Calcium in PDB 2awy: Met-Dcrh-Hr

The structure of Met-Dcrh-Hr, PDB code: 2awy was solved by C.E.Isaza, R.Silaghi-Dumitrescu, R.B.Iyer, D.M.Kurtz, M.K.Chan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	33.160, 44.846, 47.538, 92.76, 103.49, 90.00
R / Rfree (%)	22.1 / 28

The structure of Met-Dcrh-Hr also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Calcium atom in the Met-Dcrh-Hr (pdb code 2awy). 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 Met-Dcrh-Hr, PDB code: 2awy:

Calcium binding site 1 out of 1 in the Met-Dcrh-Hr


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Met-Dcrh-Hr within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca205 b:63.2 occ:1.00 OD2 B:ASP50 2.4 38.4 1.0 OE2 A:GLU87 2.5 45.6 1.0 O A:HOH244 2.6 47.3 1.0 CG B:ASP50 3.3 36.8 1.0 CD A:GLU87 3.3 44.6 1.0 OD1 B:ASP50 3.5 39.5 1.0 OE1 A:GLU87 3.6 45.6 1.0 NZ B:LYS53 3.6 40.5 1.0 O A:HOH230 3.9 41.1 1.0 CE B:LYS53 4.4 34.6 1.0 ND2 B:ASN54 4.5 30.5 1.0 CG A:GLU87 4.5 43.8 1.0 CB B:ASP50 4.6 32.2 1.0 OD1 B:ASN54 4.7 34.8 1.0 OE2 B:GLU93 4.7 46.1 1.0 O A:HOH231 4.7 47.3 1.0

C.E.Isaza, R.Silaghi-Dumitrescu, R.B.Iyer, D.M.Kurtz, M.K.Chan. Structural Basis For O(2) Sensing By the Hemerythrin-Like Domain of A Bacterial Chemotaxis Protein: Substrate Tunnel and Fluxional N Terminus Biochemistry V. 45 9023 2006.
ISSN: ISSN 0006-2960
PubMed: 16866347
DOI: 10.1021/BI0607812