 1.0 O A:HOH915 2.4 43.8 1.0 CG A:ASP44 3.0 26.3 1.0 OD2 A:ASP44 3.2 27.4 1.0 O A:HOH717 3.8 21.3 1.0 OD2 A:ASP24 4.3 24.0 1.0 CB A:ASP44 4.4 25.7 1.0 O A:HOH815 4.5 29.0 1.0 O A:HOH930 4.6 43.1 1.0 O A:HIS40 4.7 22.1 1.0 O A:HOH773 4.7 21.2 1.0

Zinc binding site 4 out of 7 in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1777 b:49.4 occ:1.00 O A:HOH898 2.2 40.9 1.0 O A:HOH730 4.4 19.5 1.0 OE2 A:GLU85 4.5 24.8 1.0 O A:HIS207 4.5 27.3 1.0 OE1 A:GLU85 4.9 27.2 1.0

Zinc binding site 5 out of 7 in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn222 b:13.8 occ:1.00 NE2 B:HIS205 2.0 15.5 1.0 OD2 A:ASP114 2.0 15.5 1.0 ND1 B:HIS201 2.0 14.6 1.0 O B:HOH667 2.4 3.3 1.0 CG A:ASP114 2.7 15.4 1.0 OD1 A:ASP114 2.7 18.4 1.0 CE1 B:HIS201 2.9 13.0 1.0 CE1 B:HIS205 3.0 16.3 1.0 CD2 B:HIS205 3.0 14.6 1.0 CG B:HIS201 3.1 14.2 1.0 CB B:HIS201 3.6 13.2 1.0 OG B:SER69 4.0 18.2 1.0 NE2 B:HIS201 4.1 14.9 1.0 ND1 B:HIS205 4.1 14.0 1.0 OG B:SER71 4.1 14.2 1.0 CG B:HIS205 4.1 13.5 1.0 CB A:ASP114 4.2 14.2 1.0 CD2 B:HIS201 4.2 14.8 1.0 CA B:HIS201 4.2 13.3 1.0 O B:HIS201 4.5 11.8 1.0 O A:HOH710 4.5 26.1 1.0 CG2 B:VAL81 4.6 15.5 1.0 CB B:ASN83 4.6 14.5 1.0 O B:HOH810 4.7 26.8 1.0 C B:HIS201 4.7 13.2 1.0 CB B:SER71 4.8 14.0 1.0 CG2 A:VAL113 5.0 14.7 1.0

Zinc binding site 6 out of 7 in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn444 b:18.6 occ:1.00 OE1 B:GLU86 1.8 19.9 1.0 NE2 B:HIS206 2.0 16.9 1.0 O B:HOH749 2.4 25.3 1.0 CD B:GLU86 2.7 20.5 1.0 OE2 B:GLU86 2.9 17.7 1.0 CE1 B:HIS206 3.0 18.4 1.0 CD2 B:HIS206 3.0 17.1 1.0 CG B:GLU86 4.1 18.7 1.0 ND1 B:HIS206 4.1 17.8 1.0 CG B:HIS206 4.2 16.1 1.0 ND2 B:ASN97 4.2 20.7 1.0 OD1 B:ASN99 4.3 15.1 1.0 O B:HOH785 5.0 20.9 1.0

Zinc binding site 7 out of 7 in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus within 5.0Å range:

G.M.Popowicz, G.Dubin, J.Stec-Niemczyk, A.Czarny, A.Dubin, J.Potempa, T.A.Holak. Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus J.Mol.Biol. V. 358 270 2006.
ISSN: ISSN 0022-2836
PubMed: 16516230
DOI: 10.1016/J.JMB.2006.01.098