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Fluorine in PDB 1t47: Structure of FE2-Hppd Bound to Ntbc

Enzymatic activity of Structure of FE2-Hppd Bound to Ntbc

All present enzymatic activity of Structure of FE2-Hppd Bound to Ntbc:
1.13.11.27;

Protein crystallography data

The structure of Structure of FE2-Hppd Bound to Ntbc, PDB code: 1t47 was solved by J.Brownlee, K.Johnson-Winters, D.H.T.Harrison, G.R.Moran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.50
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 81.288, 162.045, 56.150, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 23.8

Other elements in 1t47:

The structure of Structure of FE2-Hppd Bound to Ntbc also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of FE2-Hppd Bound to Ntbc (pdb code 1t47). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of FE2-Hppd Bound to Ntbc, PDB code: 1t47:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1t47

Go back to Fluorine Binding Sites List in 1t47
Fluorine binding site 1 out of 6 in the Structure of FE2-Hppd Bound to Ntbc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of FE2-Hppd Bound to Ntbc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F551

b:31.6
occ:1.00
 F2 A:NTD551 0.0 31.6 1.0
C14 A:NTD551 1.3 30.6 1.0
F3 A:NTD551 2.2 30.6 1.0
F1 A:NTD551 2.2 33.2 1.0
C11 A:NTD551 2.3 31.4 1.0
C12 A:NTD551 3.1 30.7 1.0
C10 A:NTD551 3.2 29.9 1.0
CD2 A:LEU367 3.4 19.8 1.0
CD1 A:LEU323 3.4 21.1 1.0
CB A:ASN363 3.5 22.5 1.0
CE2 A:PHE336 3.7 5.9 1.0
OE1 A:GLN334 4.3 22.6 1.0
CD2 A:PHE336 4.3 12.2 1.0
CG A:ASN363 4.3 21.7 1.0
C13 A:NTD551 4.4 26.8 1.0
ND2 A:ASN363 4.4 18.4 1.0
C9 A:NTD551 4.4 30.8 1.0
CZ A:PHE336 4.5 8.8 1.0
O A:ASN363 4.6 30.1 1.0
C A:ASN363 4.7 26.2 1.0
O A:GLY360 4.7 25.8 1.0
CA A:ASN363 4.7 25.6 1.0
CG A:LEU323 4.8 21.7 1.0
CG A:LEU367 4.8 23.0 1.0
C8 A:NTD551 4.9 29.3 1.0

Fluorine binding site 2 out of 6 in 1t47

Go back to Fluorine Binding Sites List in 1t47
Fluorine binding site 2 out of 6 in the Structure of FE2-Hppd Bound to Ntbc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of FE2-Hppd Bound to Ntbc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F551

b:30.6
occ:1.00
 F3 A:NTD551 0.0 30.6 1.0
C14 A:NTD551 1.3 30.6 1.0
F1 A:NTD551 2.2 33.2 1.0
F2 A:NTD551 2.2 31.6 1.0
C11 A:NTD551 2.4 31.4 1.0
C10 A:NTD551 2.7 29.9 1.0
C12 A:NTD551 3.6 30.7 1.0
CE2 A:PHE364 3.7 27.6 1.0
CD2 A:LEU367 3.8 19.8 1.0
CD2 A:PHE364 4.0 27.2 1.0
C9 A:NTD551 4.1 30.8 1.0
CZ A:PHE364 4.4 26.4 1.0
ON1 A:NTD551 4.7 34.9 1.0
CE2 A:PHE336 4.7 5.9 1.0
C13 A:NTD551 4.8 26.8 1.0
O A:ASN363 4.8 30.1 1.0
CG A:LEU367 4.8 23.0 1.0
CG A:PHE364 4.9 27.2 1.0
CB A:ASN363 4.9 22.5 1.0
N A:NTD551 4.9 33.0 1.0
C8 A:NTD551 5.0 29.3 1.0

Fluorine binding site 3 out of 6 in 1t47

Go back to Fluorine Binding Sites List in 1t47
Fluorine binding site 3 out of 6 in the Structure of FE2-Hppd Bound to Ntbc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of FE2-Hppd Bound to Ntbc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F551

b:33.2
occ:1.00
 F1 A:NTD551 0.0 33.2 1.0
C14 A:NTD551 1.3 30.6 1.0
F3 A:NTD551 2.2 30.6 1.0
F2 A:NTD551 2.2 31.6 1.0
C11 A:NTD551 2.3 31.4 1.0
C12 A:NTD551 2.8 30.7 1.0
CB A:ASN363 3.2 22.5 1.0
C A:ASN363 3.2 26.2 1.0
N A:PHE364 3.3 23.6 1.0
O A:ASN363 3.5 30.1 1.0
CD2 A:PHE364 3.5 27.2 1.0
C10 A:NTD551 3.6 29.9 1.0
CE2 A:PHE364 3.7 27.6 1.0
CA A:ASN363 3.7 25.6 1.0
CG A:PHE364 3.8 27.2 1.0
CA A:PHE364 3.8 21.3 1.0
CD2 A:LEU367 3.8 19.8 1.0
O A:GLY360 3.9 25.8 1.0
CZ A:PHE364 4.1 26.4 1.0
CD1 A:PHE364 4.2 31.5 1.0
C13 A:NTD551 4.2 26.8 1.0
CE1 A:PHE364 4.3 29.0 1.0
CB A:PHE364 4.4 24.5 1.0
N A:ASN363 4.4 28.9 1.0
CG A:ASN363 4.5 21.7 1.0
C9 A:NTD551 4.7 30.8 1.0
C8 A:NTD551 5.0 29.3 1.0
ND2 A:ASN363 5.0 18.4 1.0

Fluorine binding site 4 out of 6 in 1t47

Go back to Fluorine Binding Sites List in 1t47
Fluorine binding site 4 out of 6 in the Structure of FE2-Hppd Bound to Ntbc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of FE2-Hppd Bound to Ntbc within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F550

b:26.1
occ:1.00
 F2 B:NTD550 0.0 26.1 1.0
C14 B:NTD550 1.3 23.6 1.0
F1 B:NTD550 2.2 22.3 1.0
F3 B:NTD550 2.2 25.6 1.0
C11 B:NTD550 2.4 22.6 1.0
C12 B:NTD550 2.8 19.0 1.0
N B:PHE364 3.0 19.7 1.0
C B:ASN363 3.1 21.8 1.0
CB B:ASN363 3.2 20.5 1.0
CD2 B:PHE364 3.4 19.1 1.0
CA B:PHE364 3.5 20.1 1.0
O B:ASN363 3.6 23.4 1.0
C10 B:NTD550 3.6 22.4 1.0
CG B:PHE364 3.6 20.8 1.0
CA B:ASN363 3.6 20.4 1.0
CE2 B:PHE364 3.7 13.6 1.0
O B:GLY360 4.0 19.1 1.0
CD1 B:LEU367 4.0 14.1 1.0
CD1 B:PHE364 4.0 18.6 1.0
CZ B:PHE364 4.1 18.7 1.0
CB B:PHE364 4.2 16.6 1.0
C13 B:NTD550 4.2 21.3 1.0
CE1 B:PHE364 4.2 17.9 1.0
N B:ASN363 4.3 22.1 1.0
CG B:ASN363 4.5 17.7 1.0
C9 B:NTD550 4.7 26.2 1.0
CG B:LEU367 4.8 16.6 1.0
C B:PHE364 4.9 25.0 1.0
C8 B:NTD550 5.0 22.3 1.0

Fluorine binding site 5 out of 6 in 1t47

Go back to Fluorine Binding Sites List in 1t47
Fluorine binding site 5 out of 6 in the Structure of FE2-Hppd Bound to Ntbc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of FE2-Hppd Bound to Ntbc within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F550

b:25.6
occ:1.00
 F3 B:NTD550 0.0 25.6 1.0
C14 B:NTD550 1.3 23.6 1.0
F2 B:NTD550 2.2 26.1 1.0
F1 B:NTD550 2.2 22.3 1.0
C11 B:NTD550 2.3 22.6 1.0
C12 B:NTD550 3.1 19.0 1.0
C10 B:NTD550 3.2 22.4 1.0
CB B:ASN363 3.4 20.5 1.0
CD1 B:LEU323 3.4 7.0 1.0
CD1 B:LEU367 3.5 14.1 1.0
CE2 B:PHE336 3.7 12.7 1.0
CG B:ASN363 4.2 17.7 1.0
OE1 B:GLN334 4.3 19.0 1.0
ND2 B:ASN363 4.4 11.9 1.0
CZ B:PHE336 4.4 14.1 1.0
C13 B:NTD550 4.4 21.3 1.0
C9 B:NTD550 4.4 26.2 1.0
C B:ASN363 4.5 21.8 1.0
CA B:ASN363 4.5 20.4 1.0
CD2 B:PHE336 4.5 13.1 1.0
CG B:LEU367 4.6 16.6 1.0
O B:ASN363 4.7 23.4 1.0
O B:GLY360 4.8 19.1 1.0
CG B:LEU323 4.8 10.9 1.0
N B:PHE364 4.9 19.7 1.0
C8 B:NTD550 4.9 22.3 1.0
CD B:GLN334 5.0 15.6 1.0

Fluorine binding site 6 out of 6 in 1t47

Go back to Fluorine Binding Sites List in 1t47
Fluorine binding site 6 out of 6 in the Structure of FE2-Hppd Bound to Ntbc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of FE2-Hppd Bound to Ntbc within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F550

b:22.3
occ:1.00
 F1 B:NTD550 0.0 22.3 1.0
C14 B:NTD550 1.3 23.6 1.0
F2 B:NTD550 2.2 26.1 1.0
F3 B:NTD550 2.2 25.6 1.0
C11 B:NTD550 2.4 22.6 1.0
C10 B:NTD550 2.8 22.4 1.0
CD1 B:LEU367 3.6 14.1 1.0
C12 B:NTD550 3.6 19.0 1.0
CE2 B:PHE364 3.8 13.6 1.0
CD2 B:PHE364 4.0 19.1 1.0
C9 B:NTD550 4.1 26.2 1.0
CZ B:PHE364 4.6 18.7 1.0
ON1 B:NTD550 4.7 36.4 1.0
C13 B:NTD550 4.7 21.3 1.0
CG B:PHE364 4.8 20.8 1.0
CE2 B:PHE336 4.8 12.7 1.0
CB B:ASN363 4.8 20.5 1.0
O B:ASN363 4.9 23.4 1.0
C B:ASN363 4.9 21.8 1.0
N B:PHE364 4.9 19.7 1.0
N B:NTD550 4.9 30.6 1.0
CG B:LEU367 4.9 16.6 1.0
CA B:PHE364 4.9 20.1 1.0
C8 B:NTD550 5.0 22.3 1.0

Reference:

J.Brownlee, K.Johnson-Winters, D.H.T.Harrison, G.R.Moran. Structure of the Ferrous Form of (4-Hydroxyphenyl)Pyruvate Dioxygenase From Streptomyces Avermitilis in Complex with the Therapeutic Herbicide, Ntbc Biochemistry V. 43 6370 2004.
ISSN: ISSN 0006-2960
PubMed: 15157070
DOI: 10.1021/BI049317S
Page generated: Wed Jul 31 12:54:48 2024

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