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Chlorine in PDB 3lxv: Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis

Enzymatic activity of Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis

All present enzymatic activity of Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis:
1.13.11.3;

Protein crystallography data

The structure of Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis, PDB code: 3lxv was solved by V.M.Purpero, J.D.Lipscomb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.99 / 1.90
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 128.110, 140.590, 167.960, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 24.6

Other elements in 3lxv:

The structure of Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis also contains other interesting chemical elements:

Iron (Fe) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis (pdb code 3lxv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis, PDB code: 3lxv:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3lxv

Go back to Chlorine Binding Sites List in 3lxv
Chlorine binding site 1 out of 3 in the Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl204

b:52.5
occ:1.00
 N B:LEU62 3.0 28.3 1.0
CA B:HIS61 3.5 30.0 1.0
CB B:LEU62 3.7 29.7 1.0
NH2 B:ARG64 3.7 49.8 1.0
CG B:LEU62 3.8 30.2 1.0
C B:HIS61 3.8 28.8 1.0
O B:HOH508 3.8 34.6 1.0
CB B:HIS61 3.8 29.8 1.0
CA B:LEU62 3.9 29.1 1.0
CD1 B:LEU62 4.0 32.2 1.0
CD2 B:HIS61 4.1 32.4 1.0
CG B:HIS61 4.3 33.7 1.0
OE1 C:GLN163 4.4 46.8 1.0
O B:GLY60 4.5 30.5 1.0
CZ B:ARG64 4.7 48.9 1.0
N B:HIS61 4.8 29.1 1.0
O B:LEU62 4.9 28.9 1.0
C B:LEU62 5.0 28.9 1.0
O B:HIS61 5.0 28.3 1.0

Chlorine binding site 2 out of 3 in 3lxv

Go back to Chlorine Binding Sites List in 3lxv
Chlorine binding site 2 out of 3 in the Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cl34

b:54.7
occ:1.00
 OD1 N:ASP362 2.8 33.1 1.0
ND1 N:HIS359 3.0 36.4 1.0
CB N:ASP362 3.3 28.9 1.0
CG N:ASP362 3.5 31.8 1.0
CE1 N:HIS361 3.7 35.6 1.0
CE1 N:HIS359 3.8 36.0 1.0
O N:ALA358 4.0 29.6 1.0
CG N:HIS359 4.0 33.4 1.0
CD1 N:LEU365 4.1 31.9 1.0
CA N:HIS359 4.2 29.8 1.0
NE2 N:HIS361 4.2 32.2 1.0
CB N:HIS359 4.3 29.9 1.0
ND1 N:HIS361 4.6 33.6 1.0
OD2 N:ASP362 4.7 31.8 1.0
C N:ALA358 4.8 31.3 1.0
CA N:ASP362 4.8 29.2 1.0
CB N:LEU365 4.9 31.4 1.0
N N:HIS359 4.9 30.0 1.0

Chlorine binding site 3 out of 3 in 3lxv

Go back to Chlorine Binding Sites List in 3lxv
Chlorine binding site 3 out of 3 in the Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Cl36

b:77.3
occ:1.00
 N O:SER433 2.9 34.4 1.0
OG O:SER433 3.4 37.3 1.0
CB O:ASP432 3.5 33.1 1.0
CB O:SER433 3.5 36.6 1.0
CA O:ASP432 3.8 33.1 1.0
C O:ASP432 3.8 34.1 1.0
CA O:SER433 3.8 35.2 1.0
CG O:ASP432 4.5 34.1 1.0
O O:HOH997 4.6 50.4 1.0
O O:ASP432 5.0 33.7 1.0
OD1 O:ASP432 5.0 33.4 1.0

Reference:

V.M.Purpero, M.P.Valley, D.H.Ohlendorf, J.D.Lipscomb. Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis To Be Published 2010.
Page generated: Sat Dec 12 09:53:59 2020

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