Zinc in PDB 4kgz: The R State Structure of E. Coli Atcase with Utp and Magnesium Bound

All present enzymatic activity of The R State Structure of E. Coli Atcase with Utp and Magnesium Bound:
2.1.3.2;

The structure of The R State Structure of E. Coli Atcase with Utp and Magnesium Bound, PDB code: 4kgz was solved by G.M.Cockrell, Y.Zheng, W.Guo, A.W.Peterson, E.R.Kantrowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.78 / 2.40
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.378, 121.378, 155.135, 90.00, 90.00, 120.00
R / Rfree (%)	16.5 / 20.3

The structure of The R State Structure of E. Coli Atcase with Utp and Magnesium Bound also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc atom in the The R State Structure of E. Coli Atcase with Utp and Magnesium Bound (pdb code 4kgz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the The R State Structure of E. Coli Atcase with Utp and Magnesium Bound, PDB code: 4kgz:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the The R State Structure of E. Coli Atcase with Utp and Magnesium Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The R State Structure of E. Coli Atcase with Utp and Magnesium Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:41.4 occ:1.00 SG B:CYS141 2.1 35.5 1.0 SG B:CYS138 2.2 37.3 1.0 SG B:CYS109 2.3 43.9 1.0 SG B:CYS114 2.4 43.2 1.0 CB B:CYS138 3.0 28.5 1.0 CB B:CYS114 3.1 35.9 1.0 CB B:CYS141 3.2 35.2 1.0 CB B:CYS109 3.2 36.4 1.0 N B:CYS141 3.7 40.5 1.0 CA B:CYS141 4.0 36.5 1.0 OG B:SER116 4.5 41.1 1.0 CA B:CYS114 4.5 47.7 1.0 CA B:CYS138 4.5 36.9 1.0 CB B:ASN111 4.6 51.2 1.0 CA B:CYS109 4.7 49.5 1.0 CB B:TYR140 4.7 36.7 1.0 ND2 B:ASN111 4.8 43.2 1.0 C B:TYR140 4.8 41.0 1.0 O B:HOH305 4.9 41.5 1.0 C B:CYS141 4.9 38.6 1.0

Zinc binding site 2 out of 2 in the The R State Structure of E. Coli Atcase with Utp and Magnesium Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The R State Structure of E. Coli Atcase with Utp and Magnesium Bound within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn201 b:49.5 occ:1.00 SG D:CYS114 2.2 51.0 1.0 SG D:CYS138 2.3 48.8 1.0 SG D:CYS141 2.3 48.1 1.0 SG D:CYS109 2.4 56.4 1.0 CB D:CYS114 3.0 54.6 1.0 CB D:CYS138 3.1 57.2 1.0 CB D:CYS109 3.2 54.0 1.0 CB D:CYS141 3.4 47.7 1.0 N D:CYS141 3.7 48.4 1.0 CA D:CYS141 4.1 54.3 1.0 OG D:SER116 4.2 47.6 1.0 CA D:CYS114 4.4 50.8 1.0 CB D:ASN111 4.5 55.1 1.0 CA D:CYS138 4.6 56.9 1.0 CA D:CYS109 4.6 57.1 1.0 ND2 D:ASN111 4.6 50.2 1.0 CB D:TYR140 4.8 52.6 1.0 C D:TYR140 4.8 56.7 1.0 O D:HOH312 4.9 50.5 1.0 O D:ASN111 5.0 59.8 1.0

G.M.Cockrell, Y.Zheng, W.Guo, A.W.Peterson, J.K.Truong, E.R.Kantrowitz. New Paradigm For Allosteric Regulation of Escherichia Coli Aspartate Transcarbamoylase. Biochemistry V. 52 8036 2013.
ISSN: ISSN 0006-2960
PubMed: 24138583
DOI: 10.1021/BI401205N