Manganese in PDB 1xuu: Crystal Structure of Sialic Acid Synthase (Neub) in Complex with MN2+ and Malate From Neisseria Meningitidis

The structure of Crystal Structure of Sialic Acid Synthase (Neub) in Complex with MN2+ and Malate From Neisseria Meningitidis, PDB code: 1xuu was solved by J.Gunawan, D.Simard, M.Gilbert, A.L.Lovering, W.W.Wakarchuk, M.E.Tanner, N.C.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.767, 76.147, 77.482, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 23.8

The binding sites of Manganese atom in the Crystal Structure of Sialic Acid Synthase (Neub) in Complex with MN2+ and Malate From Neisseria Meningitidis (pdb code 1xuu). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of Sialic Acid Synthase (Neub) in Complex with MN2+ and Malate From Neisseria Meningitidis, PDB code: 1xuu:

Manganese binding site 1 out of 1 in the Crystal Structure of Sialic Acid Synthase (Neub) in Complex with MN2+ and Malate From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Sialic Acid Synthase (Neub) in Complex with MN2+ and Malate From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1001 b:18.2 occ:1.00 NE2 A:HIS215 2.1 17.2 1.0 NE2 A:HIS236 2.1 17.7 1.0 O3 A:MLT3222 2.4 29.9 1.0 O1 A:MLT3222 2.4 31.9 1.0 OH A:TYR186 2.8 23.0 1.0 CD2 A:HIS236 3.0 17.3 1.0 CD2 A:HIS215 3.0 17.9 1.0 C1 A:MLT3222 3.1 33.1 1.0 CE1 A:HIS215 3.1 16.8 1.0 CE1 A:HIS236 3.1 15.7 1.0 C2 A:MLT3222 3.2 30.6 1.0 CZ A:TYR186 3.6 25.7 1.0 OE1 A:GLU25 3.8 27.6 1.0 CE2 A:TYR186 3.9 25.8 1.0 O A:HOH3316 4.0 25.4 1.0 CG A:HIS236 4.2 16.5 1.0 O5 A:MLT3222 4.2 31.0 1.0 CG A:HIS215 4.2 18.4 1.0 ND1 A:HIS215 4.2 16.5 1.0 ND1 A:HIS236 4.2 17.6 1.0 O2 A:MLT3222 4.3 36.5 1.0 C3 A:MLT3222 4.4 30.6 1.0 CD A:GLU25 4.5 24.1 1.0 OE2 A:GLU25 4.5 27.6 1.0 CE1 A:TYR186 4.5 25.3 1.0 O A:HOH3271 4.6 19.8 1.0 C4 A:MLT3222 4.6 30.1 1.0

J.Gunawan, D.Simard, M.Gilbert, A.L.Lovering, W.W.Wakarchuk, M.E.Tanner, N.C.Strynadka. Structural and Mechanistic Analysis of Sialic Acid Synthase Neub From Neisseria Meningitidis in Complex with MN2+, Phosphoenolpyruvate, and N-Acetylmannosaminitol. J.Biol.Chem. V. 280 3555 2005.
ISSN: ISSN 0021-9258
PubMed: 15516336
DOI: 10.1074/JBC.M411942200