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Chlorine in PDB 5a28: Leishmania Major N-Myristoyltransferase in Complex with A Chlorophenyl 1,3,4-Oxadiazole Inhibitor.

Enzymatic activity of Leishmania Major N-Myristoyltransferase in Complex with A Chlorophenyl 1,3,4-Oxadiazole Inhibitor.

All present enzymatic activity of Leishmania Major N-Myristoyltransferase in Complex with A Chlorophenyl 1,3,4-Oxadiazole Inhibitor.:
2.3.1.97;

Protein crystallography data

The structure of Leishmania Major N-Myristoyltransferase in Complex with A Chlorophenyl 1,3,4-Oxadiazole Inhibitor., PDB code: 5a28 was solved by M.D.Rackham, Z.Yu, J.A.Brannigan, W.P.Heal, D.Paape, K.V.Barker, A.J.Wilkinson, D.F.Smith, 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) 48.92 / 1.48
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.447, 92.161, 53.461, 90.00, 113.79, 90.00
R / Rfree (%) 20.075 / 24.483

Other elements in 5a28:

The structure of Leishmania Major N-Myristoyltransferase in Complex with A Chlorophenyl 1,3,4-Oxadiazole Inhibitor. also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Leishmania Major N-Myristoyltransferase in Complex with A Chlorophenyl 1,3,4-Oxadiazole Inhibitor. (pdb code 5a28). 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 Leishmania Major N-Myristoyltransferase in Complex with A Chlorophenyl 1,3,4-Oxadiazole Inhibitor., PDB code: 5a28:

Chlorine binding site 1 out of 1 in 5a28

Go back to Chlorine Binding Sites List in 5a28
Chlorine binding site 1 out of 1 in the Leishmania Major N-Myristoyltransferase in Complex with A Chlorophenyl 1,3,4-Oxadiazole Inhibitor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Leishmania Major N-Myristoyltransferase in Complex with A Chlorophenyl 1,3,4-Oxadiazole Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1002

b:19.0
occ:1.00
 CL A:TUQ1002 0.0 19.0 1.0
C11 A:TUQ1002 1.8 14.0 1.0
C12 A:TUQ1002 2.7 14.6 1.0
C10 A:TUQ1002 2.7 16.6 1.0
CE1 A:HIS219 3.2 17.9 0.5
O A:PHE218 3.3 15.7 1.0
ND1 A:HIS219 3.5 19.3 0.5
CB A:ASN376 3.5 13.7 1.0
O A:MET377 3.5 15.7 1.0
CB A:TYR217 3.5 13.6 0.5
CB A:TYR217 3.6 16.6 0.5
N A:MET377 3.7 12.4 1.0
CG A:ASN376 3.7 14.6 1.0
N A:PHE218 3.8 14.1 1.0
CG A:TYR217 3.9 18.1 0.5
C9 A:TUQ1002 4.0 16.5 1.0
OD1 A:ASN376 4.0 16.2 1.0
C13 A:TUQ1002 4.0 16.7 1.0
C A:PHE218 4.0 14.9 1.0
CD1 A:TYR217 4.1 14.7 0.5
CA A:ASN376 4.1 11.8 1.0
CA A:TYR217 4.1 15.2 0.5
CA A:TYR217 4.1 14.0 0.5
CG A:TYR217 4.2 12.9 0.5
NE2 A:HIS219 4.2 18.1 0.5
C A:ASN376 4.3 13.0 1.0
C A:MET377 4.3 14.2 1.0
C A:TYR217 4.3 15.5 1.0
CD1 A:TYR217 4.3 19.1 0.5
ND2 A:ASN376 4.3 17.1 1.0
CD2 A:TYR217 4.4 22.3 0.5
C14 A:TUQ1002 4.5 18.8 1.0
CA A:PHE218 4.5 14.0 1.0
CA A:MET377 4.6 13.7 1.0
CG A:HIS219 4.6 18.8 0.5
N A:HIS219 5.0 14.1 0.5
N A:HIS219 5.0 13.5 0.5
CD2 A:HIS219 5.0 17.7 0.5
CE2 A:TYR345 5.0 9.6 1.0

Reference:

M.D.Rackham, Z.Yu, J.A.Brannigan, W.P.Heal, D.Paape, K.V.Barker, A.J.Wilkinson, D.F.Smith, R.J.Leatherbarrow, E.W.Tate. Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase. Medchemcomm V. 6 1761 2015.
ISSN: ISSN 2040-2503
PubMed: 26962429
DOI: 10.1039/C5MD00241A
Page generated: Fri Jul 26 04:55:22 2024

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