Calcium in PDB 3pee: Structure of the C. Difficile Tcdb Cysteine Protease Domain

The structure of Structure of the C. Difficile Tcdb Cysteine Protease Domain, PDB code: 3pee was solved by P.J.Lupardus, K.C.Garcia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.66 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	128.110, 45.710, 87.350, 90.00, 103.48, 90.00
R / Rfree (%)	19.2 / 24

The binding sites of Calcium atom in the Structure of the C. Difficile Tcdb Cysteine Protease Domain (pdb code 3pee). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of the C. Difficile Tcdb Cysteine Protease Domain, PDB code: 3pee:

Calcium binding site 1 out of 1 in the Structure of the C. Difficile Tcdb Cysteine Protease Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the C. Difficile Tcdb Cysteine Protease Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca255 b:30.1 occ:1.00 O A:HOH307 2.4 32.4 1.0 O32 B:IHP256 2.4 22.0 1.0 O23 A:IHP255 2.4 31.4 1.0 O23 B:IHP256 2.5 25.2 1.0 O32 A:IHP255 2.5 27.3 1.0 O B:HOH282 2.7 34.0 1.0 O42 B:IHP256 3.2 27.8 1.0 O42 A:IHP255 3.2 30.1 1.0 P2 B:IHP256 3.3 23.3 1.0 P2 A:IHP255 3.4 29.7 1.0 P3 A:IHP255 3.5 31.9 1.0 P3 B:IHP256 3.6 26.5 1.0 O13 A:IHP255 3.8 31.2 1.0 O43 A:IHP255 3.8 26.1 1.0 O13 B:IHP256 3.9 24.5 1.0 O43 B:IHP256 4.0 28.6 1.0 O12 B:IHP256 4.3 23.4 1.0 O12 A:IHP255 4.3 32.3 1.0 O22 B:IHP256 4.5 23.8 1.0 NZ A:LYS221 4.5 24.1 1.0 NZ B:LYS221 4.5 22.7 1.0 O22 A:IHP255 4.6 27.0 1.0 O B:HOH341 4.6 38.3 1.0 O A:HOH372 4.6 46.9 1.0 O B:HOH340 4.6 34.0 1.0 C2 B:IHP256 4.7 27.1 1.0 C2 A:IHP255 4.8 25.4 1.0 O33 A:IHP255 4.8 24.3 1.0 O33 B:IHP256 4.9 30.9 1.0 C3 B:IHP256 4.9 23.0 1.0 O B:HOH296 4.9 42.0 1.0 O B:HOH339 4.9 43.6 1.0 C3 A:IHP255 4.9 18.8 1.0 O A:HOH362 5.0 45.4 1.0

A.Shen, P.J.Lupardus, M.M.Gersch, A.W.Puri, V.E.Albrow, K.C.Garcia, M.Bogyo. Defining An Allosteric Circuit in the Cysteine Protease Domain of Clostridium Difficile Toxins. Nat.Struct.Mol.Biol. V. 18 364 2011.
ISSN: ISSN 1545-9993
PubMed: 21317893
DOI: 10.1038/NSMB.1990