Chlorine in PDB 5yt7: Crystal Structure of Circularly Permutated Azurin 3

The structure of Crystal Structure of Circularly Permutated Azurin 3, PDB code: 5yt7 was solved by H.H.Chen, H.P.Liu, Y.Yu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.02 / 1.66
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.888, 87.968, 66.096, 90.00, 110.22, 90.00
R / Rfree (%)	16.2 / 21.7

The structure of Crystal Structure of Circularly Permutated Azurin 3 also contains other interesting chemical elements:

Calcium	(Ca)	3 atoms
Copper	(Cu)	4 atoms
Sodium	(Na)	3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Circularly Permutated Azurin 3 (pdb code 5yt7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Circularly Permutated Azurin 3, PDB code: 5yt7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Circularly Permutated Azurin 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Circularly Permutated Azurin 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:52.1 occ:1.00 N A:GLY2 3.5 21.4 1.0 O A:HOH324 3.7 27.0 1.0 CA A:GLY2 3.7 21.7 1.0 CE A:MET32 4.0 30.6 1.0 SD A:MET1 4.1 23.8 1.0 C A:GLY2 4.2 21.0 1.0 CD2 A:HIS3 4.2 21.8 1.0 O A:GLY2 4.3 22.7 1.0 NE2 A:HIS3 4.5 24.2 1.0 CE1 A:PHE133 4.6 20.1 1.0 C A:MET1 4.7 23.8 1.0 O A:HOH321 4.8 27.8 1.0 SD A:MET32 4.9 25.5 1.0 CD1 A:PHE133 5.0 19.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Circularly Permutated Azurin 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Circularly Permutated Azurin 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl206 b:52.6 occ:1.00 N B:GLY2 3.3 22.7 1.0 CA B:GLY2 3.7 20.9 1.0 SD B:MET1 3.9 26.8 1.0 O B:HOH350 4.2 21.6 1.0 C B:GLY2 4.3 18.4 1.0 O B:GLY2 4.4 20.4 1.0 C B:MET1 4.5 24.9 1.0 CD2 B:HIS3 4.6 15.7 1.0 CE1 B:PHE133 4.7 19.4 1.0 CA B:MET1 4.8 25.5 1.0 CG B:MET1 4.9 25.4 1.0 O B:HOH343 4.9 28.1 1.0 NE2 B:HIS3 5.0 18.1 1.0

H.H.Chen, B.Su, T.T.Zhang, A.Huang, H.P.Liu, Y.Yu, J.Wang. Engineering the Metal-Binding Loop of A Blue Copper Protein By Circular Permutation Rsc Adv 56093 2017.
ISSN: ESSN 2046-2069
DOI: 10.1039/C7RA11512A