Manganese in PDB 6ncs: Crystal Structure of N-Acetylneuraminic Acid (Sialic Acid) Synthetase From Leptospira Borgpetersenii Serovar Hardjo-Bovis in Complex with Citrate

The structure of Crystal Structure of N-Acetylneuraminic Acid (Sialic Acid) Synthetase From Leptospira Borgpetersenii Serovar Hardjo-Bovis in Complex with Citrate, PDB code: 6ncs was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.38 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.880, 49.120, 88.850, 90.00, 112.41, 90.00
R / Rfree (%)	15.6 / 19.8

The structure of Crystal Structure of N-Acetylneuraminic Acid (Sialic Acid) Synthetase From Leptospira Borgpetersenii Serovar Hardjo-Bovis in Complex with Citrate also contains other interesting chemical elements:

Iodine

(I)

23 atoms

The binding sites of Manganese atom in the Crystal Structure of N-Acetylneuraminic Acid (Sialic Acid) Synthetase From Leptospira Borgpetersenii Serovar Hardjo-Bovis in Complex with Citrate (pdb code 6ncs). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of N-Acetylneuraminic Acid (Sialic Acid) Synthetase From Leptospira Borgpetersenii Serovar Hardjo-Bovis in Complex with Citrate, PDB code: 6ncs:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of N-Acetylneuraminic Acid (Sialic Acid) Synthetase From Leptospira Borgpetersenii Serovar Hardjo-Bovis in Complex with Citrate


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 N-Acetylneuraminic Acid (Sialic Acid) Synthetase From Leptospira Borgpetersenii Serovar Hardjo-Bovis in Complex with Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:19.6 occ:0.66 O A:HOH410 2.0 24.6 1.0 O4 A:CIT302 2.0 25.8 0.9 O6 A:CIT302 2.1 22.7 0.9 NE2 A:HIS202 2.1 31.2 1.0 O7 A:CIT302 2.2 23.6 0.9 NE2 A:HIS223 2.2 26.8 1.0 C6 A:CIT302 2.8 39.2 0.9 C3 A:CIT302 2.9 36.1 0.9 C5 A:CIT302 3.0 41.5 0.9 CE1 A:HIS223 3.0 20.1 1.0 CD2 A:HIS202 3.0 30.0 1.0 CE1 A:HIS202 3.2 33.4 1.0 CD2 A:HIS223 3.3 21.3 1.0 C4 A:CIT302 3.5 39.9 0.9 O5 A:CIT302 4.0 37.0 0.9 O A:HOH458 4.1 29.4 1.0 O3 A:CIT302 4.1 33.1 0.9 O A:HOH486 4.1 23.1 1.0 ND1 A:HIS223 4.2 19.9 1.0 CG A:HIS202 4.2 30.2 1.0 ND1 A:HIS202 4.2 28.1 1.0 OH A:TYR174 4.3 44.8 1.0 OE1 A:GLU221 4.3 45.5 1.0 C2 A:CIT302 4.3 26.6 0.9 OE1 A:GLU23 4.4 29.4 1.0 CG A:HIS223 4.4 19.0 1.0 O A:HOH560 4.6 47.0 1.0 OG A:SER200 4.6 20.7 1.0 O2 A:CIT302 4.6 34.5 0.9 CG A:GLU23 4.7 25.7 1.0 C1 A:CIT302 4.7 24.6 0.9 CE2 A:TYR174 4.9 45.9 1.0 O A:HOH507 4.9 37.4 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of N-Acetylneuraminic Acid (Sialic Acid) Synthetase From Leptospira Borgpetersenii Serovar Hardjo-Bovis in Complex with Citrate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of N-Acetylneuraminic Acid (Sialic Acid) Synthetase From Leptospira Borgpetersenii Serovar Hardjo-Bovis in Complex with Citrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:29.1 occ:0.70 O3 B:CIT302 2.0 34.6 0.8 O5 B:CIT302 2.2 40.7 0.8 O B:HOH405 2.3 44.2 1.0 O7 B:CIT302 2.3 29.3 0.8 NE2 B:HIS202 2.3 21.5 1.0 NE2 B:HIS223 2.5 19.0 1.0 C6 B:CIT302 2.9 52.5 0.8 C3 B:CIT302 3.0 41.7 0.8 C5 B:CIT302 3.0 47.5 0.8 CD2 B:HIS202 3.2 27.4 1.0 CE1 B:HIS223 3.4 17.0 1.0 CE1 B:HIS202 3.4 33.4 1.0 CD2 B:HIS223 3.5 17.4 1.0 C4 B:CIT302 3.5 48.5 0.8 O B:HOH424 4.0 26.2 1.0 O6 B:CIT302 4.1 48.0 0.8 O4 B:CIT302 4.1 44.2 0.8 O B:HOH505 4.1 25.0 1.0 OE2 B:GLU221 4.3 46.4 1.0 C2 B:CIT302 4.4 38.8 0.8 CG B:HIS202 4.4 20.6 1.0 ND1 B:HIS202 4.4 31.6 1.0 OG B:SER200 4.5 19.0 1.0 ND1 B:HIS223 4.5 20.3 1.0 O B:HOH420 4.6 43.2 1.0 OE2 B:GLU23 4.6 20.0 1.0 CG B:HIS223 4.6 15.6 1.0 CE2 B:TYR174 4.6 31.2 1.0 OH B:TYR174 4.7 38.8 1.0 C1 B:CIT302 4.8 20.3 0.8 O B:HOH546 4.8 39.0 1.0 CG B:GLU23 4.8 21.0 1.0 O1 B:CIT302 4.9 27.4 0.8

J.Abendroth, D.M.Dranow, D.D.Lorimer, P.S.Horanyi, T.E.Edwards. Crystal Structure of N-Acetylneuraminic Acid (Sialic Acid) Synthetase From Leptospira Borgpetersenii Serovar Hardjo-Bovis in Complex with Citrate To Be Published.