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

Enzymatic activity of Crystal Structure of Maize Cytokinin Oxidase/Dehydrogenase 4 (Cko/CKX4) in Complex with Inhibitor 2-[(3,5-Dichlorophenyl) Carbamoylamino]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]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]Benzamide, PDB code: 8ckq 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) 49.19 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.47, 79.47, 203.57, 90, 90, 90
R / Rfree (%) 19.6 / 21.9

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]Benzamide (pdb code 8ckq). 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]Benzamide, PDB code: 8ckq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8ckq

Go back to Chlorine Binding Sites List in 8ckq
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]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]Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:46.4
occ:1.00
 CLAD A:UZX602 0.0 46.4 1.0
CAQ A:UZX602 1.8 39.7 1.0
CAJ A:UZX602 2.7 36.8 1.0
CAK A:UZX602 2.8 36.6 1.0
N10 A:FAD601 3.6 37.0 1.0
ND2 A:ASN391 3.6 36.4 1.0
C1' A:FAD601 3.6 37.7 1.0
C9A A:FAD601 3.6 35.5 1.0
CE3 A:TRP389 3.6 41.9 1.0
CD1 A:LEU488 3.6 38.0 1.0
O A:HOH744 3.7 39.7 1.0
C9 A:FAD601 3.8 35.8 1.0
CAR A:UZX602 4.0 39.7 1.0
CAS A:UZX602 4.1 38.4 1.0
CZ3 A:TRP389 4.1 43.6 1.0
C10 A:FAD601 4.2 37.6 1.0
C5X A:FAD601 4.3 34.4 1.0
CG A:ASN391 4.4 43.1 1.0
OD1 A:ASN391 4.4 40.6 1.0
CD2 A:LEU452 4.5 41.1 1.0
C8 A:FAD601 4.5 36.7 1.0
CAL A:UZX602 4.6 37.9 1.0
CD2 A:TRP389 4.8 41.4 1.0
C4X A:FAD601 4.8 36.9 1.0
N1 A:FAD601 4.8 35.8 1.0
N5 A:FAD601 4.9 37.7 1.0
CB A:TRP389 4.9 39.6 1.0
CG1 A:ILE102 4.9 39.7 1.0
C6 A:FAD601 4.9 34.4 1.0

Chlorine binding site 2 out of 2 in 8ckq

Go back to Chlorine Binding Sites List in 8ckq
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]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]Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:45.1
occ:1.00
 CLAE A:UZX602 0.0 45.1 1.0
CAR A:UZX602 1.8 39.7 1.0
CAL A:UZX602 2.7 37.9 1.0
CAJ A:UZX602 2.7 36.8 1.0
CD2 A:LEU448 3.4 42.9 1.0
CG1 A:ILE185 3.5 39.6 1.0
CD1 A:ILE185 3.6 40.5 1.0
N3 A:FAD601 3.6 33.7 1.0
CE2 A:TYR487 3.7 32.0 1.0
O A:HOH707 3.8 40.6 1.0
CD1 A:LEU448 3.8 41.8 1.0
C2 A:FAD601 3.8 34.2 1.0
CD2 A:TYR487 3.9 33.0 1.0
CAS A:UZX602 4.0 38.4 1.0
CAQ A:UZX602 4.0 39.7 1.0
C4 A:FAD601 4.1 35.6 1.0
O2 A:FAD601 4.1 35.9 1.0
OD1 A:ASN391 4.2 40.6 1.0
CG A:LEU448 4.2 42.2 1.0
N1 A:FAD601 4.4 35.8 1.0
O4 A:FAD601 4.5 39.8 1.0
CAK A:UZX602 4.5 36.6 1.0
O A:ILE185 4.7 39.1 1.0
OH A:TYR425 4.7 38.8 1.0
C4X A:FAD601 4.7 36.9 1.0
C10 A:FAD601 4.7 37.6 1.0
CG A:ASN391 4.7 43.1 1.0
CZ A:TYR487 4.9 38.7 1.0
CB A:ILE185 5.0 38.6 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: Tue Jul 30 08:01:42 2024

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