Calcium in PDB 7uwv: CBM74 From Ruminococcus Bromii SAS6 with Maltodecaose

The structure of CBM74 From Ruminococcus Bromii SAS6 with Maltodecaose, PDB code: 7uwv was solved by A.L.Photenhauer, N.M.Koropatkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.04 / 1.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.69, 160.071, 67.858, 90, 90, 90
R / Rfree (%)	17.3 / 19.8

The structure of CBM74 From Ruminococcus Bromii SAS6 with Maltodecaose also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the CBM74 From Ruminococcus Bromii SAS6 with Maltodecaose (pdb code 7uwv). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the CBM74 From Ruminococcus Bromii SAS6 with Maltodecaose, PDB code: 7uwv:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the CBM74 From Ruminococcus Bromii SAS6 with Maltodecaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of CBM74 From Ruminococcus Bromii SAS6 with Maltodecaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:20.4 occ:1.00 OD1 A:ASP294 2.3 19.8 1.0 O A:ALA295 2.3 21.1 1.0 OD1 A:ASP278 2.3 19.7 1.0 OD2 A:ASP530 2.3 19.9 1.0 O A:VAL275 2.4 21.1 1.0 O A:HOH898 2.4 21.4 1.0 CG A:ASP278 3.3 20.3 1.0 CG A:ASP530 3.4 20.7 1.0 C A:ALA295 3.5 20.3 1.0 CG A:ASP294 3.6 20.0 1.0 N A:ALA295 3.6 19.9 1.0 C A:VAL275 3.6 21.5 1.0 OD2 A:ASP278 3.6 20.9 1.0 OD1 A:ASP530 3.8 20.7 1.0 C A:ASP294 3.9 20.2 1.0 CA A:ALA295 4.1 20.2 1.0 CA A:ASP294 4.1 20.1 1.0 N A:VAL275 4.2 21.8 1.0 OD2 A:ASP294 4.4 19.8 1.0 CB A:ASP294 4.4 19.8 1.0 N A:ALA276 4.5 21.0 1.0 CA A:ALA276 4.5 21.1 1.0 O A:ASP294 4.5 20.6 1.0 N A:TYR296 4.6 20.3 1.0 N A:ASP278 4.6 19.8 1.0 CA A:VAL275 4.6 22.1 1.0 CB A:ALA295 4.6 20.3 1.0 CB A:ASP278 4.6 19.9 1.0 CB A:ASP530 4.7 20.5 1.0 N A:ASN277 4.8 20.5 1.0 C A:ALA276 4.8 20.6 1.0 CA A:TYR296 4.9 20.5 1.0 N A:ASP279 4.9 19.9 1.0 C A:ASP278 4.9 19.8 1.0 CG2 A:VAL275 4.9 23.4 1.0 CA A:ASP278 5.0 19.9 1.0

Calcium binding site 2 out of 3 in the CBM74 From Ruminococcus Bromii SAS6 with Maltodecaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of CBM74 From Ruminococcus Bromii SAS6 with Maltodecaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:21.4 occ:1.00 OD1 A:ASP558 2.4 21.8 1.0 OG A:SER527 2.4 21.1 1.0 OE1 A:GLU555 2.4 22.1 1.0 O A:GLY528 2.4 21.4 1.0 O A:GLU555 2.4 22.2 1.0 OD2 A:ASP560 2.4 22.9 1.0 OD1 A:ASP560 2.6 23.3 1.0 CG A:ASP560 2.9 23.4 1.0 C A:GLU555 3.4 21.8 1.0 CB A:SER527 3.4 21.5 1.0 CG A:ASP558 3.5 22.5 1.0 C A:GLY528 3.5 21.7 1.0 CD A:GLU555 3.6 22.0 1.0 CA A:GLU555 3.7 21.6 1.0 N A:GLY528 3.7 21.9 1.0 CA A:CA703 3.8 21.3 1.0 CB A:GLU555 3.9 21.7 1.0 OD2 A:ASP558 3.9 21.3 1.0 CA A:GLY528 4.0 21.6 1.0 C A:SER527 4.1 21.6 1.0 CA A:SER527 4.3 21.3 1.0 CG A:GLU555 4.3 22.2 1.0 CB A:ASP560 4.4 23.2 1.0 O A:ASP558 4.4 23.3 1.0 OE2 A:GLU555 4.6 22.3 1.0 N A:LYS556 4.6 22.1 1.0 N A:MET529 4.7 20.9 1.0 N A:ASP558 4.7 22.7 1.0 O A:SER537 4.7 21.1 1.0 O A:SER527 4.7 21.2 1.0 CB A:ASP558 4.7 22.7 1.0 C A:ASP558 4.8 23.5 1.0 CA A:ASP558 4.9 23.2 1.0

Calcium binding site 3 out of 3 in the CBM74 From Ruminococcus Bromii SAS6 with Maltodecaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of CBM74 From Ruminococcus Bromii SAS6 with Maltodecaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca703 b:21.3 occ:1.00 O A:SER537 2.2 21.1 1.0 OD2 A:ASP558 2.3 21.3 1.0 OD1 A:ASP540 2.4 25.6 1.0 OD1 A:ASP560 2.4 23.3 1.0 O A:HOH1078 2.4 23.6 1.0 OE2 A:GLU555 2.5 22.3 1.0 OE1 A:GLU555 2.6 22.1 1.0 CD A:GLU555 2.9 22.0 1.0 CG A:ASP558 3.3 22.5 1.0 C A:SER537 3.4 21.6 1.0 CG A:ASP540 3.5 27.1 1.0 OD1 A:ASP558 3.5 21.8 1.0 CG A:ASP560 3.5 23.4 1.0 CA A:CA702 3.8 21.4 1.0 OD2 A:ASP540 3.9 29.9 1.0 CA A:SER537 4.2 21.9 1.0 OD2 A:ASP560 4.4 22.9 1.0 CG A:GLU555 4.4 22.2 1.0 N A:MET538 4.4 21.4 1.0 CB A:ASP560 4.4 23.2 1.0 N A:ASP540 4.4 23.8 1.0 O A:ILE559 4.4 23.4 1.0 CA A:ASP560 4.4 23.2 1.0 C A:MET538 4.5 21.8 1.0 N A:GLN541 4.5 25.0 1.0 CA A:MET538 4.5 21.6 1.0 CB A:SER537 4.6 22.8 1.0 CB A:ASP558 4.7 22.7 1.0 CB A:ASP540 4.7 25.9 1.0 N A:LEU539 4.7 21.7 1.0 NE2 A:GLN541 4.7 33.1 1.0 O A:MET538 4.8 22.2 1.0 N A:ASP560 4.8 23.1 1.0 CB A:GLN541 4.8 27.6 1.0 C A:ILE559 4.8 23.1 1.0 CG A:GLN541 4.9 30.0 1.0 CA A:ASP540 5.0 24.9 1.0

A.L.Photenhauer, F.Cerqueira, R.Villafuerte-Vega, T.Chen, K.Armbruster, F.Marecek, Z.Wawrzak, J.Hopkins, S.Janecek, B.Ruotolo, C.Vander Kooi, N.M.Koropatkin. The Structure of Starch-Binding Protein SAS6 From Ruminococcus Bromii Reveals That CBM74 and CBM26 Cooperate to Bind Resistant Starch To Be Published.