Chlorine in PDB 6kyy: Cu(II) Complex of Hocl-Induced Flavoprotein Disulfide Reductase Rcla From Escherichia Coli

The structure of Cu(II) Complex of Hocl-Induced Flavoprotein Disulfide Reductase Rcla From Escherichia Coli, PDB code: 6kyy was solved by Y.Baek, N.-C.Ha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.24 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.694, 188.955, 95.056, 90.00, 107.62, 90.00
R / Rfree (%)	22.3 / 27.1

The structure of Cu(II) Complex of Hocl-Induced Flavoprotein Disulfide Reductase Rcla From Escherichia Coli also contains other interesting chemical elements:

Copper

(Cu)

32 atoms

The binding sites of Chlorine atom in the Cu(II) Complex of Hocl-Induced Flavoprotein Disulfide Reductase Rcla From Escherichia Coli (pdb code 6kyy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cu(II) Complex of Hocl-Induced Flavoprotein Disulfide Reductase Rcla From Escherichia Coli, PDB code: 6kyy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cu(II) Complex of Hocl-Induced Flavoprotein Disulfide Reductase Rcla From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cu(II) Complex of Hocl-Induced Flavoprotein Disulfide Reductase Rcla From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl510 b:12.1 occ:1.00 N B:ASN327 3.4 11.9 1.0 OE1 C:GLU117 3.8 45.2 1.0 CA B:ASN327 3.8 14.5 1.0 NE C:ARG108 3.9 39.6 1.0 N B:VAL328 3.9 25.1 1.0 OD1 C:ASN115 4.2 40.8 1.0 CB C:ASN115 4.2 13.7 1.0 C B:LYS326 4.3 14.7 1.0 CD C:ARG108 4.3 24.4 1.0 C B:ASN327 4.4 22.2 1.0 OE2 C:GLU117 4.4 48.2 1.0 CD C:GLU117 4.5 33.3 1.0 CA B:LYS326 4.5 14.5 1.0 CG C:ASN115 4.6 36.8 1.0 OD1 B:ASN327 4.8 22.8 1.0 CG C:ARG108 4.9 14.8 1.0 CG2 B:VAL328 4.9 6.2 1.0 CZ C:ARG108 4.9 19.6 1.0 CB B:VAL328 4.9 6.3 1.0 CA B:VAL328 5.0 15.0 1.0

Chlorine binding site 2 out of 2 in the Cu(II) Complex of Hocl-Induced Flavoprotein Disulfide Reductase Rcla From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cu(II) Complex of Hocl-Induced Flavoprotein Disulfide Reductase Rcla From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl510 b:36.4 occ:1.00 N C:TYR168 3.5 28.9 1.0 CG1 C:ILE169 3.7 8.6 1.0 N C:ILE169 3.8 37.8 1.0 CA C:GLY167 4.1 17.3 1.0 C C:GLY167 4.2 24.0 1.0 CA C:TYR168 4.4 22.5 1.0 CB C:ILE169 4.4 13.9 1.0 CD1 C:ILE169 4.4 8.2 1.0 CB C:TYR168 4.5 23.1 1.0 CA C:GLY251 4.5 15.4 1.0 C C:TYR168 4.6 25.9 1.0 N C:GLY251 4.7 16.5 1.0 CA C:ILE169 4.7 19.6 1.0 CD1 C:TYR168 4.9 35.2 1.0

Y.Baek, J.Kim, J.Ahn, I.Jo, S.Hong, S.Ryu, N.-C.Ha. Structure and Function of the Hypochlorous Acid-Induced Flavoprotein Rcla From Escherichia Coli J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X