Calcium in PDB 3ckc: B. Thetaiotaomicron Susd

The structure of B. Thetaiotaomicron Susd, PDB code: 3ckc 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)	50.00 / 1.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	62.196, 68.056, 83.050, 111.09, 93.17, 109.17
R / Rfree (%)	19.2 / 21

The binding sites of Calcium atom in the B. Thetaiotaomicron Susd (pdb code 3ckc). 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, PDB code: 3ckc:
Jump to Calcium binding site number: 1; 2;

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca600 b:14.9 occ:1.00 O2 A:EDO907 2.3 19.5 1.0 O A:GLN288 2.3 10.5 1.0 O A:ASP430 2.3 11.4 1.0 OD1 A:ASP432 2.3 10.3 1.0 O A:HOH1002 2.5 10.8 1.0 O4 A:PEG800 2.7 18.8 1.0 C4 A:PEG800 3.0 20.9 1.0 C2 A:EDO907 3.1 23.5 1.0 CG A:ASP432 3.3 12.9 1.0 C A:GLN288 3.4 12.1 1.0 C A:ASP430 3.5 10.4 1.0 OD2 A:ASP273 3.5 18.4 1.0 CG A:ASP273 3.8 13.7 1.0 OD2 A:ASP432 3.9 12.6 1.0 N A:GLN288 3.9 9.8 1.0 N A:ASP432 4.0 8.9 1.0 O1 A:EDO907 4.0 26.8 1.0 C1 A:EDO907 4.2 25.4 1.0 CA A:ASP430 4.2 9.7 1.0 CA A:GLN288 4.2 10.9 1.0 OD1 A:ASP273 4.3 13.9 1.0 O A:HOH1107 4.4 21.0 1.0 CB A:ASP273 4.4 12.0 1.0 CB A:ASP430 4.4 9.9 1.0 C A:THR431 4.4 10.6 1.0 O A:ALA270 4.4 8.7 1.0 CB A:ASP432 4.4 10.5 1.0 C3 A:PEG800 4.4 22.1 1.0 CA A:ASP432 4.4 9.3 1.0 N A:ASP289 4.5 11.2 1.0 N A:THR431 4.5 9.3 1.0 CA A:ASP289 4.6 13.3 1.0 CB A:GLN288 4.6 11.8 1.0 CA A:THR431 4.7 9.6 1.0 OD1 A:ASN272 4.7 8.6 1.0 O A:THR431 5.0 10.8 1.0

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca700 b:18.6 occ:1.00 O2 B:EDO908 2.2 22.0 1.0 OD1 B:ASP432 2.3 10.6 1.0 O B:GLN288 2.3 12.7 1.0 O B:ASP430 2.3 12.7 1.0 O B:HOH1397 2.4 14.8 1.0 O4 B:PEG801 2.8 20.2 1.0 C4 B:PEG801 2.9 24.6 1.0 C2 B:EDO908 3.0 25.6 1.0 CG B:ASP432 3.3 12.4 1.0 C B:ASP430 3.5 10.4 1.0 C B:GLN288 3.5 12.5 1.0 OD2 B:ASP273 3.7 21.3 1.0 CG B:ASP273 3.9 17.2 1.0 OD2 B:ASP432 3.9 13.2 1.0 N B:GLN288 3.9 10.5 1.0 N B:ASP432 3.9 9.6 1.0 O1 B:EDO908 4.0 30.2 1.0 C1 B:EDO908 4.1 27.3 1.0 CA B:GLN288 4.2 10.5 1.0 CA B:ASP430 4.3 10.8 1.0 OD1 B:ASP273 4.3 18.3 1.0 C B:THR431 4.3 10.8 1.0 CB B:ASP430 4.3 12.5 1.0 O B:HOH1761 4.4 26.2 1.0 CB B:ASP432 4.4 11.2 1.0 CB B:ASP273 4.4 14.2 1.0 C3 B:PEG801 4.4 23.4 1.0 CA B:ASP432 4.4 9.8 1.0 O B:ALA270 4.4 10.8 1.0 N B:THR431 4.4 10.0 1.0 N B:ASP289 4.5 13.5 1.0 CA B:THR431 4.6 11.0 1.0 CB B:GLN288 4.6 11.5 1.0 CA B:ASP289 4.7 15.2 1.0 OD1 B:ASN272 4.7 11.2 1.0 O B:THR431 4.9 10.5 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