Manganese in PDB 8yrl: Crystal Structure of Aspergillus Fumigatus Galactofuranosylransferase (Afgfsa) in Complex with Udp and Galactofuranose

The structure of Crystal Structure of Aspergillus Fumigatus Galactofuranosylransferase (Afgfsa) in Complex with Udp and Galactofuranose, PDB code: 8yrl was solved by A.Okuno, T.Oka, Y.Chihara, R.Hirata, C.Kadooka, T.Teramoto, D.Hira, Y.Kakuta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.34 / 2.37
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	84.142, 188.606, 71.933, 90, 90, 90
R / Rfree (%)	20.6 / 26.8

The binding sites of Manganese atom in the Crystal Structure of Aspergillus Fumigatus Galactofuranosylransferase (Afgfsa) in Complex with Udp and Galactofuranose (pdb code 8yrl). 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 Aspergillus Fumigatus Galactofuranosylransferase (Afgfsa) in Complex with Udp and Galactofuranose, PDB code: 8yrl:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Aspergillus Fumigatus Galactofuranosylransferase (Afgfsa) in Complex with Udp and Galactofuranose


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 Aspergillus Fumigatus Galactofuranosylransferase (Afgfsa) in Complex with Udp and Galactofuranose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn701 b:40.9 occ:1.00 O1A A:UDP702 1.9 57.2 1.0 NE2 A:HIS379 2.1 44.9 1.0 OD2 A:ASP260 2.2 38.2 1.0 OD1 A:ASP262 2.4 41.5 1.0 O3B A:UDP702 2.5 44.8 1.0 CE1 A:HIS379 3.0 32.7 1.0 OD2 A:ASP262 3.1 35.6 1.0 CG A:ASP262 3.1 36.8 1.0 CD2 A:HIS379 3.1 36.9 1.0 CG A:ASP260 3.1 42.2 1.0 PA A:UDP702 3.3 54.4 1.0 CB A:ASP260 3.4 36.0 1.0 O3A A:UDP702 3.7 51.2 1.0 PB A:UDP702 3.7 48.9 1.0 O A:HOH829 4.0 44.6 1.0 O A:HOH826 4.1 49.0 1.0 ND1 A:HIS379 4.1 30.7 1.0 O5' A:UDP702 4.2 67.0 1.0 O A:HOH851 4.2 41.2 1.0 CG A:HIS379 4.2 32.8 1.0 C5 A:UDP702 4.3 53.1 1.0 OD1 A:ASP260 4.3 37.7 1.0 O2A A:UDP702 4.4 56.4 1.0 CD2 A:HIS380 4.5 33.9 1.0 CB A:ASP262 4.6 39.3 1.0 O1B A:UDP702 4.6 66.4 1.0 C6 A:UDP702 4.7 58.3 1.0 NE2 A:HIS380 4.7 37.6 1.0 O2B A:UDP702 4.8 54.8 1.0 CA A:GLY306 4.8 35.8 1.0 CA A:ASP260 4.8 38.7 1.0 N A:ASP262 5.0 41.1 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Aspergillus Fumigatus Galactofuranosylransferase (Afgfsa) in Complex with Udp and Galactofuranose


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 Aspergillus Fumigatus Galactofuranosylransferase (Afgfsa) in Complex with Udp and Galactofuranose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn802 b:36.3 occ:1.00 NE2 B:HIS379 2.1 40.5 1.0 O2A B:UDP801 2.2 63.9 1.0 OD2 B:ASP260 2.3 47.5 1.0 OD1 B:ASP262 2.4 37.0 1.0 O2B B:UDP801 2.4 54.3 1.0 OD2 B:ASP262 2.9 30.8 1.0 CG B:ASP262 3.0 38.3 1.0 CE1 B:HIS379 3.1 37.4 1.0 CD2 B:HIS379 3.1 34.5 1.0 CG B:ASP260 3.2 41.0 1.0 PA B:UDP801 3.2 49.7 1.0 CB B:ASP260 3.4 39.9 1.0 O1A B:UDP801 3.6 59.3 1.0 PB B:UDP801 3.7 51.1 1.0 O3A B:UDP801 3.8 58.7 1.0 O B:HOH903 3.8 51.9 1.0 ND1 B:HIS379 4.2 33.9 1.0 C5 B:UDP801 4.2 50.2 1.0 CG B:HIS379 4.3 32.1 1.0 O3B B:UDP801 4.3 56.3 1.0 OD1 B:ASP260 4.4 51.3 1.0 CB B:ASP262 4.5 34.1 1.0 O5' B:UDP801 4.6 50.8 1.0 C6 B:UDP801 4.6 54.1 1.0 CD2 B:HIS380 4.7 41.4 1.0 CA B:GLY306 4.7 34.4 1.0 CA B:ASP260 4.8 40.7 1.0 O1B B:UDP801 4.9 42.9 1.0 N B:ASP262 4.9 33.3 1.0 NE2 B:HIS380 4.9 40.1 1.0

T.Oka, A.Okuno, Y.Chihara, R.Hirata, C.Kadooka, T.Teramoto, D.Hira, Y.Kakuta. Substrate Binding and Catalytic Mechanism of Udp-A-D-Galactofuranose: Beta-Galactofuranoside Beta-(1->5)-Galactofuranosyltransferase Gfsa To Be Published.