Arsenic in PDB 5aot: Very High Resolution Structure of A Novel Carbohydrate Binding Module From Ruminococcus Flavefaciens Fd-1 Endoglucanase CEL5A

The structure of Very High Resolution Structure of A Novel Carbohydrate Binding Module From Ruminococcus Flavefaciens Fd-1 Endoglucanase CEL5A, PDB code: 5aot was solved by A.J.Pires, T.Ribeiro, A.Thompson, I.Venditto, V.O.Fernandes, P.Bule, H.Santos, V.D.Alves, V.Pires, L.M.A.Ferreira, C.M.G.A.Fontes, S.Najmudin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.29 / 1.02
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.272, 45.020, 49.453, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 17

The binding sites of Arsenic atom in the Very High Resolution Structure of A Novel Carbohydrate Binding Module From Ruminococcus Flavefaciens Fd-1 Endoglucanase CEL5A (pdb code 5aot). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Very High Resolution Structure of A Novel Carbohydrate Binding Module From Ruminococcus Flavefaciens Fd-1 Endoglucanase CEL5A, PDB code: 5aot:

Arsenic binding site 1 out of 1 in the Very High Resolution Structure of A Novel Carbohydrate Binding Module From Ruminococcus Flavefaciens Fd-1 Endoglucanase CEL5A


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Very High Resolution Structure of A Novel Carbohydrate Binding Module From Ruminococcus Flavefaciens Fd-1 Endoglucanase CEL5A within 5.0Å range: probe atom residue distance (Å) B Occ A:As1512 b:31.0 occ:1.00 AS A:CAC1512 0.0 31.0 1.0 O1 A:CAC1512 1.7 22.7 1.0 O2 A:CAC1512 1.8 23.3 1.0 C1 A:CAC1512 1.9 28.0 1.0 C2 A:CAC1512 2.0 31.9 1.0 O A:HOH2126 3.4 35.5 1.0 ND1 A:HIS508 3.7 14.6 1.0 CE1 A:HIS506 3.8 16.5 1.0 O A:HOH2131 4.1 37.4 1.0 O A:HIS507 4.3 12.6 1.0 CA A:HIS508 4.4 10.8 1.0 CE1 A:HIS508 4.5 15.5 1.0 NE2 A:HIS506 4.7 17.6 1.0 ND1 A:HIS506 4.7 18.2 1.0 N A:HIS509 4.7 11.4 1.0 CG A:HIS508 4.7 12.6 1.0 CB A:HIS508 4.8 11.7 1.0

I.Venditto, A.S.Luis, M.Rydahl, J.Schuckel, V.O.Fernandes, S.Vidal-Melgosa, P.Bule, A.Goyal, V.M.Pires, C.G.Dourado, L.M.Ferreira, P.M.Coutinho, B.Henrissat, J.P.Knox, A.Basle, S.Najmudin, H.J.Gilbert, W.G.Willats, C.M.Fontes. Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects An Expansion in Glycan Recognition. Proc. Natl. Acad. Sci. V. 113 7136 2016U.S.A..
ISSN: ESSN 1091-6490
PubMed: 27298375
DOI: 10.1073/PNAS.1601558113