Manganese in PDB 4c21: L-Fucose Isomerase in Complex with Fucitol

All present enzymatic activity of L-Fucose Isomerase in Complex with Fucitol:
5.3.1.25;

The structure of L-Fucose Isomerase in Complex with Fucitol, PDB code: 4c21 was solved by M.A.Higgins, M.D.L.Suits, C.Marsters, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.71 / 2.55
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	152.850, 152.850, 408.330, 90.00, 90.00, 120.00
R / Rfree (%)	13.518 / 18.75

The binding sites of Manganese atom in the L-Fucose Isomerase in Complex with Fucitol (pdb code 4c21). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the L-Fucose Isomerase in Complex with Fucitol, PDB code: 4c21:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the L-Fucose Isomerase in Complex with Fucitol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of L-Fucose Isomerase in Complex with Fucitol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn600 b:55.1 occ:1.00 O1 A:FOC601 2.0 34.9 1.0 O2 A:FOC601 2.3 48.9 1.0 NE2 A:HIS525 2.3 30.9 1.0 OD2 A:ASP359 2.4 37.7 1.0 OD1 A:ASP359 2.4 56.0 1.0 CG A:ASP359 2.8 37.1 1.0 C2 A:FOC601 3.1 45.8 1.0 OE1 A:GLU335 3.1 41.7 1.0 C1 A:FOC601 3.1 38.6 1.0 CE1 A:HIS525 3.2 29.9 1.0 OE2 A:GLU335 3.3 46.7 1.0 CD2 A:HIS525 3.4 28.9 1.0 CD A:GLU335 3.5 40.9 1.0 OD1 A:ASN390 3.6 29.5 1.0 OG A:SER391 3.6 51.3 1.0 CB A:ASP359 4.3 32.2 1.0 CB A:SER391 4.3 35.5 1.0 ND2 A:ASN524 4.3 33.0 1.0 ND1 A:HIS525 4.4 31.0 1.0 CG A:HIS525 4.5 30.2 1.0 C3 A:FOC601 4.5 46.4 1.0 CE1 A:PHE357 4.5 29.0 1.0 N A:SER391 4.6 33.1 1.0 O4 A:FOC601 4.6 44.4 1.0 CG A:ASN390 4.8 30.6 1.0 O3 A:FOC601 4.9 51.0 1.0 CG A:GLU335 4.9 36.2 1.0 N A:ASP359 5.0 29.9 1.0 CA A:ASP359 5.0 30.4 1.0

Manganese binding site 2 out of 2 in the L-Fucose Isomerase in Complex with Fucitol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of L-Fucose Isomerase in Complex with Fucitol within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn600 b:47.6 occ:1.00 O1 B:FOC601 2.0 45.8 1.0 OD1 B:ASP359 2.1 44.1 1.0 O B:HOH2216 2.2 39.8 1.0 O2 B:FOC601 2.3 42.0 1.0 NE2 B:HIS525 2.4 27.3 1.0 CG B:ASP359 2.9 42.6 1.0 OD2 B:ASP359 2.9 61.6 1.0 C1 B:FOC601 2.9 44.2 1.0 C2 B:FOC601 3.0 46.1 1.0 OE1 B:GLU335 3.1 42.4 1.0 OE2 B:GLU335 3.3 40.5 1.0 CD2 B:HIS525 3.3 23.7 1.0 CE1 B:HIS525 3.4 26.0 1.0 CD B:GLU335 3.6 37.8 1.0 ND2 B:ASN524 3.8 29.7 1.0 OG B:SER391 4.0 44.0 1.0 OD1 B:ASN390 4.2 32.3 1.0 O B:HOH2224 4.2 46.1 1.0 CB B:ASP359 4.3 35.2 1.0 C3 B:FOC601 4.4 45.0 1.0 ND1 B:HIS525 4.5 26.2 1.0 CG B:HIS525 4.5 26.4 1.0 CB B:SER391 4.6 35.0 1.0 O3 B:FOC601 4.8 51.7 1.0 N B:SER391 4.8 32.5 1.0 CE1 B:PHE357 4.8 25.8 1.0 CA B:ASP359 4.9 30.4 1.0 O4 B:FOC601 5.0 42.6 1.0

M.A.Higgins, M.D.Suits, C.Marsters, A.B.Boraston. Structural and Functional Analysis of Fucose-Processing Enzymes From Streptococcus Pneumoniae. J.Mol.Biol. V. 426 1469 2014.
ISSN: ISSN 0022-2836
PubMed: 24333485
DOI: 10.1016/J.JMB.2013.12.006