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Chlorine in PDB 1xiv: Plasmodium Falciparum Lactate Dehydrogenase Complexed with 2-({4- Chloro-[Hydroxy(Methoxy)Methyl]Cyclohexyl}Amino)Ethane-1,1,2-Triol

Enzymatic activity of Plasmodium Falciparum Lactate Dehydrogenase Complexed with 2-({4- Chloro-[Hydroxy(Methoxy)Methyl]Cyclohexyl}Amino)Ethane-1,1,2-Triol

All present enzymatic activity of Plasmodium Falciparum Lactate Dehydrogenase Complexed with 2-({4- Chloro-[Hydroxy(Methoxy)Methyl]Cyclohexyl}Amino)Ethane-1,1,2-Triol:
1.1.1.27;

Protein crystallography data

The structure of Plasmodium Falciparum Lactate Dehydrogenase Complexed with 2-({4- Chloro-[Hydroxy(Methoxy)Methyl]Cyclohexyl}Amino)Ethane-1,1,2-Triol, PDB code: 1xiv was solved by R.Conners, A.Cameron, J.A.Read, F.Schambach, R.B.Sessions, R.L.Brady, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.36 / 1.70
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 80.568, 85.393, 92.263, 90.00, 90.00, 90.00
R / Rfree (%) 14.4 / 17.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Plasmodium Falciparum Lactate Dehydrogenase Complexed with 2-({4- Chloro-[Hydroxy(Methoxy)Methyl]Cyclohexyl}Amino)Ethane-1,1,2-Triol (pdb code 1xiv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Plasmodium Falciparum Lactate Dehydrogenase Complexed with 2-({4- Chloro-[Hydroxy(Methoxy)Methyl]Cyclohexyl}Amino)Ethane-1,1,2-Triol, PDB code: 1xiv:

Chlorine binding site 1 out of 1 in 1xiv

Go back to Chlorine Binding Sites List in 1xiv
Chlorine binding site 1 out of 1 in the Plasmodium Falciparum Lactate Dehydrogenase Complexed with 2-({4- Chloro-[Hydroxy(Methoxy)Methyl]Cyclohexyl}Amino)Ethane-1,1,2-Triol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Plasmodium Falciparum Lactate Dehydrogenase Complexed with 2-({4- Chloro-[Hydroxy(Methoxy)Methyl]Cyclohexyl}Amino)Ethane-1,1,2-Triol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl500

b:36.1
occ:1.00
 CL A:RB2500 0.0 36.1 1.0
C3 A:RB2500 1.8 38.1 1.0
C4 A:RB2500 2.7 39.4 1.0
C2 A:RB2500 2.8 37.9 1.0
CB A:ALA98 3.4 15.2 1.0
N A:GLY27 3.5 13.1 1.0
CE2 A:PHE52 3.6 18.5 1.0
CD2 A:PHE52 3.6 15.8 1.0
CA A:GLY27 3.8 13.6 1.0
CG1 A:VAL26 3.8 11.2 1.0
C A:VAL26 3.9 13.5 1.0
CA A:ASP53 4.0 16.2 1.0
C5 A:RB2500 4.0 40.4 1.0
C1 A:RB2500 4.1 38.8 1.0
O A:PHE52 4.2 13.2 1.0
N A:ILE54 4.3 17.4 1.0
O A:VAL26 4.3 12.5 1.0
CG A:ASP53 4.4 19.1 1.0
CA A:ALA98 4.5 15.1 1.0
C A:ASP53 4.5 16.4 1.0
OD1 A:ASP53 4.5 22.4 1.0
CA A:VAL26 4.6 12.3 1.0
OD2 A:ASP53 4.6 18.5 1.0
C6 A:RB2500 4.6 39.7 1.0
N A:ASP53 4.7 15.2 1.0
C A:PHE52 4.7 13.8 1.0
CB A:ASP53 4.8 16.1 1.0
CG2 A:ILE54 4.8 20.2 1.0
CB A:VAL26 4.8 12.1 1.0
CZ A:PHE52 4.9 18.4 1.0
OH A:TYR85 4.9 29.5 1.0
CG A:PHE52 5.0 14.4 1.0

Reference:

R.Conners, F.Schambach, J.A.Read, A.Cameron, R.B.Sessions, L.Vivas, A.Easton, S.L.Croft, R.L.Brady. Mapping the Binding Site For Gossypol-Like Inhibitors of Plasmodium Falciparum Lactate Dehydrogenase Mol.Biochem.Parasitol. V. 142 137 2005.
ISSN: ISSN 0166-6851
PubMed: 15978953
DOI: 10.1016/J.MOLBIOPARA.2005.03.015
Page generated: Sat Dec 12 08:54:35 2020

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