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

Enzymatic activity of Structure of CAA3-Type Cytochrome Oxidase

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

Protein crystallography data

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

Other elements in 2yev:

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

Chlorine Binding Sites:

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 2yev

Go back to Chlorine Binding Sites List in 2yev
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 2yev

Go back to Chlorine Binding Sites List in 2yev
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 2yev

Go back to Chlorine Binding Sites List in 2yev
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

Reference:

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
Page generated: Sat Jul 20 14:59:35 2024

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