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Magnesium in PDB 4zx6: X-Ray Crystal Structure of Pfa-M1 in Complex with Hydroxamic Acid- Based Inhibitor 10S

Protein crystallography data

The structure of X-Ray Crystal Structure of Pfa-M1 in Complex with Hydroxamic Acid- Based Inhibitor 10S, PDB code: 4zx6 was solved by N.Drinkwater, S.Mcgowan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.69 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.860, 109.000, 118.510, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 21.9

Other elements in 4zx6:

The structure of X-Ray Crystal Structure of Pfa-M1 in Complex with Hydroxamic Acid- Based Inhibitor 10S also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the X-Ray Crystal Structure of Pfa-M1 in Complex with Hydroxamic Acid- Based Inhibitor 10S (pdb code 4zx6). 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 X-Ray Crystal Structure of Pfa-M1 in Complex with Hydroxamic Acid- Based Inhibitor 10S, PDB code: 4zx6:

Magnesium binding site 1 out of 1 in 4zx6

Go back to Magnesium Binding Sites List in 4zx6
Magnesium binding site 1 out of 1 in the X-Ray Crystal Structure of Pfa-M1 in Complex with Hydroxamic Acid- Based Inhibitor 10S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Crystal Structure of Pfa-M1 in Complex with Hydroxamic Acid- Based Inhibitor 10S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1103

b:39.2
occ:1.00
O A:HOH1378 2.1 37.8 1.0
O A:HOH2146 2.2 40.8 1.0
O A:HOH2061 2.3 28.7 1.0
O A:HOH1572 2.4 23.3 1.0
O A:HOH1712 2.4 35.4 1.0
OD1 A:ASP438 3.7 19.8 1.0
OD2 A:ASP438 4.2 20.5 1.0
CD A:LYS402 4.2 29.6 1.0
O A:HOH1296 4.2 23.0 1.0
OE1 A:GLU437 4.4 22.7 1.0
CG A:ASP438 4.4 19.8 1.0
CG A:LYS402 4.5 30.2 1.0
CE A:LYS402 4.6 30.4 1.0
OH A:TYR399 4.8 21.2 1.0
CB A:LYS402 4.8 29.7 1.0
CB A:ALA434 4.8 18.3 1.0

Reference:

N.Drinkwater, N.B.Vinh, S.N.Mistry, R.S.Bamert, C.Ruggeri, J.P.Holleran, S.Loganathan, A.Paiardini, S.A.Charman, A.K.Powell, V.M.Avery, S.Mcgowan, P.J.Scammells. Potent Dual Inhibitors of Plasmodium Falciparum M1 and M17 Aminopeptidases Through Optimization of S1 Pocket Interactions. Eur.J.Med.Chem. V. 110 43 2016.
ISSN: ISSN 0223-5234
PubMed: 26807544
DOI: 10.1016/J.EJMECH.2016.01.015
Page generated: Mon Dec 14 19:58:46 2020

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