Chlorine in PDB 3kjm: LEU492ALA Mutant of Maize Cytokinin Oxidase/Dehydrogenase Complexed with Phenylurea Inhibitor Cppu

All present enzymatic activity of LEU492ALA Mutant of Maize Cytokinin Oxidase/Dehydrogenase Complexed with Phenylurea Inhibitor Cppu:
1.5.99.12;

The structure of LEU492ALA Mutant of Maize Cytokinin Oxidase/Dehydrogenase Complexed with Phenylurea Inhibitor Cppu, PDB code: 3kjm was solved by D.Kopecny, P.Briozzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	248.960, 50.460, 50.770, 90.00, 93.66, 90.00
R / Rfree (%)	21.7 / 25.5

The binding sites of Chlorine atom in the LEU492ALA Mutant of Maize Cytokinin Oxidase/Dehydrogenase Complexed with Phenylurea Inhibitor Cppu (pdb code 3kjm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the LEU492ALA Mutant of Maize Cytokinin Oxidase/Dehydrogenase Complexed with Phenylurea Inhibitor Cppu, PDB code: 3kjm:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the LEU492ALA Mutant of Maize Cytokinin Oxidase/Dehydrogenase Complexed with Phenylurea Inhibitor Cppu


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of LEU492ALA Mutant of Maize Cytokinin Oxidase/Dehydrogenase Complexed with Phenylurea Inhibitor Cppu within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:17.4 occ:0.50 CL7 A:245601 0.0 17.4 0.5 C12 A:245601 1.3 29.8 0.5 C7 A:245601 1.7 15.2 0.5 C13 A:245601 1.8 29.7 0.5 C11 A:245601 2.6 29.7 0.5 N6 A:245601 2.6 15.4 0.5 C8 A:245601 2.7 14.7 0.5 C14 A:245601 3.2 30.0 0.5 C1' A:FAD600 3.4 18.2 1.0 ND2 A:ASN399 3.4 19.3 1.0 O A:HOH5 3.5 19.2 1.0 N10 A:FAD600 3.7 18.5 1.0 C10 A:245601 3.7 30.0 0.5 CE3 A:TRP397 3.8 16.0 1.0 C9A A:FAD600 3.9 17.7 1.0 C5 A:245601 3.9 13.6 0.5 C15 A:245601 3.9 29.7 0.5 CG A:ASN399 4.0 18.1 1.0 C3 A:245601 4.0 13.7 0.5 CD1 A:LEU107 4.0 21.5 1.0 CZ3 A:TRP397 4.1 16.0 1.0 C9 A:FAD600 4.1 17.0 1.0 OD1 A:ASN399 4.2 19.9 1.0 C10 A:FAD600 4.2 17.7 1.0 CB A:ALA492 4.3 21.8 1.0 C4 A:245601 4.5 13.5 0.5 C5X A:FAD600 4.5 17.2 1.0 CG A:LEU107 4.6 21.9 1.0 N1 A:FAD600 4.7 17.2 1.0 O1 A:245601 4.7 30.9 0.5 C4X A:FAD600 4.8 16.8 1.0 C2' A:FAD600 4.8 20.0 1.0 CD2 A:LEU107 4.9 22.7 1.0 C8 A:FAD600 4.9 17.9 1.0 N5 A:FAD600 4.9 17.0 1.0 N9 A:245601 4.9 30.1 0.5 O1 A:245601 5.0 14.1 0.5

Chlorine binding site 2 out of 2 in the LEU492ALA Mutant of Maize Cytokinin Oxidase/Dehydrogenase Complexed with Phenylurea Inhibitor Cppu


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of LEU492ALA Mutant of Maize Cytokinin Oxidase/Dehydrogenase Complexed with Phenylurea Inhibitor Cppu within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:34.0 occ:0.50 CL7 A:245601 0.0 34.0 0.5 C7 A:245601 1.7 32.6 0.5 C14 A:245601 2.1 12.8 0.5 C15 A:245601 2.6 13.4 0.5 N6 A:245601 2.6 32.2 0.5 C8 A:245601 2.7 32.1 0.5 C13 A:245601 3.3 12.9 0.5 CD2 A:LEU388 3.6 31.9 1.0 CD2 A:LEU390 3.7 29.9 1.0 CH2 A:TRP397 3.8 16.5 1.0 CG1 A:VAL378 3.8 28.4 1.0 C5 A:245601 3.9 32.2 0.5 C7M A:FAD600 3.9 18.1 1.0 C10 A:245601 4.0 13.1 0.5 C3 A:245601 4.0 31.7 0.5 O A:HOH689 4.0 28.1 1.0 CD1 A:LEU390 4.0 29.6 1.0 CZ2 A:TRP397 4.1 16.9 1.0 O1 A:245601 4.4 14.1 0.5 C12 A:245601 4.4 13.2 0.5 C4 A:245601 4.4 31.8 0.5 CG A:LEU390 4.5 30.0 1.0 O1 A:245601 4.6 30.9 0.5 C11 A:245601 4.7 13.4 0.5 C6 A:FAD600 4.8 17.0 1.0 C7 A:FAD600 4.8 17.4 1.0 CZ3 A:TRP397 4.9 16.0 1.0 CG A:LEU388 4.9 32.6 1.0 O3 A:GOL537 4.9 57.7 1.0 N9 A:245601 4.9 13.3 0.5

D.Kopecny, P.Briozzo, H.Popelkova, M.Sebela, R.Koncitikova, L.Spichal, J.Nisler, C.Madzak, I.Frebort, M.Laloue, N.Houba-Herin. Phenyl- and Benzylurea Cytokinins As Competitive Inhibitors of Cytokinin Oxidase/Dehydrogenase: A Structural Study. Biochimie V. 92 1052 2010.
ISSN: ISSN 0300-9084
PubMed: 20478354
DOI: 10.1016/J.BIOCHI.2010.05.006