Zinc in PDB 4kh1: The R State Structure of E. Coli Atcase with Ctp,Utp, and Magnesium Bound

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

The structure of The R State Structure of E. Coli Atcase with Ctp,Utp, and Magnesium Bound, PDB code: 4kh1 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)	31.81 / 2.20
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	120.870, 120.870, 154.730, 90.00, 90.00, 120.00
R / Rfree (%)	16.3 / 19.6

The structure of The R State Structure of E. Coli Atcase with Ctp,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 Ctp,Utp, and Magnesium Bound (pdb code 4kh1). 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 Ctp,Utp, and Magnesium Bound, PDB code: 4kh1:
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 Ctp,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 Ctp,Utp, and Magnesium Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:47.0 occ:1.00 SG B:CYS141 2.2 46.1 1.0 SG B:CYS114 2.4 43.6 1.0 SG B:CYS109 2.4 48.8 1.0 SG B:CYS138 2.4 43.6 1.0 CB B:CYS138 3.1 38.3 1.0 CB B:CYS114 3.1 41.8 1.0 CB B:CYS141 3.2 38.5 1.0 CB B:CYS109 3.3 47.8 1.0 N B:CYS141 3.7 44.1 1.0 CA B:CYS141 4.0 40.2 1.0 OG B:SER116 4.4 47.1 1.0 CA B:CYS114 4.4 49.3 1.0 CB B:ASN111 4.5 54.4 1.0 CA B:CYS138 4.6 41.7 1.0 CA B:CYS109 4.7 54.0 1.0 ND2 B:ASN111 4.7 47.7 1.0 CB B:TYR140 4.8 42.5 1.0 C B:TYR140 4.8 45.0 1.0 O B:HOH305 4.8 44.0 1.0 C B:CYS141 4.9 42.0 1.0

Zinc binding site 2 out of 2 in the The R State Structure of E. Coli Atcase with Ctp,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 Ctp,Utp, and Magnesium Bound within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn201 b:54.2 occ:1.00 SG D:CYS141 2.3 51.7 1.0 SG D:CYS114 2.3 52.3 1.0 SG D:CYS138 2.3 53.0 1.0 SG D:CYS109 2.4 53.5 1.0 CB D:CYS138 3.1 54.6 1.0 CB D:CYS114 3.1 53.3 1.0 CB D:CYS109 3.2 45.2 1.0 CB D:CYS141 3.3 48.8 1.0 N D:CYS141 3.7 50.5 1.0 CA D:CYS141 4.1 49.6 1.0 OG D:SER116 4.3 53.5 1.0 CA D:CYS114 4.4 52.5 1.0 CB D:ASN111 4.5 56.8 1.0 CA D:CYS138 4.6 52.9 1.0 ND2 D:ASN111 4.6 55.2 1.0 CA D:CYS109 4.6 54.9 1.0 CB D:TYR140 4.8 60.7 1.0 O D:HOH306 4.8 51.2 1.0 C D:TYR140 4.8 55.6 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