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Fluorine in PDB 5hmr: Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (ZMCKO4) in Complex with Phenylurea Inhibitor 3FMTDZ

Enzymatic activity of Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (ZMCKO4) in Complex with Phenylurea Inhibitor 3FMTDZ

All present enzymatic activity of Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (ZMCKO4) in Complex with Phenylurea Inhibitor 3FMTDZ:
1.5.99.12;

Protein crystallography data

The structure of Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (ZMCKO4) in Complex with Phenylurea Inhibitor 3FMTDZ, PDB code: 5hmr was solved by D.Kopecny, R.Koncitikova, P.Briozzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.28 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.720, 79.720, 203.690, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 20.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (ZMCKO4) in Complex with Phenylurea Inhibitor 3FMTDZ (pdb code 5hmr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (ZMCKO4) in Complex with Phenylurea Inhibitor 3FMTDZ, PDB code: 5hmr:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 5hmr

Go back to Fluorine Binding Sites List in 5hmr
Fluorine binding site 1 out of 3 in the Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (ZMCKO4) in Complex with Phenylurea Inhibitor 3FMTDZ


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (ZMCKO4) in Complex with Phenylurea Inhibitor 3FMTDZ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:64.0
occ:1.00
 F09 A:FDZ602 0.0 64.0 1.0
C08 A:FDZ602 1.3 60.8 1.0
F10 A:FDZ602 2.2 59.4 1.0
F11 A:FDZ602 2.2 63.9 1.0
O07 A:FDZ602 2.2 55.2 1.0
C05 A:FDZ602 2.9 48.0 1.0
C06 A:FDZ602 3.0 44.1 1.0
CD1 A:LEU377 4.0 59.5 1.0
CG1 A:VAL370 4.1 41.6 1.0
C04 A:FDZ602 4.3 42.7 1.0
C01 A:FDZ602 4.3 42.0 1.0
CZ3 A:TRP383 4.3 45.7 1.0
CB A:ALA373 4.4 52.6 1.0

Fluorine binding site 2 out of 3 in 5hmr

Go back to Fluorine Binding Sites List in 5hmr
Fluorine binding site 2 out of 3 in the Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (ZMCKO4) in Complex with Phenylurea Inhibitor 3FMTDZ


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (ZMCKO4) in Complex with Phenylurea Inhibitor 3FMTDZ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:59.4
occ:1.00
 F10 A:FDZ602 0.0 59.4 1.0
C08 A:FDZ602 1.3 60.8 1.0
F11 A:FDZ602 2.2 63.9 1.0
F09 A:FDZ602 2.2 64.0 1.0
O07 A:FDZ602 2.2 55.2 1.0
CZ3 A:TRP383 3.4 45.7 1.0
C05 A:FDZ602 3.5 48.0 1.0
CZ2 A:TRP389 3.7 40.9 1.0
CH2 A:TRP389 3.8 40.3 1.0
CH2 A:TRP383 4.0 45.4 1.0
CZ A:PHE57 4.2 36.7 1.0
C06 A:FDZ602 4.3 44.1 1.0
CE3 A:TRP383 4.4 45.6 1.0
CD1 A:LEU377 4.4 59.5 1.0
C7M A:FAD601 4.4 33.4 1.0
C04 A:FDZ602 4.5 42.7 1.0
O A:HOH715 4.7 50.1 1.0

Fluorine binding site 3 out of 3 in 5hmr

Go back to Fluorine Binding Sites List in 5hmr
Fluorine binding site 3 out of 3 in the Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (ZMCKO4) in Complex with Phenylurea Inhibitor 3FMTDZ


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (ZMCKO4) in Complex with Phenylurea Inhibitor 3FMTDZ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:63.9
occ:1.00
 F11 A:FDZ602 0.0 63.9 1.0
C08 A:FDZ602 1.3 60.8 1.0
F10 A:FDZ602 2.2 59.4 1.0
F09 A:FDZ602 2.2 64.0 1.0
O07 A:FDZ602 2.2 55.2 1.0
C05 A:FDZ602 2.8 48.0 1.0
C06 A:FDZ602 3.2 44.1 1.0
C04 A:FDZ602 3.8 42.7 1.0
CZ2 A:TRP389 3.9 40.9 1.0
CG A:PRO421 4.0 62.3 1.0
CD A:PRO421 4.0 58.7 1.0
CH2 A:TRP389 4.1 40.3 1.0
C01 A:FDZ602 4.4 42.0 1.0
O A:LEU452 4.8 42.9 1.0
C03 A:FDZ602 4.9 37.4 1.0
CB A:LEU452 4.9 38.6 1.0

Reference:

J.Nisler, D.Kopecny, R.Koncitikova, M.Zatloukal, V.Bazgier, K.Berka, D.Zalabak, P.Briozzo, M.Strnad, L.Spichal. Novel Thidiazuron-Derived Inhibitors of Cytokinin Oxidase/Dehydrogenase. Plant Mol.Biol. V. 92 235 2016.
ISSN: ISSN 0167-4412
PubMed: 27422623
DOI: 10.1007/S11103-016-0509-0
Page generated: Thu Aug 1 09:55:20 2024

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