Calcium in PDB 3ckb: B. Thetaiotaomicron Susd with Maltotriose

The structure of B. Thetaiotaomicron Susd with Maltotriose, PDB code: 3ckb was solved by N.M.Koropatkin, E.C.Martens, J.I.Gordon, T.J.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.50 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	61.690, 67.710, 83.290, 111.16, 92.94, 109.06
R / Rfree (%)	18 / 21.6

The binding sites of Calcium atom in the B. Thetaiotaomicron Susd with Maltotriose (pdb code 3ckb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the B. Thetaiotaomicron Susd with Maltotriose, PDB code: 3ckb:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the B. Thetaiotaomicron Susd with Maltotriose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of B. Thetaiotaomicron Susd with Maltotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca600 b:5.0 occ:1.00 OD1 A:ASP432 2.3 1.0 1.0 OD2 A:ASP273 2.4 1.0 1.0 O A:GLN288 2.4 3.3 1.0 O A:ASP430 2.4 1.8 1.0 O A:HOH1079 2.5 1.0 1.0 O A:HOH904 2.5 1.0 1.0 CG A:ASP432 3.2 3.5 1.0 CG A:ASP273 3.3 2.1 1.0 C A:GLN288 3.6 3.8 1.0 C A:ASP430 3.6 2.4 1.0 OD2 A:ASP432 3.6 6.0 1.0 OD1 A:ASP273 3.9 3.4 1.0 N A:GLN288 4.0 4.0 1.0 O A:HOH1062 4.0 6.8 1.0 N A:ASP432 4.2 1.0 1.0 CB A:ASP273 4.3 2.4 1.0 CA A:ASP430 4.3 3.2 1.0 CA A:GLN288 4.4 3.3 1.0 CB A:ASP430 4.4 3.3 1.0 CB A:ASP432 4.4 1.0 1.0 O A:ALA270 4.4 1.4 1.0 NH2 A:ARG287 4.5 1.0 1.0 N A:ASP289 4.5 4.2 1.0 C A:THR431 4.6 2.0 1.0 CA A:ASP432 4.6 1.7 1.0 CA A:ASP289 4.6 4.0 1.0 N A:THR431 4.6 1.0 1.0 OD1 A:ASP289 4.7 10.0 1.0 NE A:ARG287 4.8 1.1 1.0 CA A:THR431 4.8 2.2 1.0 CB A:ASP289 4.9 4.8 1.0 OD1 A:ASN272 4.9 2.5 1.0 CB A:GLN288 4.9 2.8 1.0

Calcium binding site 2 out of 2 in the B. Thetaiotaomicron Susd with Maltotriose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of B. Thetaiotaomicron Susd with Maltotriose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca700 b:4.8 occ:1.00 OD1 B:ASP432 2.3 3.2 1.0 O B:GLN288 2.4 2.8 1.0 O B:HOH1280 2.4 1.0 1.0 O B:ASP430 2.4 1.9 1.0 OD2 B:ASP273 2.4 7.4 1.0 O B:HOH1179 2.6 12.7 1.0 CG B:ASP273 3.3 8.8 1.0 CG B:ASP432 3.3 3.4 1.0 C B:GLN288 3.6 3.3 1.0 C B:ASP430 3.6 3.7 1.0 OD2 B:ASP432 3.8 2.4 1.0 OD1 B:ASP273 3.9 12.7 1.0 N B:GLN288 4.0 2.6 1.0 CB B:ASP273 4.2 6.8 1.0 N B:ASP432 4.3 2.1 1.0 CA B:ASP430 4.3 6.3 1.0 CA B:GLN288 4.4 2.8 1.0 CB B:ASP430 4.4 7.4 1.0 NH2 B:ARG287 4.5 4.0 1.0 OD2 B:ASP289 4.5 12.1 1.0 CB B:ASP432 4.5 1.0 1.0 N B:ASP289 4.5 4.3 1.0 C B:THR431 4.6 2.6 1.0 CA B:ASP289 4.6 5.6 1.0 N B:THR431 4.7 1.0 1.0 O B:ALA270 4.7 7.2 1.0 CA B:ASP432 4.7 1.2 1.0 NE B:ARG287 4.8 1.8 1.0 OD1 B:ASN272 4.9 2.7 1.0 CA B:THR431 4.9 1.5 1.0 CB B:GLN288 4.9 3.1 1.0 CB B:ASP289 5.0 6.7 1.0

N.M.Koropatkin, E.C.Martens, J.I.Gordon, T.J.Smith. Starch Catabolism By A Prominent Human Gut Symbiont Is Directed By the Recognition of Amylose Helices. Structure V. 16 1105 2008.
ISSN: ISSN 0969-2126
PubMed: 18611383
DOI: 10.1016/J.STR.2008.03.017