Chlorine in PDB 2yev: Structure of CAA3-Type Cytochrome Oxidase

All present enzymatic activity of Structure of CAA3-Type Cytochrome Oxidase:
1.9.3.1;

The structure of Structure of CAA3-Type Cytochrome Oxidase, PDB code: 2yev was solved by J.A.Lyons, D.Aragao, T.Soulimane, M.Caffrey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	77.18 / 2.36
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	127.250, 76.030, 300.267, 90.00, 92.21, 90.00
R / Rfree (%)	17.1 / 21.8

The structure of Structure of CAA3-Type Cytochrome Oxidase also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Iron	(Fe)	6 atoms
Copper	(Cu)	6 atoms

The binding sites of Chlorine atom in the Structure of CAA3-Type Cytochrome Oxidase (pdb code 2yev). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of CAA3-Type Cytochrome Oxidase, PDB code: 2yev:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of CAA3-Type Cytochrome Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of CAA3-Type Cytochrome Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl101 b:60.7 occ:1.00 OG1 A:THR308 3.5 48.5 1.0 N A:THR308 3.7 32.1 1.0 N C:HIS64 3.8 93.2 1.0 ND1 C:HIS63 3.8 87.6 1.0 ND1 C:HIS64 3.9 0.7 1.0 CB C:HIS63 4.1 72.5 1.0 CA C:HIS63 4.2 92.3 1.0 CB A:THR308 4.2 37.6 1.0 CA A:SER307 4.2 41.6 1.0 CE1 C:HIS64 4.4 0.9 1.0 CG C:HIS63 4.4 85.4 1.0 C C:HIS63 4.5 91.1 1.0 C A:SER307 4.5 61.5 1.0 CA A:THR308 4.6 50.3 1.0 CB A:SER307 4.7 44.5 1.0 CA C:HIS64 4.7 0.1 1.0 CE1 C:HIS63 4.9 73.8 1.0

Chlorine binding site 2 out of 3 in the Structure of CAA3-Type Cytochrome Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of CAA3-Type Cytochrome Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1701 b:86.6 occ:1.00 NE2 D:HIS775 3.5 64.8 1.0 OG D:SER771 3.7 92.4 1.0 ND1 D:HIS675 3.8 74.2 1.0 ND1 D:HIS678 3.8 88.7 1.0 OD2 F:ASP35 3.8 0.8 1.0 CA D:HIS675 3.9 44.4 1.0 CD2 D:HIS775 4.1 50.1 1.0 CB F:ASP35 4.2 0.0 1.0 O F:GLU32 4.2 1.0 1.0 CB D:HIS675 4.3 42.3 1.0 CG F:ASP35 4.3 0.8 1.0 CB D:HIS678 4.4 79.4 1.0 CG D:HIS675 4.4 55.5 1.0 CG D:HIS678 4.5 98.2 1.0 CE1 D:HIS775 4.7 66.5 1.0 O D:HIS675 4.7 66.8 1.0 N D:HIS675 4.8 55.1 1.0 CE1 D:HIS675 4.8 86.5 1.0 CE1 D:HIS678 4.8 0.2 1.0 C D:HIS675 4.8 64.9 1.0 CB D:SER771 4.9 41.5 1.0 O D:VAL674 5.0 48.7 1.0

Chlorine binding site 3 out of 3 in the Structure of CAA3-Type Cytochrome Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of CAA3-Type Cytochrome Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl101 b:70.2 occ:1.00 OG1 D:THR308 3.4 58.8 1.0 N D:THR308 3.7 51.5 1.0 ND1 F:HIS63 3.8 80.9 1.0 CB F:HIS63 4.0 73.1 1.0 CB D:THR308 4.1 52.6 1.0 CA F:HIS63 4.1 99.4 1.0 CA D:SER307 4.3 49.3 1.0 CG F:HIS63 4.3 78.2 1.0 C F:HIS63 4.3 87.2 1.0 CA D:THR308 4.5 49.2 1.0 C D:SER307 4.5 59.9 1.0 CB D:SER307 4.7 62.3 1.0 CE1 F:HIS63 4.9 82.2 1.0

J.A.Lyons, D.Aragao, O.Slattery, A.V.Pisliakov, T.Soulimane, M.Caffrey. Structural Insights Into Electron Transfer in CAA3-Type Cytochrome Oxidases. Nature V. 487 514 2012.
ISSN: ISSN 0028-0836
PubMed: 22763450
DOI: 10.1038/NATURE11182