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Zinc in PDB 3r75: Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate, Glutamine and Contaminating ZN2+

Enzymatic activity of Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate, Glutamine and Contaminating ZN2+

All present enzymatic activity of Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate, Glutamine and Contaminating ZN2+:
4.1.3.27;

Protein crystallography data

The structure of Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate, Glutamine and Contaminating ZN2+, PDB code: 3r75 was solved by Q.A.Li, D.V.Mavrodi, L.S.Thomashow, M.Roessle, W.Blankenfeldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.62 / 2.10
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 259.710, 94.512, 53.546, 90.00, 90.00, 90.00
R / Rfree (%) 14.7 / 20

Other elements in 3r75:

The structure of Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate, Glutamine and Contaminating ZN2+ also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate, Glutamine and Contaminating ZN2+ (pdb code 3r75). 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 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate, Glutamine and Contaminating ZN2+, PDB code: 3r75:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3r75

Go back to Zinc Binding Sites List in 3r75
Zinc binding site 1 out of 2 in the Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate, Glutamine and Contaminating ZN2+


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 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate, Glutamine and Contaminating ZN2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn950

b:51.5
occ:0.70
 NE2 A:HIS611 2.2 31.4 1.0
O A:HOH665 2.2 55.1 1.0
SG A:CYG526 2.3 37.0 1.0
O A:TYR566 2.3 36.7 1.0
CD1 A:CYG526 2.7 48.2 1.0
CD2 A:HIS611 3.0 32.5 1.0
C A:TYR566 3.2 33.1 1.0
CB A:CYG526 3.2 29.5 1.0
CE1 A:HIS611 3.2 35.8 1.0
O A:HOH661 3.2 36.0 1.0
OE2 A:CYG526 3.3 39.3 1.0
CG1 A:CYG526 3.4 38.4 1.0
CB A:TYR566 3.5 31.0 1.0
CA A:TYR566 3.7 32.7 1.0
N A:TYR566 4.0 29.6 1.0
N A:ASN567 4.2 32.6 1.0
CG A:HIS611 4.2 31.1 1.0
ND1 A:HIS611 4.3 31.0 1.0
CB A:ASN567 4.4 35.4 1.0
O A:GLN609 4.4 28.0 1.0
CA A:ASN567 4.5 32.9 1.0
CA A:CYG526 4.6 31.7 1.0
CB1 A:CYG526 4.7 36.3 1.0
CB A:PRO492 4.8 32.6 1.0
CG A:TYR566 4.8 30.5 1.0
O A:HOH912 4.9 48.5 1.0

Zinc binding site 2 out of 2 in 3r75

Go back to Zinc Binding Sites List in 3r75
Zinc binding site 2 out of 2 in the Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate, Glutamine and Contaminating ZN2+


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 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate, Glutamine and Contaminating ZN2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn950

b:47.7
occ:0.70
 O B:HOH666 2.2 47.4 1.0
SG B:CYG526 2.2 29.3 1.0
O B:TYR566 2.3 25.7 1.0
NE2 B:HIS611 2.3 26.2 1.0
CD1 B:CYG526 2.6 36.5 1.0
CD2 B:HIS611 3.1 27.3 1.0
C B:TYR566 3.1 22.7 1.0
CB B:CYG526 3.1 28.9 1.0
O B:HOH704 3.2 31.2 1.0
OE2 B:CYG526 3.3 32.2 1.0
CG1 B:CYG526 3.3 31.1 1.0
CE1 B:HIS611 3.3 27.6 1.0
CB B:TYR566 3.5 23.0 1.0
CA B:TYR566 3.7 23.4 1.0
N B:TYR566 4.0 23.2 1.0
N B:ASN567 4.1 23.2 1.0
CB B:ASN567 4.3 26.4 1.0
CG B:HIS611 4.3 32.1 1.0
ND1 B:HIS611 4.4 26.0 1.0
O B:GLN609 4.4 26.9 1.0
CA B:ASN567 4.4 24.8 1.0
CA B:CYG526 4.5 28.7 1.0
O B:HOH971 4.5 53.7 1.0
CB1 B:CYG526 4.6 29.0 1.0
CB B:PRO492 4.8 30.6 1.0
CG B:TYR566 4.9 25.4 1.0
O B:HOH911 5.0 42.4 1.0

Reference:

Q.A.Li, D.V.Mavrodi, L.S.Thomashow, M.Roessle, W.Blankenfeldt. Ligand Binding Induces An Ammonia Channel in 2-Amino-2-Desoxyisochorismate (Adic) Synthase Phze. J.Biol.Chem. V. 286 18213 2011.
ISSN: ISSN 0021-9258
PubMed: 21454481
DOI: 10.1074/JBC.M110.183418
Page generated: Sat Oct 26 14:41:16 2024

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