Chlorine in PDB 2qkn: Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase Complexed with Phenylurea Inhibitor Cppu

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

The structure of Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase Complexed with Phenylurea Inhibitor Cppu, PDB code: 2qkn was solved by P.Briozzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	249.544, 50.523, 51.257, 90.00, 94.01, 90.00
R / Rfree (%)	19.1 / 23.1

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

Chlorine binding site 1 out of 2 in the Crystal Structure 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 Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase Complexed with Phenylurea Inhibitor Cppu within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1536 b:28.9 occ:0.50 CL7 A:2451536 0.0 28.9 0.5 C12 A:2451537 1.6 28.6 0.5 C7 A:2451536 1.7 29.1 0.5 C13 A:2451537 2.6 29.4 0.5 N6 A:2451536 2.7 30.5 0.5 C11 A:2451537 2.7 26.5 0.5 C8 A:2451536 2.7 27.2 0.5 O A:HOH1767 3.7 50.7 1.0 C14 A:2451537 3.9 27.9 0.5 C5 A:2451536 3.9 28.2 0.5 C10 A:2451537 3.9 24.7 0.5 CZ3 A:TRP391 4.0 47.2 1.0 C3 A:2451536 4.0 25.1 0.5 C7M A:FAD1535 4.1 23.8 1.0 CG1 A:VAL378 4.2 42.4 1.0 CH2 A:TRP391 4.2 47.0 1.0 CZ2 A:TRP397 4.3 23.0 1.0 CH2 A:TRP397 4.4 22.6 1.0 C15 A:2451537 4.4 27.3 0.5 C4 A:2451536 4.5 27.7 0.5 OE2 A:GLU381 4.5 66.1 1.0 O1 A:2451536 4.6 21.1 0.5 O1 A:2451537 4.6 21.1 0.5 CD1 A:LEU458 4.9 23.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure 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 Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase Complexed with Phenylurea Inhibitor Cppu within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1537 b:17.5 occ:0.50 CL7 A:2451537 0.0 17.5 0.5 C12 A:2451536 1.6 14.7 0.5 C7 A:2451537 1.7 15.2 0.5 C13 A:2451536 2.5 16.0 0.5 C11 A:2451536 2.6 16.0 0.5 N6 A:2451537 2.7 17.6 0.5 C8 A:2451537 2.7 17.0 0.5 CD1 A:LEU492 2.8 26.0 1.0 CZ3 A:TRP397 3.1 24.4 1.0 CE3 A:TRP397 3.2 23.9 1.0 N10 A:FAD1535 3.6 21.8 1.0 ND2 A:ASN399 3.7 22.1 1.0 C9A A:FAD1535 3.8 21.3 1.0 C14 A:2451536 3.8 15.4 0.5 C10 A:FAD1535 3.8 22.4 1.0 C1' A:FAD1535 3.8 22.1 1.0 C10 A:2451536 3.8 17.2 0.5 C5 A:2451537 3.9 15.9 0.5 C3 A:2451537 4.0 17.4 0.5 OD1 A:ASN399 4.0 25.5 1.0 C5X A:FAD1535 4.1 21.7 1.0 CG A:ASN399 4.1 24.9 1.0 C4X A:FAD1535 4.1 20.6 1.0 N5 A:FAD1535 4.3 21.8 1.0 C15 A:2451536 4.3 17.4 0.5 CG A:LEU492 4.4 25.2 1.0 CH2 A:TRP397 4.4 22.6 1.0 C9 A:FAD1535 4.4 18.1 1.0 N1 A:FAD1535 4.4 23.2 1.0 C4 A:2451537 4.5 18.1 0.5 O1 A:2451536 4.5 21.1 0.5 CD2 A:TRP397 4.5 22.0 1.0 O1 A:2451537 4.6 21.1 0.5 CD2 A:LEU458 4.6 24.2 1.0 O A:HOH1656 4.7 21.2 1.0 C6 A:FAD1535 4.9 21.1 1.0 CD1 A:LEU107 4.9 23.1 1.0 N9 A:2451536 4.9 20.2 0.5 C4 A:FAD1535 5.0 20.9 1.0

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