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Magnesium in PDB 6ppw: Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Magnesium and Malate

Enzymatic activity of Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Magnesium and Malate

All present enzymatic activity of Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Magnesium and Malate:
2.5.1.56;

Protein crystallography data

The structure of Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Magnesium and Malate, PDB code: 6ppw was solved by A.Z.Rosanally, M.S.Junop, P.J.Berti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.74 / 1.85
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 58.793, 76.030, 77.370, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 22.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Magnesium and Malate (pdb code 6ppw). 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 Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Magnesium and Malate, PDB code: 6ppw:

Magnesium binding site 1 out of 1 in 6ppw

Go back to Magnesium Binding Sites List in 6ppw
Magnesium binding site 1 out of 1 in the Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Magnesium and Malate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Magnesium and Malate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg701

b:15.3
occ:1.00
 NE2 A:HIS215 2.1 19.5 1.0
C1 A:MLT702 2.3 28.1 1.0
O1 A:MLT702 2.3 38.1 1.0
NE2 A:HIS236 2.4 27.9 1.0
O2 A:MLT702 2.4 38.9 1.0
H31 A:MLT702 2.9 42.1 1.0
CE1 A:HIS215 3.1 20.5 1.0
CD2 A:HIS215 3.1 17.8 1.0
CD2 A:HIS236 3.2 17.6 1.0
C2 A:MLT702 3.3 36.8 1.0
CE1 A:HIS236 3.4 26.6 1.0
H2 A:MLT702 3.4 44.1 1.0
C3 A:MLT702 3.5 35.1 1.0
O A:HOH934 3.6 27.9 1.0
H32 A:MLT702 4.1 42.1 1.0
CE2 A:TYR186 4.2 28.6 1.0
ND1 A:HIS215 4.2 22.7 1.0
CG A:HIS215 4.2 18.6 1.0
OE2 A:GLU234 4.3 36.2 1.0
OH A:TYR186 4.4 28.8 1.0
CG A:HIS236 4.4 18.2 1.0
ND1 A:HIS236 4.4 23.4 1.0
O3 A:MLT702 4.5 44.5 1.0
OG A:SER213 4.6 20.5 1.0
O A:HOH1019 4.7 19.8 1.0
C4 A:MLT702 4.7 25.7 1.0
O A:HOH819 4.7 29.4 1.0
CZ A:TYR186 4.8 26.1 1.0
CG A:GLU25 4.9 24.4 1.0

Reference:

V.Popovic, E.Morrison, A.Z.Rosanally, N.Balachandran, A.W.Senson, R.Szabla, M.S.Junop, P.J.Berti. Neunac Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase Neub. Biochemistry V. 58 4236 2019.
ISSN: ISSN 0006-2960
PubMed: 31549502
DOI: 10.1021/ACS.BIOCHEM.9B00654
Page generated: Tue Oct 1 14:14:27 2024

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