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Chlorine in PDB 8clw: Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (Cko/CKX4) in Complex with Inhibitor 2-[(3,5-Dichlorophenyl) Carbamoylamino]-4-Methoxy-Benzamide

Enzymatic activity of Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (Cko/CKX4) in Complex with Inhibitor 2-[(3,5-Dichlorophenyl) Carbamoylamino]-4-Methoxy-Benzamide

All present enzymatic activity of Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (Cko/CKX4) in Complex with Inhibitor 2-[(3,5-Dichlorophenyl) Carbamoylamino]-4-Methoxy-Benzamide:
1.5.99.12;

Protein crystallography data

The structure of Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (Cko/CKX4) in Complex with Inhibitor 2-[(3,5-Dichlorophenyl) Carbamoylamino]-4-Methoxy-Benzamide, PDB code: 8clw was solved by D.Kopecny, P.Briozzo, S.Morera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.28 / 1.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.56, 79.56, 203.26, 90, 90, 90
R / Rfree (%) 19.5 / 22.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (Cko/CKX4) in Complex with Inhibitor 2-[(3,5-Dichlorophenyl) Carbamoylamino]-4-Methoxy-Benzamide (pdb code 8clw). 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 4 (Cko/CKX4) in Complex with Inhibitor 2-[(3,5-Dichlorophenyl) Carbamoylamino]-4-Methoxy-Benzamide, PDB code: 8clw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8clw

Go back to Chlorine Binding Sites List in 8clw
Chlorine binding site 1 out of 2 in the Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (Cko/CKX4) in Complex with Inhibitor 2-[(3,5-Dichlorophenyl) Carbamoylamino]-4-Methoxy-Benzamide


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 4 (Cko/CKX4) in Complex with Inhibitor 2-[(3,5-Dichlorophenyl) Carbamoylamino]-4-Methoxy-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:33.0
occ:1.00
 CLAE A:UZ3602 0.0 33.0 1.0
CAR A:UZ3602 1.8 31.1 1.0
CAI A:UZ3602 2.7 31.0 1.0
CAJ A:UZ3602 2.7 29.6 1.0
N10 A:FAD601 3.5 29.9 1.0
C9A A:FAD601 3.6 29.5 1.0
C1' A:FAD601 3.6 31.8 1.0
CE3 A:TRP389 3.6 34.0 1.0
ND2 A:ASN391 3.6 32.8 1.0
CD1 A:LEU488 3.6 32.7 1.0
C9 A:FAD601 3.8 29.8 1.0
O A:HOH742 3.8 31.7 1.0
CAS A:UZ3602 4.0 29.8 1.0
CAT A:UZ3602 4.0 30.0 1.0
CZ3 A:TRP389 4.1 35.5 1.0
C10 A:FAD601 4.2 30.3 1.0
C5X A:FAD601 4.2 29.1 1.0
CG A:ASN391 4.4 34.6 1.0
OD1 A:ASN391 4.4 31.6 1.0
CD2 A:LEU452 4.4 31.3 1.0
C8 A:FAD601 4.5 31.0 1.0
CAK A:UZ3602 4.5 28.0 1.0
C4X A:FAD601 4.7 29.8 1.0
CD2 A:TRP389 4.7 32.5 1.0
N5 A:FAD601 4.8 28.9 1.0
N1 A:FAD601 4.8 27.5 1.0
CB A:TRP389 4.9 30.9 1.0
C6 A:FAD601 4.9 27.3 1.0
CG1 A:ILE102 4.9 31.0 1.0
OAD A:UZ3602 5.0 32.7 1.0

Chlorine binding site 2 out of 2 in 8clw

Go back to Chlorine Binding Sites List in 8clw
Chlorine binding site 2 out of 2 in the Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (Cko/CKX4) in Complex with Inhibitor 2-[(3,5-Dichlorophenyl) Carbamoylamino]-4-Methoxy-Benzamide


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 4 (Cko/CKX4) in Complex with Inhibitor 2-[(3,5-Dichlorophenyl) Carbamoylamino]-4-Methoxy-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:32.2
occ:1.00
 CLAF A:UZ3602 0.0 32.2 1.0
CAS A:UZ3602 1.7 29.8 1.0
CAK A:UZ3602 2.7 28.0 1.0
CAI A:UZ3602 2.7 31.0 1.0
CG1 A:ILE185 3.5 30.5 1.0
CD2 A:LEU448 3.5 35.8 1.0
CD1 A:ILE185 3.6 32.7 1.0
CE2 A:TYR487 3.6 27.7 1.0
N3 A:FAD601 3.6 26.7 1.0
O A:HOH715 3.8 33.0 1.0
CD1 A:LEU448 3.8 34.9 1.0
C2 A:FAD601 3.8 28.6 1.0
CD2 A:TYR487 3.8 27.8 1.0
CAT A:UZ3602 4.0 30.0 1.0
CAR A:UZ3602 4.0 31.1 1.0
OD1 A:ASN391 4.1 31.6 1.0
O2 A:FAD601 4.1 28.0 1.0
C4 A:FAD601 4.1 28.9 1.0
CG A:LEU448 4.2 35.5 1.0
N1 A:FAD601 4.4 27.5 1.0
CAJ A:UZ3602 4.5 29.6 1.0
O4 A:FAD601 4.5 29.6 1.0
O A:ILE185 4.6 30.2 1.0
CG A:ASN391 4.7 34.6 1.0
C4X A:FAD601 4.7 29.8 1.0
C10 A:FAD601 4.7 30.3 1.0
OH A:TYR425 4.7 30.3 1.0
CZ A:TYR487 4.8 30.1 1.0
CB A:ILE185 5.0 30.7 1.0

Reference:

J.Nisler, R.Koncitikova, P.Klimes, A.Kadlecova, N.Murvanidze, D.Kopecny, S.P.O.Werbrouck, N.De Diego, L.Havlicek, P.Briozzo, S.Morera, D.Zalabak, L.Spichal. Cytokinin Oxidase/Dehydrogenase Inhibitors: Progress Toward A Practice To Be Published.
Page generated: Sun Jul 13 10:14:49 2025

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