Calcium in PDB 5g56: The Tetra-Modular Cellulosomal Arabinoxylanase CTXYL5A Structure As Revealed By X-Ray Crystallography

The structure of The Tetra-Modular Cellulosomal Arabinoxylanase CTXYL5A Structure As Revealed By X-Ray Crystallography, PDB code: 5g56 was solved by J.L.A.Bras, H.J.Gilbert, 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)	50.70 / 2.64
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	147.410, 191.730, 50.700, 90.00, 90.00, 90.00
R / Rfree (%)	23.726 / 27.8

The binding sites of Calcium atom in the The Tetra-Modular Cellulosomal Arabinoxylanase CTXYL5A Structure As Revealed By X-Ray Crystallography (pdb code 5g56). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the The Tetra-Modular Cellulosomal Arabinoxylanase CTXYL5A Structure As Revealed By X-Ray Crystallography, PDB code: 5g56:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the The Tetra-Modular Cellulosomal Arabinoxylanase CTXYL5A Structure As Revealed By X-Ray Crystallography


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Tetra-Modular Cellulosomal Arabinoxylanase CTXYL5A Structure As Revealed By X-Ray Crystallography within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1743 b:38.7 occ:1.00 OD1 A:ASP394 2.2 43.3 1.0 OD2 A:ASP392 2.4 38.4 1.0 O A:VAL396 2.4 37.8 1.0 O A:GLY407 2.5 34.1 1.0 OD2 A:ASP409 2.6 35.2 1.0 OD1 A:ASP409 2.7 35.5 1.0 CG A:ASP409 3.0 35.1 1.0 CG A:ASP394 3.3 43.2 1.0 O A:ASP394 3.4 40.7 1.0 CG A:ASP392 3.4 37.2 1.0 C A:VAL396 3.6 38.6 1.0 C A:GLY407 3.7 33.9 1.0 OD2 A:ASP394 3.9 43.5 1.0 O A:HOH2156 4.0 41.6 1.0 C A:ASP394 4.0 40.6 1.0 OD1 A:ASP392 4.1 37.2 1.0 CA A:CA1744 4.2 38.1 1.0 N A:ASP394 4.3 40.6 1.0 N A:VAL396 4.3 39.5 1.0 CB A:ASP392 4.3 36.4 1.0 CA A:GLY407 4.4 34.6 1.0 CB A:ASP409 4.4 34.7 1.0 CA A:ASP394 4.4 41.4 1.0 CB A:ASP394 4.4 42.8 1.0 N A:ASN397 4.5 38.1 1.0 CA A:VAL396 4.6 39.5 1.0 N A:ASP409 4.6 32.9 1.0 CA A:ASN397 4.6 37.9 1.0 C A:VAL408 4.7 33.1 1.0 N A:VAL408 4.7 33.1 1.0 N A:VAL398 4.7 38.8 1.0 CG1 A:VAL398 4.8 39.8 1.0 CG2 A:VAL396 4.8 40.9 1.0 CA A:VAL408 4.8 32.9 1.0 N A:SER395 4.8 40.4 1.0 CA A:ASP409 4.9 33.7 1.0 C A:SER395 5.0 39.4 1.0

Calcium binding site 2 out of 3 in the The Tetra-Modular Cellulosomal Arabinoxylanase CTXYL5A Structure As Revealed By X-Ray Crystallography


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Tetra-Modular Cellulosomal Arabinoxylanase CTXYL5A Structure As Revealed By X-Ray Crystallography within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1744 b:38.1 occ:1.00 O A:HOH2155 2.3 37.6 1.0 OD1 A:ASP392 2.3 37.2 1.0 O A:TRP424 2.4 37.1 1.0 O A:HOH2156 2.4 41.6 1.0 OD2 A:ASP409 2.4 35.2 1.0 OE1 A:GLU429 2.9 35.5 1.0 OE2 A:GLU429 2.9 35.7 1.0 OD2 A:ASP392 3.0 38.4 1.0 CG A:ASP392 3.0 37.2 1.0 CD A:GLU429 3.3 35.6 1.0 C A:TRP424 3.5 38.1 1.0 CG A:ASP409 3.5 35.1 1.0 CB A:ASP409 3.9 34.7 1.0 CB A:TRP424 3.9 39.1 1.0 O A:GLY423 4.1 36.4 1.0 CA A:CA1743 4.2 38.7 1.0 CA A:TRP424 4.3 39.0 1.0 N A:ILE425 4.3 38.4 1.0 O A:HOH2169 4.3 31.4 1.0 N A:ASP409 4.4 32.9 1.0 CA A:ILE425 4.5 38.1 1.0 CB A:ASP392 4.5 36.4 1.0 OD1 A:ASP409 4.6 35.5 1.0 N A:SER426 4.6 39.5 1.0 O A:HOH2154 4.7 17.5 1.0 OG1 A:THR393 4.8 40.3 1.0 CG A:GLU429 4.8 35.3 1.0 CA A:ASP409 4.9 33.7 1.0 O A:GLY407 5.0 34.1 1.0 N A:THR393 5.0 38.7 1.0

Calcium binding site 3 out of 3 in the The Tetra-Modular Cellulosomal Arabinoxylanase CTXYL5A Structure As Revealed By X-Ray Crystallography


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Tetra-Modular Cellulosomal Arabinoxylanase CTXYL5A Structure As Revealed By X-Ray Crystallography within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1745 b:34.4 occ:1.00 O A:TYR420 2.4 36.6 1.0 O A:HOH2147 2.4 27.7 1.0 OE1 A:GLU377 2.4 36.1 1.0 OD1 A:ASN509 2.4 36.6 1.0 OE1 A:GLU379 2.4 33.2 1.0 O A:ASN509 2.5 35.8 1.0 OE2 A:GLU379 2.7 34.1 1.0 CD A:GLU379 3.0 33.4 1.0 C A:ASN509 3.4 35.8 1.0 CD A:GLU377 3.5 35.5 1.0 C A:TYR420 3.6 36.5 1.0 CG A:ASN509 3.6 37.2 1.0 CA A:ASN509 3.9 36.7 1.0 CB A:GLU377 4.0 34.2 1.0 N A:TYR420 4.1 35.8 1.0 CG A:GLU377 4.2 34.6 1.0 O A:HOH2148 4.3 34.3 1.0 CB A:ASN509 4.4 37.4 1.0 N A:ALA378 4.4 32.9 1.0 CA A:GLU377 4.4 33.8 1.0 CA A:TYR420 4.4 36.5 1.0 N A:TRP510 4.5 35.6 1.0 OE2 A:GLU377 4.5 35.8 1.0 CG A:GLU379 4.5 32.8 1.0 N A:ASN421 4.5 36.4 1.0 CA A:ASN421 4.6 36.1 1.0 ND2 A:ASN509 4.6 37.8 1.0 CB A:TRP510 4.6 35.0 1.0 CD1 A:TRP510 4.8 36.5 1.0 C A:GLU377 4.8 33.1 1.0 CA A:TRP510 4.9 34.6 1.0

A.Labourel, L.I.Crouch, J.L.Bras, A.Jackson, A.Rogowski, J.Gray, M.P.Yadav, B.Henrissat, C.M.Fontes, H.J.Gilbert, S.Najmudin, A.Basle, F.Cuskin. The Mechanism By Which Arabinoxylanases Can Recognise Highly Decorated Xylans. J.Biol.Chem. V. 291 22149 2016.
ISSN: ISSN 0021-9258
PubMed: 27531750
DOI: 10.1074/JBC.M116.743948