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Chlorine in PDB 3lkt: 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: 3lkt was solved by J.D.Lipscomb, V.M.Purpero, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.57 / 1.65
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 190.310, 168.040, 128.160, 90.00, 132.30, 90.00
R / Rfree (%) 14.8 / 17.3

Other elements in 3lkt:

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

Iron (Fe) 6 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 3lkt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis, PDB code: 3lkt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 3lkt

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Chlorine binding site 1 out of 9 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
M:Cl7

b:39.0
occ:1.00
 O M:HOH2298 2.7 32.3 1.0
O O:HOH38 2.7 20.7 1.0
O M:LYS325 2.7 14.2 1.0
O M:HOH2546 2.8 30.6 1.0
N M:ALA329 3.2 14.9 1.0
CB M:ILE328 3.6 15.6 1.0
CB M:ALA329 3.6 16.4 1.0
C M:LYS325 3.7 13.8 1.0
CA M:THR326 3.8 15.1 1.0
O M:THR326 3.8 15.8 1.0
N M:ILE328 3.9 14.8 1.0
C M:THR326 3.9 14.6 1.0
CA M:ILE328 4.0 15.1 1.0
C M:ILE328 4.0 15.3 1.0
CA M:ALA329 4.1 15.4 1.0
N M:THR326 4.2 13.4 1.0
O M:HOH2680 4.2 40.5 1.0
CG2 M:ILE328 4.3 16.2 1.0
CG1 M:ILE328 4.5 14.0 1.0
N M:SER327 4.6 14.8 1.0
OE1 O:GLN334 4.8 22.7 1.0
C M:SER327 4.8 15.3 1.0
CD1 M:ILE328 4.9 15.9 1.0
O A:HOH376 4.9 20.0 1.0
CA M:LYS325 4.9 14.2 1.0
CB O:ALA335 5.0 16.6 1.0

Chlorine binding site 2 out of 9 in 3lkt

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Chlorine binding site 2 out of 9 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
M:Cl8

b:59.2
occ:1.00
 N M:PHE535 3.0 19.0 1.0
CA M:HIS534 3.7 18.8 1.0
O M:HOH1787 3.8 31.0 1.0
C M:HIS534 3.8 18.8 1.0
CA M:PHE535 3.8 19.7 1.0
CB M:HIS534 4.3 18.6 1.0
CG M:PHE535 4.5 19.6 1.0
CD1 M:PHE535 4.6 20.4 1.0
O M:THR533 4.7 19.2 1.0
CB M:PHE535 4.8 19.4 1.0
N M:HIS534 4.8 18.3 1.0
CD2 M:PHE535 4.9 18.5 1.0

Chlorine binding site 3 out of 9 in 3lkt

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Chlorine binding site 3 out of 9 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
M:Cl9

b:45.4
occ:1.00
 O M:HOH931 2.9 24.7 1.0
N M:LEU430 3.1 16.2 1.0
O M:HOH832 3.3 19.9 1.0
O M:HOH1485 3.6 27.3 1.0
CA M:CYS429 3.7 16.9 1.0
CB M:CYS429 3.7 17.4 1.0
C M:CYS429 3.8 16.8 1.0
O M:LEU430 4.0 17.6 1.0
CB M:LEU430 4.0 17.6 1.0
CA M:LEU430 4.0 15.8 1.0
CG M:PHE356 4.4 20.4 1.0
CD1 M:PHE356 4.4 19.3 1.0
CG M:LEU430 4.4 18.5 1.0
O M:HOH1882 4.4 35.5 1.0
CD2 M:PHE356 4.4 20.5 1.0
C M:LEU430 4.5 16.8 1.0
CE1 M:PHE356 4.5 18.5 1.0
CE2 M:PHE356 4.6 19.6 1.0
CZ M:PHE356 4.6 20.2 1.0
O M:HOH1942 4.7 37.7 1.0
O M:HOH837 4.9 20.2 1.0
O M:HOH1049 4.9 24.1 1.0
O M:HOH1098 4.9 24.8 1.0
CB M:PHE356 4.9 20.4 1.0

Chlorine binding site 4 out of 9 in 3lkt

Go back to Chlorine Binding Sites List in 3lkt
Chlorine binding site 4 out of 9 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 4 of Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl14

b:61.9
occ:1.00
 NH2 M:ARG383 3.6 21.9 1.0
NH1 M:ARG383 3.7 24.6 1.0
CZ M:ARG383 4.1 23.8 1.0
O M:HOH1677 4.8 34.0 1.0

Chlorine binding site 5 out of 9 in 3lkt

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Chlorine binding site 5 out of 9 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 5 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:Cl13

b:64.2
occ:1.00
 NH1 N:ARG383 3.7 26.6 1.0
NH2 N:ARG383 3.8 26.0 1.0
CZ N:ARG383 4.2 25.8 1.0

Chlorine binding site 6 out of 9 in 3lkt

Go back to Chlorine Binding Sites List in 3lkt
Chlorine binding site 6 out of 9 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 6 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:Cl12

b:70.4
occ:1.00
 NH1 O:ARG383 3.7 25.9 1.0
O O:HOH2447 3.7 42.9 1.0
NH2 O:ARG383 3.7 21.8 1.0
CZ O:ARG383 4.2 24.2 1.0
O O:HOH2043 4.8 37.2 1.0

Chlorine binding site 7 out of 9 in 3lkt

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Chlorine binding site 7 out of 9 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 7 of Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Cl15

b:60.1
occ:1.00
 NH1 P:ARG383 3.6 24.4 1.0
NH2 P:ARG383 3.7 20.2 1.0
CZ P:ARG383 4.1 23.6 1.0
O P:HOH2070 4.9 32.6 1.0

Chlorine binding site 8 out of 9 in 3lkt

Go back to Chlorine Binding Sites List in 3lkt
Chlorine binding site 8 out of 9 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 8 of Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Cl11

b:68.2
occ:1.00
 NH1 Q:ARG383 3.7 25.9 1.0
NH2 Q:ARG383 3.8 26.6 1.0
CZ Q:ARG383 4.2 25.7 1.0
O Q:HOH2448 4.8 36.9 1.0

Chlorine binding site 9 out of 9 in 3lkt

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Chlorine binding site 9 out of 9 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 9 of Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Cl10

b:68.4
occ:1.00
 NH2 R:ARG383 3.6 22.0 1.0
NH1 R:ARG383 3.6 25.6 1.0
O R:HOH2449 3.7 41.9 1.0
CZ R:ARG383 4.1 24.2 1.0
NZ N:LYS390 4.3 35.7 1.0
O R:HOH2004 4.8 38.3 1.0

Reference:

V.M.Purpero, M.P.Valley, D.H.Ohlendorf, J.D.Lipscomb, D.Burk, K.B.Dolbeare, K.C.Brown. Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis To Be Published.
Page generated: Sat Dec 12 09:53:17 2020

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