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Zinc in PDB 1xag: Crystal Structure of Staphlyococcus Aureus 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad+ and Carbaphosphonate

Enzymatic activity of Crystal Structure of Staphlyococcus Aureus 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad+ and Carbaphosphonate

All present enzymatic activity of Crystal Structure of Staphlyococcus Aureus 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad+ and Carbaphosphonate:
4.2.3.4;

Protein crystallography data

The structure of Crystal Structure of Staphlyococcus Aureus 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad+ and Carbaphosphonate, PDB code: 1xag was solved by C.E.Nichols, J.Ren, K.Leslie, B.Dhaliwal, M.Lockyer, I.Charles, A.R.Hawkins, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.64 / 2.45
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 53.290, 53.290, 240.070, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 26.8

Other elements in 1xag:

The structure of Crystal Structure of Staphlyococcus Aureus 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad+ and Carbaphosphonate also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Staphlyococcus Aureus 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad+ and Carbaphosphonate (pdb code 1xag). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Staphlyococcus Aureus 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad+ and Carbaphosphonate, PDB code: 1xag:

Zinc binding site 1 out of 1 in 1xag

Go back to Zinc Binding Sites List in 1xag
Zinc binding site 1 out of 1 in the Crystal Structure of Staphlyococcus Aureus 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad+ and Carbaphosphonate


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 Staphlyococcus Aureus 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad+ and Carbaphosphonate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn601

b:0.6
occ:1.00
 NE2 A:HIS256 2.3 39.8 1.0
NE2 A:HIS242 2.5 49.6 1.0
OE1 A:GLU178 2.5 50.5 1.0
O5 A:CRB500 2.5 44.1 1.0
O4 A:CRB500 2.7 54.8 1.0
CD2 A:HIS256 3.2 29.1 1.0
CD2 A:HIS242 3.3 40.3 1.0
CD A:GLU178 3.3 50.3 1.0
CE1 A:HIS256 3.3 32.0 1.0
C5 A:CRB500 3.5 37.3 1.0
CE1 A:HIS242 3.5 47.1 1.0
C6N A:NAD400 3.6 26.4 1.0
C5N A:NAD400 3.6 42.4 1.0
C4 A:CRB500 3.6 49.2 1.0
CG2 A:VAL260 3.8 29.1 1.0
OE2 A:GLU178 3.9 64.4 1.0
O A:HOH620 4.0 35.8 1.0
OD2 A:ASP130 4.2 35.8 1.0
CG A:GLU178 4.2 55.7 1.0
CG A:HIS256 4.4 31.6 1.0
ND1 A:HIS256 4.4 30.2 1.0
CG A:HIS242 4.5 42.8 1.0
C4N A:NAD400 4.6 45.3 1.0
ND1 A:HIS242 4.6 49.0 1.0
N1N A:NAD400 4.8 38.3 1.0
C6 A:CRB500 4.8 43.2 1.0
C3 A:CRB500 5.0 40.8 1.0

Reference:

C.E.Nichols, J.Ren, K.Leslie, B.Dhaliwal, M.Lockyer, I.Charles, A.R.Hawkins, D.K.Stammers. Comparison of Ligand Induced Conformational Changes and Domain Closure Mechanisms, Between Prokaryotic and Eukaryotic Dehydroquinate Synthases. J.Mol.Biol. V. 343 533 2004.
ISSN: ISSN 0022-2836
PubMed: 15465043
DOI: 10.1016/J.JMB.2004.08.039
Page generated: Wed Oct 16 20:20:44 2024

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