Manganese in PDB 6g1g: GH124 Cellulase From Ruminiclostridium Thermocellum in Complex with Mn and Cellotriose

The structure of GH124 Cellulase From Ruminiclostridium Thermocellum in Complex with Mn and Cellotriose, PDB code: 6g1g was solved by S.Urresti, G.J.Davies, P.H.Walton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.10 / 1.04
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.917, 73.917, 74.936, 90.00, 90.00, 120.00
R / Rfree (%)	12.4 / 13.7

The binding sites of Manganese atom in the GH124 Cellulase From Ruminiclostridium Thermocellum in Complex with Mn and Cellotriose (pdb code 6g1g). 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 GH124 Cellulase From Ruminiclostridium Thermocellum in Complex with Mn and Cellotriose, PDB code: 6g1g:

Manganese binding site 1 out of 1 in the GH124 Cellulase From Ruminiclostridium Thermocellum in Complex with Mn and Cellotriose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of GH124 Cellulase From Ruminiclostridium Thermocellum in Complex with Mn and Cellotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:12.8 occ:0.65 OE1 A:GLN172 2.1 14.9 1.0 OD1 A:ASP141 2.2 18.5 1.0 NE2 A:HIS176 2.2 17.2 1.0 OE1 A:GLU175 2.2 17.6 0.7 ND1 A:OHI264 2.2 12.9 1.0 O A:HOH507 2.3 18.1 0.8 CE1 A:OHI264 3.0 13.5 1.0 O12 A:OHI264 3.0 15.0 0.3 CD A:GLN172 3.1 15.3 1.0 CD A:GLU175 3.1 17.8 0.7 CG A:ASP141 3.1 17.6 1.0 CD2 A:HIS176 3.2 15.6 1.0 CE1 A:HIS176 3.2 17.0 1.0 NE2 A:GLN172 3.4 20.5 1.0 CG A:OHI264 3.4 11.9 1.0 OD2 A:ASP141 3.5 17.1 1.0 OE2 A:GLU175 3.5 19.1 0.7 CB A:OHI264 3.9 11.6 1.0 OE2 A:GLU175 4.1 27.8 0.3 CG A:GLU175 4.3 18.1 0.7 NE2 A:OHI264 4.3 13.1 1.0 CG A:HIS176 4.3 14.1 1.0 ND1 A:HIS176 4.3 15.5 1.0 CB A:ASP141 4.4 17.9 1.0 CG A:GLN172 4.4 14.3 1.0 CD2 A:OHI264 4.4 13.0 1.0 CB A:GLU175 4.6 15.8 0.7 O A:HOH501 4.7 18.2 1.0 CA A:OHI264 4.7 11.0 1.0 CE A:MET246 4.7 13.3 1.0 CB A:GLU175 4.8 17.7 0.3 CB A:GLN172 4.9 12.5 1.0

S.Urresti, A.Cartmell, F.Liu, P.H.Walton, G.J.Davies. Structural Studies of the Unusual Metal-Ion Site of the GH124 Endoglucanase From Ruminiclostridium Thermocellum. Acta Crystallogr F Struct V. 74 496 2018BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 30084399
DOI: 10.1107/S2053230X18006842