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

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

All present enzymatic activity of Crystal Structure of Staphlyococcus Aureus 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad+ and Carbaphosphonate (Soak):
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 (Soak), PDB code: 1xal 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) 29.86 / 2.80
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 55.100, 55.100, 232.319, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 26.5

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 (Soak) (pdb code 1xal). 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 Staphlyococcus Aureus 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad+ and Carbaphosphonate (Soak), PDB code: 1xal:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1xal

Go back to Zinc Binding Sites List in 1xal
Zinc binding site 1 out of 2 in the Crystal Structure of Staphlyococcus Aureus 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad+ and Carbaphosphonate (Soak)


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 (Soak) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn600

b:0.8
occ:1.00
OE1 A:GLU178 2.3 81.9 1.0
O4 A:CRB500 2.4 0.6 1.0
NE2 A:HIS242 2.5 66.6 1.0
O5 A:CRB500 2.6 0.1 1.0
NE2 A:HIS256 2.7 62.1 1.0
CD2 A:HIS242 3.0 66.5 1.0
CD2 A:HIS256 3.2 47.9 1.0
C4 A:CRB500 3.3 0.3 1.0
C5 A:CRB500 3.4 0.7 1.0
CD A:GLU178 3.4 73.6 1.0
CE1 A:HIS242 3.7 72.6 1.0
CE1 A:HIS256 3.8 65.9 1.0
C5N A:NAD400 3.9 40.8 1.0
C6N A:NAD400 3.9 57.3 1.0
OE2 A:GLU178 4.0 81.7 1.0
O A:HOH628 4.2 40.2 1.0
OD2 A:ASP130 4.3 58.0 1.0
CG A:HIS242 4.3 67.0 1.0
CG A:HIS256 4.5 49.7 1.0
CG2 A:VAL260 4.5 56.5 1.0
CG A:GLU178 4.5 49.8 1.0
NZ A:LYS181 4.6 42.4 1.0
ND1 A:HIS242 4.6 74.0 1.0
C3 A:CRB500 4.7 0.7 1.0
ND1 A:HIS256 4.7 61.5 1.0
C6 A:CRB500 4.8 0.3 1.0
C4N A:NAD400 4.9 51.9 1.0

Zinc binding site 2 out of 2 in 1xal

Go back to Zinc Binding Sites List in 1xal
Zinc binding site 2 out of 2 in the Crystal Structure of Staphlyococcus Aureus 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad+ and Carbaphosphonate (Soak)


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

b:0.7
occ:1.00
OE1 B:GLU178 2.3 81.5 1.0
O4 B:CRB501 2.4 0.8 1.0
NE2 B:HIS242 2.5 66.4 1.0
O5 B:CRB501 2.6 0.4 1.0
NE2 B:HIS256 2.7 60.4 1.0
CD2 B:HIS242 3.0 66.1 1.0
CD2 B:HIS256 3.2 40.8 1.0
C4 B:CRB501 3.3 0.6 1.0
CD B:GLU178 3.4 74.5 1.0
C5 B:CRB501 3.4 0.1 1.0
CE1 B:HIS242 3.7 74.6 1.0
CE1 B:HIS256 3.9 65.4 1.0
C5N B:NAD401 3.9 49.9 1.0
C6N B:NAD401 3.9 61.4 1.0
OE2 B:GLU178 4.0 79.4 1.0
O B:HOH627 4.2 43.9 1.0
OD2 B:ASP130 4.2 49.1 1.0
CG B:HIS242 4.3 66.9 1.0
CG B:HIS256 4.5 46.1 1.0
CG2 B:VAL260 4.5 52.3 1.0
CG B:GLU178 4.5 53.5 1.0
NZ B:LYS181 4.6 43.1 1.0
ND1 B:HIS242 4.6 77.4 1.0
C3 B:CRB501 4.7 99.5 1.0
ND1 B:HIS256 4.8 58.9 1.0
C6 B:CRB501 4.8 0.9 1.0
C4N B:NAD401 4.9 48.2 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 Dec 16 03:12:08 2020

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