Arsenic in PDB 4v2x: High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans

The structure of High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans, PDB code: 4v2x was solved by I.Venditto, H.Santos, L.M.A.Ferreira, K.Sakka, 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)	51.27 / 1.64
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.220, 141.840, 50.820, 90.00, 90.00, 90.00
R / Rfree (%)	15.43 / 18.094

The structure of High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Arsenic atom in the High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans (pdb code 4v2x). 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 High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans, PDB code: 4v2x:

Arsenic binding site 1 out of 1 in the High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of High Resolution Structure of the Full Length Tri-Modular Endo-Beta-1,4-Glucanase B (CEL5B) From Bacillus Halodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:As1574 b:59.7 occ:0.50 AS A:CAC1574 0.0 59.7 0.5 O1 A:CAC1574 1.7 57.8 0.5 O2 A:CAC1574 1.7 61.1 0.5 C2 A:CAC1574 2.0 60.1 0.5 C1 A:CAC1574 2.0 58.8 0.5 O A:HOH2153 3.0 22.3 1.0 O A:HOH2220 3.4 25.7 1.0 O A:HOH2111 3.6 40.5 1.0 OD2 A:ASP303 4.2 25.1 1.0 OE1 A:GLU174 4.3 13.9 1.0 O A:HOH2052 4.5 27.4 1.0 O A:HOH2109 4.5 15.8 1.0 OE2 A:GLU174 4.6 13.6 1.0 O A:HOH2108 4.7 19.1 1.0 CD1 A:LEU300 4.8 18.4 1.0 CD A:GLU174 4.9 13.2 1.0

I.Venditto, S.Najmudin, A.S.Luis, L.M.A.Ferreira, K.Sakka, H.J.Gilbert, C.M.G.A.Fontes. Family 46 Carbohydrate-Binding Modules Contribute to the Enzymatic Hydrolysis of Xyloglucan and Beta-1,3-1,4-Glucans Through Distinct Mechanisms To Be Published.