Chlorine in PDB 8ck6: Crystal Structure of Maize Cko/CKX8 in Complex with Urea-Derived Inhibitor 2-[(3,5-Dichlorophenyl)Carbamoylamino]-4-Methoxy-Benzamide

Enzymatic activity of Crystal Structure of Maize Cko/CKX8 in Complex with Urea-Derived Inhibitor 2-[(3,5-Dichlorophenyl)Carbamoylamino]-4-Methoxy-Benzamide

All present enzymatic activity of Crystal Structure of Maize Cko/CKX8 in Complex with Urea-Derived Inhibitor 2-[(3,5-Dichlorophenyl)Carbamoylamino]-4-Methoxy-Benzamide:
1.5.99.12;

Protein crystallography data

The structure of Crystal Structure of Maize Cko/CKX8 in Complex with Urea-Derived Inhibitor 2-[(3,5-Dichlorophenyl)Carbamoylamino]-4-Methoxy-Benzamide, PDB code: 8ck6 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) 44.04 / 1.90
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 101.7, 101.7, 128.08, 90, 90, 120
R / Rfree (%) 17.4 / 20.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Maize Cko/CKX8 in Complex with Urea-Derived Inhibitor 2-[(3,5-Dichlorophenyl)Carbamoylamino]-4-Methoxy-Benzamide (pdb code 8ck6). 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 Cko/CKX8 in Complex with Urea-Derived Inhibitor 2-[(3,5-Dichlorophenyl)Carbamoylamino]-4-Methoxy-Benzamide, PDB code: 8ck6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8ck6

Go back to Chlorine Binding Sites List in 8ck6
Chlorine binding site 1 out of 2 in the Crystal Structure of Maize Cko/CKX8 in Complex with Urea-Derived 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 Cko/CKX8 in Complex with Urea-Derived Inhibitor 2-[(3,5-Dichlorophenyl)Carbamoylamino]-4-Methoxy-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl608

b:31.2
occ:1.00
 CLAE A:UZ3608 0.0 31.2 1.0
CAR A:UZ3608 1.7 27.1 1.0
CAI A:UZ3608 2.7 26.7 1.0
CAJ A:UZ3608 2.7 24.9 1.0
CH2 A:TRP105 3.1 31.5 1.0
CD1 A:LEU487 3.5 32.3 1.0
CE3 A:TRP388 3.5 25.7 1.0
CZ3 A:TRP388 3.5 27.2 1.0
N10 A:FAD607 3.6 27.2 1.0
CZ3 A:TRP105 3.6 30.8 1.0
C9A A:FAD607 3.7 24.4 1.0
OD1 A:ASN390 3.8 28.7 1.0
C1' A:FAD607 3.8 27.7 1.0
CZ2 A:TRP105 3.9 31.3 1.0
CAS A:UZ3608 3.9 28.7 1.0
CAT A:UZ3608 4.0 27.6 1.0
C10 A:FAD607 4.0 26.0 1.0
C9 A:FAD607 4.0 23.8 1.0
CD2 A:LEU453 4.0 27.5 1.0
ND2 A:ASN390 4.1 27.6 1.0
C5X A:FAD607 4.2 24.4 1.0
CG A:ASN390 4.3 37.0 1.0
CAK A:UZ3608 4.5 27.9 1.0
C4X A:FAD607 4.5 25.0 1.0
N1 A:FAD607 4.6 24.0 1.0
N5 A:FAD607 4.6 26.0 1.0
CD2 A:TRP388 4.7 24.4 1.0
C8 A:FAD607 4.8 25.7 1.0
CE3 A:TRP105 4.8 29.3 1.0
CH2 A:TRP388 4.8 27.4 1.0
C6 A:FAD607 4.9 25.2 1.0
CG A:LEU487 4.9 32.8 1.0
OAD A:UZ3608 5.0 28.6 1.0

Chlorine binding site 2 out of 2 in 8ck6

Go back to Chlorine Binding Sites List in 8ck6
Chlorine binding site 2 out of 2 in the Crystal Structure of Maize Cko/CKX8 in Complex with Urea-Derived 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 Cko/CKX8 in Complex with Urea-Derived Inhibitor 2-[(3,5-Dichlorophenyl)Carbamoylamino]-4-Methoxy-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl608

b:31.8
occ:1.00
 CLAF A:UZ3608 0.0 31.8 1.0
CAS A:UZ3608 1.8 28.7 1.0
CAK A:UZ3608 2.7 27.9 1.0
CAI A:UZ3608 2.7 26.7 1.0
CD1 A:ILE182 3.3 32.2 1.0
O A:HOH773 3.4 32.0 1.0
CG1 A:ILE182 3.4 25.5 1.0
OG A:SER451 3.7 32.6 1.0
O A:HOH917 3.8 43.9 1.0
N3 A:FAD607 3.9 22.3 1.0
OH A:TYR422 3.9 28.1 1.0
CAR A:UZ3608 4.0 27.1 1.0
CAT A:UZ3608 4.0 27.6 1.0
C4 A:FAD607 4.2 23.5 1.0
O4 A:FAD607 4.3 25.2 1.0
C2 A:FAD607 4.4 23.7 1.0
CE2 A:TYR486 4.4 28.6 1.0
CAJ A:UZ3608 4.5 24.9 1.0
OD1 A:ASN390 4.5 28.7 1.0
CD2 A:TYR486 4.6 28.4 1.0
O A:HOH1002 4.6 47.0 1.0
CD1 A:LEU420 4.8 31.9 1.0
CZ A:TYR422 4.8 30.6 1.0
CB A:SER451 4.8 27.1 1.0
O2 A:FAD607 4.8 25.8 1.0
O A:ILE182 4.8 26.5 1.0
CB A:ILE182 4.9 25.9 1.0
C4X A:FAD607 4.9 25.0 1.0
CE1 A:TYR422 4.9 24.3 1.0
N1 A:FAD607 5.0 24.0 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 08:00:44 2024

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