Atomistry » Magnesium » PDB 4cs4-4d4g » 4cyn
Atomistry »
  Magnesium »
    PDB 4cs4-4d4g »
      4cyn »

Magnesium in PDB 4cyn: Leishmania Major N-Myristoyltransferase in Complex with An Aminoacylpyrrolidine Inhibitor (2B)

Enzymatic activity of Leishmania Major N-Myristoyltransferase in Complex with An Aminoacylpyrrolidine Inhibitor (2B)

All present enzymatic activity of Leishmania Major N-Myristoyltransferase in Complex with An Aminoacylpyrrolidine Inhibitor (2B):
2.3.1.97;

Protein crystallography data

The structure of Leishmania Major N-Myristoyltransferase in Complex with An Aminoacylpyrrolidine Inhibitor (2B), PDB code: 4cyn was solved by J.A.Hutton, V.Goncalves, J.A.Brannigan, D.Paape, T.Waugh, S.M.Roberts, A.S.Bell, A.J.Wilkinson, D.F.Smith, R.J.Leatherbarrow, E.W.Tate, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.35 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.668, 91.638, 53.163, 90.00, 111.82, 90.00
R / Rfree (%) 17.418 / 21.226

Other elements in 4cyn:

The structure of Leishmania Major N-Myristoyltransferase in Complex with An Aminoacylpyrrolidine Inhibitor (2B) also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Leishmania Major N-Myristoyltransferase in Complex with An Aminoacylpyrrolidine Inhibitor (2B) (pdb code 4cyn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Leishmania Major N-Myristoyltransferase in Complex with An Aminoacylpyrrolidine Inhibitor (2B), PDB code: 4cyn:

Magnesium binding site 1 out of 1 in 4cyn

Go back to Magnesium Binding Sites List in 4cyn
Magnesium binding site 1 out of 1 in the Leishmania Major N-Myristoyltransferase in Complex with An Aminoacylpyrrolidine Inhibitor (2B)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Leishmania Major N-Myristoyltransferase in Complex with An Aminoacylpyrrolidine Inhibitor (2B) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg999

b:21.3
occ:1.00
 O A:LEU175 2.7 15.8 1.0
O2A A:MYA1001 2.8 13.2 1.0
N A:LYS178 2.9 16.1 1.0
O4A A:MYA1001 3.0 11.8 1.0
N A:LEU180 3.1 13.9 1.0
N A:ARG179 3.3 15.0 1.0
CB A:LEU180 3.4 14.6 1.0
N A:GLU177 3.5 14.3 1.0
CA A:LYS178 3.5 16.3 1.0
C A:LYS178 3.5 16.4 1.0
P1A A:MYA1001 3.7 12.4 1.0
CB A:LYS178 3.7 16.6 1.0
CA A:LEU180 3.8 15.0 1.0
C A:ARG176 3.8 14.0 1.0
C A:LEU175 3.8 13.9 1.0
O1A A:MYA1001 3.9 13.6 1.0
CG1 A:VAL171 4.0 11.8 1.0
C A:GLU177 4.0 16.4 1.0
CA A:ARG176 4.0 13.0 1.0
C A:ARG179 4.1 15.4 1.0
CA A:ARG179 4.1 14.3 1.0
CA A:GLU177 4.2 16.8 0.5
CA A:GLU177 4.2 16.6 0.5
P2A A:MYA1001 4.2 12.4 1.0
N A:ALA181 4.3 12.9 1.0
O3A A:MYA1001 4.3 12.4 1.0
O A:LYS178 4.4 18.6 1.0
N A:ARG176 4.4 13.4 1.0
C A:LEU180 4.6 14.0 1.0
CG A:LYS178 4.6 20.8 1.0
O A:ARG176 4.6 15.9 1.0
O6A A:MYA1001 4.7 11.2 1.0
CG2 A:VAL171 4.8 11.3 1.0
CG A:LEU180 4.8 15.7 1.0
CB A:VAL171 4.8 9.8 1.0
CD2 A:LEU180 5.0 16.6 1.0

Reference:

J.A.Hutton, V.Goncalves, J.A.Brannigan, D.Paape, M.H.Wright, T.M.Waugh, S.M.Roberts, A.S.Bell, A.J.Wilkinson, D.F.Smith, R.J.Leatherbarrow, E.W.Tate. Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors. J.Med.Chem. V. 57 8664 2014.
ISSN: ISSN 0022-2623
PubMed: 25238611
DOI: 10.1021/JM5011397
Page generated: Thu Aug 15 16:55:11 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy