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Chlorine in PDB 1tg5: Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645

Enzymatic activity of Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645

All present enzymatic activity of Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645:
1.13.11.27;

Protein crystallography data

The structure of Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645, PDB code: 1tg5 was solved by C.Yang, J.W.Pflugrath, D.L.Camper, M.L.Foster, D.J.Pernich, T.A.Walsh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 77.464, 83.871, 63.301, 90.00, 102.28, 90.00
R / Rfree (%) 18.8 / 23.4

Other elements in 1tg5:

The structure of Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645 also contains other interesting chemical elements:

Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645 (pdb code 1tg5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645, PDB code: 1tg5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 1tg5

Go back to Chlorine Binding Sites List in 1tg5
Chlorine binding site 1 out of 5 in the Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:10.6
occ:1.00
 CL1 A:645501 0.0 10.6 1.0
C5 A:645501 1.5 21.5 1.0
C6 A:645501 2.5 23.1 1.0
C4 A:645501 2.6 20.6 1.0
C3 A:645501 2.8 15.3 1.0
CL2 A:645501 3.4 20.2 0.7
C17 A:645501 3.5 22.2 0.7
O2 A:645501 3.5 10.1 1.0
CE2 A:PHE360 3.6 20.1 1.0
C21 A:645501 3.7 21.9 0.3
C2 A:645501 3.7 18.4 1.0
CZ A:PHE371 3.8 15.4 1.0
CE1 A:PHE371 3.8 15.4 1.0
C7 A:645501 3.9 28.0 1.0
C9 A:645501 3.9 23.8 1.0
CZ A:PHE360 4.0 20.2 1.0
C16 A:645501 4.0 22.6 0.7
CE1 A:HIS287 4.0 17.1 1.0
C18 A:645501 4.1 23.2 0.7
C11 A:645501 4.1 21.2 1.0
C16 A:645501 4.1 22.0 0.3
CD2 A:PHE360 4.1 20.0 1.0
ND1 A:HIS287 4.3 17.1 1.0
C8 A:645501 4.4 25.6 1.0
C20 A:645501 4.4 21.9 0.3
NE2 A:HIS287 4.5 17.1 1.0
C21 A:645501 4.7 22.9 0.7
C1 A:645501 4.7 19.5 1.0
CE1 A:PHE360 4.7 20.1 1.0
CG A:PHE360 4.9 19.9 1.0
C19 A:645501 4.9 24.1 0.7
CG A:HIS287 4.9 17.0 1.0
NE2 A:GLN286 4.9 16.7 1.0
OE1 A:GLN286 5.0 16.7 1.0

Chlorine binding site 2 out of 5 in 1tg5

Go back to Chlorine Binding Sites List in 1tg5
Chlorine binding site 2 out of 5 in the Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:21.4
occ:0.30
 CL2 A:645501 0.0 21.4 0.3
C17 A:645501 1.5 22.1 0.3
C21 A:645501 2.4 22.9 0.7
C16 A:645501 2.6 22.0 0.3
C18 A:645501 2.7 22.5 0.3
C11 A:645501 2.8 21.2 1.0
N1 A:645501 2.9 21.6 1.0
C16 A:645501 2.9 22.6 0.7
CA A:LYS400 3.2 32.4 1.0
N A:LYS400 3.2 31.3 1.0
C20 A:645501 3.4 23.9 0.7
CG A:LYS400 3.4 33.1 1.0
CD A:LYS400 3.5 33.4 1.0
C A:GLY399 3.6 30.2 1.0
O A:HOH1011 3.7 31.3 1.0
C21 A:645501 3.7 21.9 0.3
C9 A:645501 3.8 23.8 1.0
CB A:LYS400 3.8 32.7 1.0
C2 A:645501 3.8 18.4 1.0
N2 A:645501 3.8 21.0 1.0
O A:GLY399 3.8 30.2 1.0
C19 A:645501 4.0 22.1 0.3
O A:PHE398 4.1 26.8 1.0
CE A:LYS400 4.2 33.5 1.0
C1 A:645501 4.2 19.5 1.0
C4 A:645501 4.2 20.6 1.0
C8 A:645501 4.4 25.6 1.0
C20 A:645501 4.4 21.9 0.3
C A:PHE398 4.4 26.8 1.0
C17 A:645501 4.4 22.2 0.7
C15 A:645501 4.4 25.3 1.0
C3 A:645501 4.4 15.3 1.0
C A:LYS400 4.5 33.0 1.0
CA A:GLY399 4.5 29.1 1.0
N A:GLY399 4.6 27.8 1.0
C12 A:645501 4.7 23.6 1.0
C19 A:645501 4.7 24.1 0.7
CB A:PHE398 4.8 25.1 1.0
O A:HOH1202 4.8 31.5 1.0
O A:LYS400 4.8 33.0 1.0
CL3 A:645501 5.0 20.1 0.3

Chlorine binding site 3 out of 5 in 1tg5

Go back to Chlorine Binding Sites List in 1tg5
Chlorine binding site 3 out of 5 in the Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:20.2
occ:0.70
 CL2 A:645501 0.0 20.2 0.7
C17 A:645501 1.5 22.2 0.7
C21 A:645501 2.5 21.9 0.3
C18 A:645501 2.7 23.2 0.7
C16 A:645501 2.7 22.6 0.7
C16 A:645501 3.0 22.0 0.3
C11 A:645501 3.0 21.2 1.0
CL1 A:645501 3.4 10.6 1.0
C20 A:645501 3.4 21.9 0.3
N1 A:645501 3.5 21.6 1.0
C2 A:645501 3.5 18.4 1.0
OE1 A:GLN286 3.6 16.7 1.0
CD1 A:LEU244 3.7 27.9 1.0
NE2 A:GLN286 3.7 16.7 1.0
ND2 A:ASN261 3.8 20.5 1.0
C21 A:645501 3.8 22.9 0.7
C5 A:645501 3.9 21.5 1.0
C19 A:645501 4.0 24.1 0.7
C3 A:645501 4.0 15.3 1.0
C1 A:645501 4.0 19.5 1.0
CD A:GLN286 4.1 16.7 1.0
N2 A:645501 4.1 21.0 1.0
CE1 A:HIS287 4.1 17.1 1.0
C4 A:645501 4.2 20.6 1.0
OD1 A:ASN261 4.3 20.5 1.0
CG A:ASN261 4.3 20.5 1.0
C20 A:645501 4.4 23.9 0.7
ND1 A:HIS287 4.5 17.1 1.0
C13 A:645501 4.5 24.5 1.0
C17 A:645501 4.5 22.1 0.3
C19 A:645501 4.8 22.1 0.3
C6 A:645501 4.8 23.1 1.0
O A:HOH1011 4.9 31.3 1.0
O1 A:645501 4.9 16.7 1.0
CL3 A:645501 5.0 23.5 0.7
O A:HOH1258 5.0 54.1 1.0

Chlorine binding site 4 out of 5 in 1tg5

Go back to Chlorine Binding Sites List in 1tg5
Chlorine binding site 4 out of 5 in the Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:20.1
occ:0.30
 CL3 A:645501 0.0 20.1 0.3
C19 A:645501 1.3 22.1 0.3
CL3 A:645501 1.7 23.5 0.7
C19 A:645501 1.9 24.1 0.7
C20 A:645501 1.9 23.9 0.7
C18 A:645501 2.3 22.5 0.3
C20 A:645501 2.4 21.9 0.3
C21 A:645501 3.2 22.9 0.7
C18 A:645501 3.3 23.2 0.7
CD1 A:PHE403 3.3 38.7 1.0
C21 A:645501 3.6 21.9 0.3
CG A:PHE403 3.7 38.6 1.0
C17 A:645501 3.7 22.1 0.3
CB A:PHE403 3.8 38.5 1.0
CB A:SER242 4.0 34.1 1.0
CE1 A:PHE403 4.0 38.7 1.0
CD2 A:LEU244 4.0 27.9 1.0
C16 A:645501 4.1 22.0 0.3
C16 A:645501 4.2 22.6 0.7
CA A:SER242 4.3 34.0 1.0
C17 A:645501 4.4 22.2 0.7
O3 A:645501 4.5 30.1 1.0
CD2 A:PHE403 4.6 38.6 1.0
O A:SER242 4.7 33.2 1.0
O A:HOH1258 4.9 54.1 1.0
CZ A:PHE403 4.9 38.7 1.0
C A:SER242 4.9 33.2 1.0
CD1 A:LEU244 5.0 27.9 1.0
CA A:PHE403 5.0 38.4 1.0
CL2 A:645501 5.0 21.4 0.3
C7 A:645501 5.0 28.0 1.0

Chlorine binding site 5 out of 5 in 1tg5

Go back to Chlorine Binding Sites List in 1tg5
Chlorine binding site 5 out of 5 in the Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structures of Plant 4-Hydroxyphenylpyruvate Dioxygenases Complexed with DAS645 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:23.5
occ:0.70
 CL3 A:645501 0.0 23.5 0.7
C19 A:645501 1.3 24.1 0.7
CL3 A:645501 1.7 20.1 0.3
C20 A:645501 1.9 21.9 0.3
C19 A:645501 1.9 22.1 0.3
C18 A:645501 2.3 23.2 0.7
C20 A:645501 2.5 23.9 0.7
O A:HOH1258 3.2 54.1 1.0
C21 A:645501 3.2 21.9 0.3
C18 A:645501 3.3 22.5 0.3
C21 A:645501 3.6 22.9 0.7
C17 A:645501 3.7 22.2 0.7
CD2 A:LEU244 4.0 27.9 1.0
C16 A:645501 4.1 22.6 0.7
O A:SER242 4.2 33.2 1.0
C16 A:645501 4.2 22.0 0.3
CD1 A:PHE403 4.2 38.7 1.0
CD1 A:LEU244 4.3 27.9 1.0
C17 A:645501 4.4 22.1 0.3
O A:HOH1108 4.4 35.1 1.0
O3 A:645501 4.5 30.1 1.0
CB A:SER242 4.6 34.1 1.0
CE1 A:PHE403 4.6 38.7 1.0
CA A:SER242 4.7 34.0 1.0
C6 A:645501 4.7 23.1 1.0
C A:SER242 4.8 33.2 1.0
CG A:LEU244 4.9 27.9 1.0
C7 A:645501 5.0 28.0 1.0
CL2 A:645501 5.0 20.2 0.7
CG A:PHE403 5.0 38.6 1.0

Reference:

C.Yang, J.W.Pflugrath, D.L.Camper, M.L.Foster, D.J.Pernich, T.A.Walsh. Structural Basis For Herbicidal Inhibitor Selectivity Revealed By Comparison of Crystal Structures of Plant and Mammalian 4-Hydroxyphenylpyruvate Dioxygenases Biochemistry V. 43 10414 2004.
ISSN: ISSN 0006-2960
PubMed: 15301540
DOI: 10.1021/BI049323O
Page generated: Sat Dec 12 08:49:55 2020

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