Magnesium in PDB 4k8g: Crystal Structure of D-Mannonate Dehydratase From Novosphingobium Aromaticivorans Mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G)

The structure of Crystal Structure of D-Mannonate Dehydratase From Novosphingobium Aromaticivorans Mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G), PDB code: 4k8g was solved by T.Lukk, D.Wichelecki, J.A.Gerlt, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.90 / 1.25
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	125.770, 125.770, 119.740, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 14.8

The binding sites of Magnesium atom in the Crystal Structure of D-Mannonate Dehydratase From Novosphingobium Aromaticivorans Mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G) (pdb code 4k8g). 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 D-Mannonate Dehydratase From Novosphingobium Aromaticivorans Mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G), PDB code: 4k8g:

Magnesium binding site 1 out of 1 in the Crystal Structure of D-Mannonate Dehydratase From Novosphingobium Aromaticivorans Mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G)


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 D-Mannonate Dehydratase From Novosphingobium Aromaticivorans Mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:14.4 occ:1.00 O A:HOH666 2.2 10.7 1.0 OE1 A:GLU236 2.3 8.4 1.0 OE1 A:GLU262 2.4 8.7 1.0 OD2 A:ASP210 2.4 12.3 1.0 OE2 A:GLU262 3.0 10.1 1.0 CD A:GLU262 3.0 7.9 1.0 O A:HOH1036 3.1 22.5 1.0 CG A:ASP210 3.3 8.6 1.0 CD A:GLU236 3.4 7.4 1.0 OD1 A:ASP210 3.6 8.5 1.0 NH2 A:ARG283 4.0 8.2 1.0 O A:HOH814 4.0 20.5 1.0 O A:HOH889 4.1 39.8 1.0 OD2 A:ASP237 4.2 9.1 1.0 OE2 A:GLU236 4.3 9.0 1.0 O A:HOH679 4.3 11.2 1.0 CG A:GLU236 4.3 8.3 1.0 CG A:GLU262 4.5 8.2 1.0 CB A:ASP210 4.5 8.9 1.0 O A:HOH608 4.5 7.6 1.0 CD2 A:HIS212 4.7 25.1 1.0 NE2 A:HIS212 4.7 30.3 1.0 CG A:ASP237 4.8 7.9 1.0 NE A:ARG283 4.9 8.9 1.0 CZ A:ARG283 4.9 7.4 1.0 NH1 A:ARG147 4.9 24.0 1.0 C1 A:GOL501 4.9 20.0 1.0

D.Wichelecki, T.Lukk, S.K.Nair, J.A.Gerlt. Crystal Structure of D-Mannonate Dehydratase From Novosphingobium Aromaticivorans Mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G) To Be Published.