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Magnesium in PDB 4r5x: Structure of the M1 Alanylaminopeptidase From Malaria Complexed with A Hydroxamic Acid-Based Inhibitor

Protein crystallography data

The structure of Structure of the M1 Alanylaminopeptidase From Malaria Complexed with A Hydroxamic Acid-Based Inhibitor, PDB code: 4r5x 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) 46.39 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 75.447, 109.066, 117.649, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 20.4

Other elements in 4r5x:

The structure of Structure of the M1 Alanylaminopeptidase From Malaria Complexed with A Hydroxamic Acid-Based Inhibitor also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of the M1 Alanylaminopeptidase From Malaria Complexed with A Hydroxamic Acid-Based Inhibitor (pdb code 4r5x). 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 Structure of the M1 Alanylaminopeptidase From Malaria Complexed with A Hydroxamic Acid-Based Inhibitor, PDB code: 4r5x:

Magnesium binding site 1 out of 1 in 4r5x

Go back to Magnesium Binding Sites List in 4r5x
Magnesium binding site 1 out of 1 in the Structure of the M1 Alanylaminopeptidase From Malaria Complexed with A Hydroxamic Acid-Based Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the M1 Alanylaminopeptidase From Malaria Complexed with A Hydroxamic Acid-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1105

b:44.2
occ:1.00
O A:HOH2034 2.1 37.0 1.0
O A:GLY250 2.1 25.0 1.0
O A:HOH1483 2.2 38.8 1.0
O A:HOH1484 2.3 47.4 1.0
O A:HOH1357 2.3 32.5 1.0
O A:HOH1400 2.3 28.7 1.0
C A:GLY250 3.2 26.7 1.0
CA A:GLY250 3.7 27.3 1.0
O A:HOH1769 3.7 46.0 1.0
O A:HOH1617 3.9 39.4 1.0
O A:HOH1414 4.2 22.2 1.0
N A:LEU251 4.3 23.4 1.0
O A:HOH1250 4.6 24.1 1.0
ND1 A:HIS297 4.7 32.4 1.0
O A:HOH1700 4.7 44.3 1.0
CA A:LEU251 4.7 26.9 1.0
O A:ILE295 4.8 24.7 1.0
C A:LEU251 5.0 27.9 1.0

Reference:

S.N.Mistry, N.Drinkwater, C.Ruggeri, K.Kannan Sivaraman, S.Loganathan, S.Fletcher, M.Drag, A.Paiardini, V.M.Avery, P.J.Scammells, S.Mcgowan. A Two-Pronged Attack: Dual Inhibition of Plasmodium Falciparum M1 and M17 Metalloaminopeptidases By A Novel Series of Hydroxamic Acid-Based Inhibitors. J.Med.Chem. 2014.
ISSN: ISSN 0022-2623
PubMed: 25299353
DOI: 10.1021/JM501323A
Page generated: Tue Aug 20 02:52:30 2024

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