Calcium in PDB 4ufc: Crystal Structure of the GH95 Enzyme BACOVA_03438

The structure of Crystal Structure of the GH95 Enzyme BACOVA_03438, PDB code: 4ufc was solved by A.Rogowski, J.A.Briggs, J.C.Mortimer, T.Tryfona, N.Terrapon, E.C.Lowe, A.Basle, C.Morland, A.M.Day, H.Zheng, T.E.Rogers, P.Thompson, A.R.Hawkins, M.P.Yadav, B.Henrissat, E.C.Martens, P.Dupree, H.J.Gilbert, D.N.Bolam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	134.93 / 2.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.692, 179.117, 205.181, 90.00, 90.00, 90.00
R / Rfree (%)	18.636 / 22.805

The structure of Crystal Structure of the GH95 Enzyme BACOVA_03438 also contains other interesting chemical elements:

Arsenic

(As)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of the GH95 Enzyme BACOVA_03438 (pdb code 4ufc). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of the GH95 Enzyme BACOVA_03438, PDB code: 4ufc:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of the GH95 Enzyme BACOVA_03438


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the GH95 Enzyme BACOVA_03438 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1808 b:55.8 occ:1.00 O A:SER343 2.5 29.1 1.0 OE1 A:GLU62 2.7 31.7 1.0 O A:SER42 2.7 30.8 1.0 O A:GLN349 2.7 29.7 1.0 CD A:GLU62 3.5 32.0 1.0 C A:SER343 3.6 29.1 1.0 CG2 A:ILE356 3.6 29.9 1.0 C A:GLN349 3.6 29.8 1.0 C A:SER42 3.8 31.0 1.0 CB A:GLU62 3.9 31.4 1.0 OE2 A:GLU62 4.1 32.4 1.0 N A:GLN349 4.2 30.2 1.0 CG A:GLU62 4.3 31.9 1.0 CA A:SER42 4.3 30.8 1.0 CA A:GLN349 4.3 30.1 1.0 O A:PRO350 4.3 29.4 1.0 OG A:SER42 4.3 31.5 1.0 CA A:SER344 4.4 29.3 1.0 C A:PRO350 4.4 29.3 1.0 CB A:GLN349 4.4 30.1 1.0 N A:SER344 4.4 29.2 1.0 CA A:SER343 4.6 29.1 1.0 CB A:SER42 4.6 31.2 1.0 N A:PRO350 4.6 29.6 1.0 N A:ALA351 4.8 29.2 1.0 CA A:PRO350 4.8 29.4 1.0 N A:ARG43 4.9 31.5 1.0 CA A:ALA351 5.0 29.2 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of the GH95 Enzyme BACOVA_03438


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the GH95 Enzyme BACOVA_03438 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1808 b:48.6 occ:1.00 OE2 A:GLU594 2.4 49.3 1.0 OE1 B:GLU702 2.5 49.9 1.0 OE1 B:GLU703 2.6 48.4 1.0 OE2 B:GLU702 2.6 49.5 1.0 CD B:GLU702 2.9 49.1 1.0 CD A:GLU594 3.5 47.0 1.0 CD B:GLU703 3.8 47.6 1.0 OE1 A:GLU594 4.0 48.2 1.0 CG B:GLU702 4.3 47.7 1.0 OE2 B:GLU703 4.5 49.1 1.0 ND2 B:ASN723 4.5 49.5 1.0 CB B:GLU703 4.6 45.4 1.0 CG A:GLU594 4.7 44.7 1.0 CG B:GLU703 4.8 46.3 1.0 O A:ALA781 4.9 44.7 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of the GH95 Enzyme BACOVA_03438


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the GH95 Enzyme BACOVA_03438 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1809 b:78.9 occ:1.00 O B:SER343 2.2 35.1 1.0 O B:GLN349 2.7 37.7 1.0 O B:SER42 2.7 39.9 1.0 OE1 B:GLU62 2.9 41.4 1.0 C B:SER343 3.3 34.9 1.0 OG B:SER42 3.5 40.2 1.0 C B:GLN349 3.7 37.2 1.0 CD B:GLU62 3.8 41.7 1.0 C B:SER42 3.8 39.9 1.0 CG2 B:ILE356 3.8 35.2 1.0 CA B:SER344 4.0 35.3 1.0 N B:SER344 4.1 35.1 1.0 CA B:SER42 4.1 39.5 1.0 CB B:GLU62 4.2 39.5 1.0 N B:GLN349 4.3 38.5 1.0 CA B:SER343 4.3 34.6 1.0 OE2 B:GLU62 4.4 43.2 1.0 C B:PRO350 4.4 34.7 1.0 O B:PRO350 4.4 34.6 1.0 CB B:SER42 4.4 40.0 1.0 CA B:GLN349 4.4 38.1 1.0 N B:PRO350 4.6 36.2 1.0 CG B:GLU62 4.6 41.0 1.0 CB B:GLN349 4.7 38.1 1.0 N B:ALA351 4.7 34.1 1.0 CA B:PRO350 4.7 35.4 1.0 CB B:SER344 4.8 34.9 1.0 CB B:SER343 4.9 34.2 1.0 N B:ARG43 4.9 40.2 1.0 CA B:ALA351 5.0 33.8 1.0

A.Rogowski, J.A.Briggs, J.C.Mortimer, T.Tryfona, N.Terrapon, E.C.Lowe, A.Basle, C.Morland, A.M.Day, H.Zheng, T.E.Rogers, P.Thompson, A.R.Hawkins, M.P.Yadav, B.Henrissat, E.C.Martens, P.Dupree, H.J.Gilbert, D.N.Bolam. Glycan Complexity Dictates Microbial Resource Allocation in the Large Intestine. Nat.Commun. V. 6 7481 2015.
ISSN: ISSN 2041-1723
PubMed: 26112186
DOI: 10.1038/NCOMMS8481