Chlorine in PDB 3o77: The Structure of CA2+ Sensor (Case-16)

All present enzymatic activity of The Structure of CA2+ Sensor (Case-16):
2.7.11.18;

The structure of The Structure of CA2+ Sensor (Case-16), PDB code: 3o77 was solved by L.Leder, W.Stark, F.Freuler, M.Marsh, M.Meyerhofer, T.Stettler, L.M.Mayr, O.V.Britanova, L.A.Strukova, D.M.Chudakov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.01 / 2.35
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	92.499, 106.941, 43.265, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 27.4

The structure of The Structure of CA2+ Sensor (Case-16) also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the The Structure of CA2+ Sensor (Case-16) (pdb code 3o77). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the The Structure of CA2+ Sensor (Case-16), PDB code: 3o77:

Chlorine binding site 1 out of 1 in the The Structure of CA2+ Sensor (Case-16)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of CA2+ Sensor (Case-16) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl422 b:0.8 occ:1.00 NE2 A:HIS47 2.8 25.4 1.0 O A:HOH546 2.9 0.2 1.0 CE1 A:HIS59 3.4 23.5 1.0 NE2 A:HIS59 3.4 23.6 1.0 CE1 A:HIS47 3.5 28.2 1.0 CB A:ALA57 3.6 28.1 1.0 O A:THR183 3.9 21.9 1.0 CD2 A:HIS47 3.9 30.4 1.0 CA A:THR183 4.0 21.7 1.0 CE1 A:PHE224 4.0 24.9 1.0 CZ A:PHE224 4.2 24.9 1.0 OG1 A:THR186 4.2 24.7 1.0 CG2 A:ILE45 4.2 27.6 1.0 O A:PRO182 4.2 26.3 1.0 C A:THR183 4.3 21.8 1.0 CB A:ILE45 4.3 28.2 1.0 O A:HOH425 4.3 0.7 1.0 CG2 A:ILE222 4.4 20.5 1.0 CB A:THR183 4.6 22.0 1.0 ND1 A:HIS59 4.7 20.9 1.0 CG1 A:ILE45 4.7 30.5 1.0 CD1 A:ILE222 4.8 18.9 1.0 ND1 A:HIS47 4.8 30.2 1.0 CD2 A:HIS59 4.8 21.9 1.0 CD1 A:ILE45 4.9 37.7 1.0 CG2 A:THR186 4.9 16.7 1.0 CG A:HIS47 5.0 30.8 1.0

L.Leder, W.Stark, F.Freuler, M.Marsh, M.Meyerhofer, T.Stettler, L.M.Mayr, O.V.Britanova, L.A.Strukova, D.M.Chudakov, E.A.Souslova. The Structure of CA2+ Sensor CASE16 Reveals the Mechanism of Reaction to Low CA2+ Concentrations Sensors (Basel) V. 10 8143 2010.
ISSN: ESSN 1424-8220
PubMed: 22163646
DOI: 10.3390/S100908143