Chlorine in PDB 6ofu: X-Ray Crystal Structure of the Ydji Aldolase From Escherichia Coli K12

The structure of X-Ray Crystal Structure of the Ydji Aldolase From Escherichia Coli K12, PDB code: 6ofu was solved by B.J.Dopkins, J.B.Thoden, J.P.Huddleston, T.Narindoshvili, B.Fose, F.M.Rachel, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.74 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.763, 85.663, 84.268, 90.00, 109.88, 90.00
R / Rfree (%)	14.1 / 18.2

The structure of X-Ray Crystal Structure of the Ydji Aldolase From Escherichia Coli K12 also contains other interesting chemical elements:

Zinc

(Zn)

5 atoms

The binding sites of Chlorine atom in the X-Ray Crystal Structure of the Ydji Aldolase From Escherichia Coli K12 (pdb code 6ofu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Crystal Structure of the Ydji Aldolase From Escherichia Coli K12, PDB code: 6ofu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Crystal Structure of the Ydji Aldolase From Escherichia Coli K12


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of the Ydji Aldolase From Escherichia Coli K12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:23.6 occ:1.00 O A:HOH1269 3.1 32.6 1.0 O A:HOH1306 3.1 30.0 1.0 NE A:ARG164 3.3 18.1 1.0 NH2 A:ARG164 3.6 19.2 1.0 CZ A:ARG164 3.9 19.4 1.0 CB A:ARG164 3.9 18.9 1.0 CD A:LYS117 4.1 21.6 1.0 CG2 A:ILE113 4.1 16.8 1.0 CG A:ARG164 4.2 18.6 1.0 CD A:ARG164 4.3 19.9 1.0 CE A:LYS117 4.5 27.1 1.0 O A:ARG164 4.5 18.1 1.0 O A:HOH1323 4.6 29.4 1.0 O A:HOH1281 4.7 29.4 1.0 CA A:ARG164 4.7 18.2 1.0 C A:ARG164 4.9 18.9 1.0

Chlorine binding site 2 out of 2 in the X-Ray Crystal Structure of the Ydji Aldolase From Escherichia Coli K12


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of the Ydji Aldolase From Escherichia Coli K12 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:32.4 occ:1.00 O B:HOH463 3.0 30.1 1.0 NE B:ARG164 3.2 20.2 1.0 O B:HOH642 3.4 39.5 1.0 NH2 B:ARG164 3.5 21.9 1.0 CZ B:ARG164 3.8 21.1 1.0 CB B:ARG164 4.0 21.1 1.0 CG2 B:ILE113 4.0 21.0 1.0 CG B:ARG164 4.2 21.4 1.0 O B:ARG164 4.2 21.3 1.0 CD B:LYS117 4.3 24.2 1.0 CD B:ARG164 4.3 21.8 1.0 CE B:LYS117 4.5 26.5 1.0 CA B:ARG164 4.7 20.4 1.0 C B:ARG164 4.8 22.4 1.0 O B:HOH670 4.8 27.3 1.0 O B:HOH473 5.0 25.9 1.0

J.P.Huddleston, J.B.Thoden, B.J.Dopkins, T.Narindoshvili, B.J.Fose, H.M.Holden, F.M.Raushel. Structural and Functional Characterization of Ydji, An Aldolase of Unknown Specificity Inescherichia COLIK12. Biochemistry V. 58 3340 2019.
ISSN: ISSN 0006-2960
PubMed: 31322866
DOI: 10.1021/ACS.BIOCHEM.9B00326