Zinc in PDB 4to8: Methicillin-Resistant Staphylococcus Aureus Class Iib Fructose 1,6- Bisphosphate Aldolase

All present enzymatic activity of Methicillin-Resistant Staphylococcus Aureus Class Iib Fructose 1,6- Bisphosphate Aldolase:
4.1.2.13;

The structure of Methicillin-Resistant Staphylococcus Aureus Class Iib Fructose 1,6- Bisphosphate Aldolase, PDB code: 4to8 was solved by G.C.Capodagli, S.D.Pegan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.50 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.464, 96.054, 101.231, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 22.8

The binding sites of Zinc atom in the Methicillin-Resistant Staphylococcus Aureus Class Iib Fructose 1,6- Bisphosphate Aldolase (pdb code 4to8). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Methicillin-Resistant Staphylococcus Aureus Class Iib Fructose 1,6- Bisphosphate Aldolase, PDB code: 4to8:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Methicillin-Resistant Staphylococcus Aureus Class Iib Fructose 1,6- Bisphosphate Aldolase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Methicillin-Resistant Staphylococcus Aureus Class Iib Fructose 1,6- Bisphosphate Aldolase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:20.1 occ:1.00 ND1 A:HIS209 2.1 14.9 1.0 OB1 A:FLC302 2.1 21.4 1.0 NE2 A:HIS86 2.1 18.4 1.0 OG2 A:FLC302 2.1 21.1 1.0 OHB A:FLC302 2.1 17.2 1.0 O A:HOH514 2.2 16.1 1.0 CBC A:FLC302 2.9 24.8 1.0 CB A:FLC302 3.0 25.2 1.0 CE1 A:HIS209 3.0 14.6 1.0 CE1 A:HIS86 3.0 15.3 1.0 CG A:HIS209 3.2 17.3 1.0 CD2 A:HIS86 3.2 14.3 1.0 CGC A:FLC302 3.2 20.6 1.0 CB A:HIS209 3.6 14.0 1.0 CG A:FLC302 3.6 25.0 1.0 OB2 A:FLC302 4.1 24.0 1.0 NE2 A:HIS209 4.1 16.4 1.0 ND1 A:HIS86 4.2 11.7 1.0 CD2 A:HIS209 4.2 14.3 1.0 CG A:HIS86 4.3 17.1 1.0 ND2 A:ASN231 4.3 17.6 1.0 OG1 A:FLC302 4.3 23.4 1.0 CA A:FLC302 4.3 32.3 1.0 O A:HOH472 4.5 18.7 1.0 O A:HOH494 4.5 19.2 1.0 CA A:HIS209 4.5 17.1 1.0 OD1 A:ASP85 4.6 16.5 1.0 OA2 A:FLC302 4.6 31.6 1.0 OD2 A:ASP85 4.7 18.2 1.0 CAC A:FLC302 4.9 31.2 1.0 N A:GLY210 5.0 18.7 1.0

Zinc binding site 2 out of 2 in the Methicillin-Resistant Staphylococcus Aureus Class Iib Fructose 1,6- Bisphosphate Aldolase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Methicillin-Resistant Staphylococcus Aureus Class Iib Fructose 1,6- Bisphosphate Aldolase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:17.6 occ:1.00 OG1 B:FLC302 2.1 18.9 1.0 ND1 B:HIS209 2.1 12.9 1.0 OB2 B:FLC302 2.1 17.4 1.0 NE2 B:HIS86 2.1 15.1 1.0 OHB B:FLC302 2.1 19.5 1.0 O B:HOH491 2.2 12.2 1.0 CBC B:FLC302 2.9 24.8 1.0 CE1 B:HIS209 2.9 11.9 1.0 CB B:FLC302 3.0 24.9 1.0 CE1 B:HIS86 3.1 12.4 1.0 CGC B:FLC302 3.1 19.2 1.0 CD2 B:HIS86 3.2 13.7 1.0 CG B:HIS209 3.2 13.6 1.0 CG B:FLC302 3.6 21.6 1.0 CB B:HIS209 3.6 11.3 1.0 NE2 B:HIS209 4.1 11.2 1.0 OB1 B:FLC302 4.1 25.0 1.0 ND1 B:HIS86 4.2 12.4 1.0 OG2 B:FLC302 4.2 25.0 1.0 ND2 B:ASN231 4.2 13.5 1.0 CD2 B:HIS209 4.3 12.8 1.0 CG B:HIS86 4.3 16.4 1.0 CA B:FLC302 4.4 29.7 1.0 O B:HOH527 4.4 17.3 1.0 O B:HOH486 4.4 16.2 1.0 OA1 B:FLC302 4.5 28.8 1.0 CA B:HIS209 4.5 15.3 1.0 OD1 B:ASP85 4.6 11.6 1.0 OD2 B:ASP85 4.6 20.4 1.0 CAC B:FLC302 4.9 31.8 1.0 N B:GLY210 5.0 15.3 1.0

G.C.Capodagli, S.A.Lee, K.J.Boehm, K.M.Brady, S.D.Pegan. Structural and Functional Characterization of Methicillin-Resistant Staphylococcus Aureus'S Class Iib Fructose 1,6-Bisphosphate Aldolase. Biochemistry 2014.
ISSN: ISSN 0006-2960
PubMed: 25390935
DOI: 10.1021/BI501141T