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Chlorine in PDB 1nr5: Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad and Carbaphosphonate

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

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

Protein crystallography data

The structure of Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad and Carbaphosphonate, PDB code: 1nr5 was solved by C.E.Nichols, J.Ren, H.K.Lamb, 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) 27.22 / 2.10
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 133.990, 86.560, 74.820, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 23.2

Other elements in 1nr5:

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

Cobalt (Co) 1 atom
Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad and Carbaphosphonate (pdb code 1nr5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad and Carbaphosphonate, PDB code: 1nr5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1nr5

Go back to Chlorine Binding Sites List in 1nr5
Chlorine binding site 1 out of 2 in the Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad and Carbaphosphonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad and Carbaphosphonate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:40.8
occ:0.50
O A:HOH1622 2.8 22.8 1.0
NZ A:LYS89 3.1 17.5 1.0
CE A:LYS89 3.9 18.4 1.0
CZ A:PHE123 3.9 14.4 1.0
O A:HOH1559 4.1 26.9 1.0
CD A:LYS89 4.2 18.4 1.0
CE2 A:PHE123 4.3 19.7 1.0
O A:HOH1512 4.5 25.2 1.0
CE1 A:PHE123 4.8 14.6 1.0

Chlorine binding site 2 out of 2 in 1nr5

Go back to Chlorine Binding Sites List in 1nr5
Chlorine binding site 2 out of 2 in the Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad and Carbaphosphonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, Nad and Carbaphosphonate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl604

b:62.3
occ:0.50
O B:HOH1608 2.8 36.0 1.0
NZ B:LYS89 2.9 37.9 1.0
CE B:LYS89 3.8 34.5 1.0
O B:HOH1599 4.0 30.6 1.0
O B:HOH1550 4.1 36.5 1.0
CD B:LYS89 4.2 38.8 1.0
CZ B:PHE123 4.2 23.9 1.0
CE2 B:PHE123 4.4 29.2 1.0

Reference:

C.E.Nichols, J.Ren, H.K.Lamb, A.R.Hawkins, D.K.Stammers. Ligand-Induced Conformational Changes and A Mechanism For Domain Closure in Aspergillus Nidulans Dehydroquinate Synthase J.Mol.Biol. V. 327 129 2003.
ISSN: ISSN 0022-2836
PubMed: 12614613
DOI: 10.1016/S0022-2836(03)00086-X
Page generated: Sat Dec 12 08:43:54 2020

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