Chlorine in PDB 4b10: Plasmodium Vivax N-Myristoyltransferase with A Non- Hydrolysable Co-Factor

All present enzymatic activity of Plasmodium Vivax N-Myristoyltransferase with A Non- Hydrolysable Co-Factor:
2.3.1.97;

The structure of Plasmodium Vivax N-Myristoyltransferase with A Non- Hydrolysable Co-Factor, PDB code: 4b10 was solved by Z.Yu, J.A.Brannigan, D.K.Moss, A.M.Brzozowski, A.J.Wilkinson, A.A.Holder, E.W.Tate, R.J.Leatherbarrow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.83 / 1.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.370, 119.060, 176.400, 90.00, 90.00, 90.00
R / Rfree (%)	18.811 / 23.83

The structure of Plasmodium Vivax N-Myristoyltransferase with A Non- Hydrolysable Co-Factor also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Plasmodium Vivax N-Myristoyltransferase with A Non- Hydrolysable Co-Factor (pdb code 4b10). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Plasmodium Vivax N-Myristoyltransferase with A Non- Hydrolysable Co-Factor, PDB code: 4b10:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Plasmodium Vivax N-Myristoyltransferase with A Non- Hydrolysable Co-Factor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Plasmodium Vivax N-Myristoyltransferase with A Non- Hydrolysable Co-Factor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1411 b:9.4 occ:1.00 O A:HOH2087 3.1 10.0 1.0 NZ A:LYS180 3.3 6.7 1.0 CE2 A:TYR65 3.9 8.2 1.0 CD A:LYS180 3.9 5.6 1.0 CE A:LYS180 4.0 6.2 1.0 OH A:TYR65 4.6 7.9 1.0 CD2 A:TYR65 4.6 8.3 1.0 CZ A:TYR65 4.8 8.0 1.0

Chlorine binding site 2 out of 3 in the Plasmodium Vivax N-Myristoyltransferase with A Non- Hydrolysable Co-Factor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Plasmodium Vivax N-Myristoyltransferase with A Non- Hydrolysable Co-Factor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1412 b:8.6 occ:1.00 NZ B:LYS180 3.3 9.5 1.0 CE2 B:TYR65 3.7 7.3 1.0 CD B:LYS180 4.0 8.1 1.0 CE B:LYS180 4.0 8.5 1.0 CD2 B:TYR65 4.4 7.5 1.0 OH B:TYR65 4.4 9.0 1.0 CZ B:TYR65 4.6 7.6 1.0

Chlorine binding site 3 out of 3 in the Plasmodium Vivax N-Myristoyltransferase with A Non- Hydrolysable Co-Factor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Plasmodium Vivax N-Myristoyltransferase with A Non- Hydrolysable Co-Factor within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1411 b:9.0 occ:1.00 NZ C:LYS180 3.3 7.0 1.0 CE2 C:TYR65 3.7 7.9 1.0 CD C:LYS180 3.9 5.8 1.0 CE C:LYS180 4.2 5.9 1.0 CD2 C:TYR65 4.5 7.7 1.0 OH C:TYR65 4.6 8.8 1.0 CZ C:TYR65 4.6 7.8 1.0

Z.Yu, J.A.Brannigan, D.K.Moss, A.M.Brzozowski, A.J.Wilkinson, A.A.Holder, E.W.Tate, R.J.Leatherbarrow. Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, A Promising Target For Anti- Malarial Drug Discovery. J.Med.Chem. V. 55 8879 2012.
ISSN: ISSN 0022-2623
PubMed: 23035716
DOI: 10.1021/JM301160H