Zinc in PDB 4kh0: The R State Structure of E. Coli Atcase with Atp and Magnesium Bound

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

The structure of The R State Structure of E. Coli Atcase with Atp and Magnesium Bound, PDB code: 4kh0 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)	49.69 / 2.25
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.133, 121.133, 155.107, 90.00, 90.00, 120.00
R / Rfree (%)	16.8 / 20.8

The structure of The R State Structure of E. Coli Atcase with Atp 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 Atp and Magnesium Bound (pdb code 4kh0). 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 Atp and Magnesium Bound, PDB code: 4kh0:
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 Atp 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 Atp and Magnesium Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:31.8 occ:1.00 SG B:CYS141 2.1 33.2 1.0 SG B:CYS138 2.3 31.3 1.0 SG B:CYS109 2.3 34.3 1.0 SG B:CYS114 2.5 33.7 1.0 CB B:CYS138 3.0 21.5 1.0 CB B:CYS114 3.1 25.2 1.0 CB B:CYS109 3.2 34.4 1.0 CB B:CYS141 3.3 30.3 1.0 N B:CYS141 3.7 31.3 1.0 CA B:CYS141 4.1 27.8 1.0 OG B:SER116 4.3 28.9 1.0 CA B:CYS114 4.5 28.9 1.0 CA B:CYS138 4.5 29.2 1.0 CB B:ASN111 4.5 40.0 1.0 CA B:CYS109 4.7 36.7 1.0 O B:HOH309 4.7 32.4 1.0 ND2 B:ASN111 4.8 32.7 1.0 CB B:TYR140 4.8 26.8 1.0 C B:TYR140 4.9 25.6 1.0 C B:CYS141 5.0 28.4 1.0

Zinc binding site 2 out of 2 in the The R State Structure of E. Coli Atcase with Atp 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 Atp and Magnesium Bound within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn201 b:38.8 occ:1.00 SG D:CYS138 2.2 39.0 1.0 SG D:CYS114 2.3 41.5 1.0 SG D:CYS141 2.3 45.2 1.0 SG D:CYS109 2.4 42.5 1.0 CB D:CYS138 3.1 39.4 1.0 CB D:CYS114 3.2 42.9 1.0 CB D:CYS109 3.2 35.6 1.0 CB D:CYS141 3.3 38.8 1.0 N D:CYS141 3.7 37.4 1.0 CA D:CYS141 4.1 42.6 1.0 OG D:SER116 4.3 39.2 1.0 CA D:CYS114 4.5 42.0 1.0 CB D:ASN111 4.5 40.9 1.0 CA D:CYS138 4.5 37.7 1.0 O D:HOH319 4.6 39.9 1.0 CA D:CYS109 4.7 45.7 1.0 ND2 D:ASN111 4.7 33.8 1.0 CB D:TYR140 4.7 42.1 1.0 C D:TYR140 4.8 41.1 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