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Chlorine in PDB 4a2z: Crystal Structure of Leishmania Major N-Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand

Enzymatic activity of Crystal Structure of Leishmania Major N-Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand

All present enzymatic activity of Crystal Structure of Leishmania Major N-Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand:
2.3.1.97;

Protein crystallography data

The structure of Crystal Structure of Leishmania Major N-Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand, PDB code: 4a2z was solved by D.A.Robinson, S.Brand, A.H.Fairlamb, M.A.J.Ferguson, J.A.Frearson, P.G.Wyatt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.91 / 2.31
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.498, 90.977, 53.459, 90.00, 114.05, 90.00
R / Rfree (%) 16.1 / 22.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Leishmania Major N-Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand (pdb code 4a2z). 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 Crystal Structure of Leishmania Major N-Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand, PDB code: 4a2z:

Chlorine binding site 1 out of 1 in 4a2z

Go back to Chlorine Binding Sites List in 4a2z
Chlorine binding site 1 out of 1 in the Crystal Structure of Leishmania Major N-Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand


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 Leishmania Major N-Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1425

b:35.1
occ:1.00
 O A:HOH2168 1.8 36.0 1.0
OH A:TYR217 3.2 13.4 1.0
CZ A:TYR217 4.3 10.6 1.0
C15 A:VIQ1423 4.4 27.8 1.0
CZ A:PHE90 4.4 13.9 1.0
CE2 A:TYR345 4.5 13.3 1.0
CE1 A:TYR217 4.6 10.4 1.0
C12 A:VIQ1423 4.6 24.6 1.0
OH A:TYR326 4.6 17.3 1.0
CD2 A:TYR345 4.7 13.3 1.0
O A:MET420 4.7 22.6 1.0
O A:LEU421 4.7 22.2 1.0
C14 A:VIQ1423 4.8 23.8 1.0
O A:HOH2112 4.8 30.1 1.0
CE2 A:PHE90 4.9 16.6 1.0
O A:HOH2042 4.9 20.9 1.0
OXT A:LEU421 5.0 22.8 1.0
OH A:TYR92 5.0 18.1 1.0

Reference:

S.Brand, L.A.Cleghorn, S.P.Mcelroy, D.A.Robinson, V.C.Smith, I.Hallyburton, J.R.Harrison, N.R.Norcross, D.Spinks, T.Bayliss, S.Norval, L.Stojanovski, L.S.Torrie, J.A.Frearson, R.Brenk, A.H.Fairlamb, M.A.Ferguson, K.D.Read, P.G.Wyatt, I.H.Gilbert. Discovery of A Novel Class of Orally Active Trypanocidal N-Myristoyltransferase Inhibitors. J. Med. Chem. V. 55 140 2012.
ISSN: ISSN 1520-4804
PubMed: 22148754
DOI: 10.1021/JM201091T
Page generated: Sun Jul 21 08:51:33 2024

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