Calcium in PDB 4dok: Crystal Structure of Arabidopsis Thaliana Chalcone-Isomerase Like Protein AT5G05270 (Atchil)

The structure of Crystal Structure of Arabidopsis Thaliana Chalcone-Isomerase Like Protein AT5G05270 (Atchil), PDB code: 4dok was solved by J.P.Noel, G.V.Louie, M.E.Bowman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.22 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.997, 65.869, 70.245, 90.00, 117.15, 90.00
R / Rfree (%)	19.2 / 21.9

The binding sites of Calcium atom in the Crystal Structure of Arabidopsis Thaliana Chalcone-Isomerase Like Protein AT5G05270 (Atchil) (pdb code 4dok). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Arabidopsis Thaliana Chalcone-Isomerase Like Protein AT5G05270 (Atchil), PDB code: 4dok:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Arabidopsis Thaliana Chalcone-Isomerase Like Protein AT5G05270 (Atchil)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Arabidopsis Thaliana Chalcone-Isomerase Like Protein AT5G05270 (Atchil) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:19.0 occ:1.00 OE2 A:GLU121 2.3 13.0 1.0 O A:HOH475 2.4 25.5 1.0 OE2 A:GLU122 2.6 25.3 1.0 OE1 A:GLU121 2.6 14.4 1.0 O A:HOH479 2.6 28.8 1.0 CD A:GLU121 2.8 11.9 1.0 OE1 A:GLU122 2.8 19.3 1.0 CD A:GLU122 3.0 22.4 1.0 CA A:CA302 4.0 12.2 1.0 CG A:GLU121 4.3 11.8 1.0 CG A:GLU122 4.5 16.0 1.0 O A:HOH408 4.6 17.7 1.0 CB A:GLU120 4.6 18.0 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Arabidopsis Thaliana Chalcone-Isomerase Like Protein AT5G05270 (Atchil)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Arabidopsis Thaliana Chalcone-Isomerase Like Protein AT5G05270 (Atchil) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:12.2 occ:1.00 OE2 A:GLU121 2.4 13.0 1.0 CD A:GLU121 3.4 11.9 1.0 CG A:GLU121 3.9 11.8 1.0 CA A:CA301 4.0 19.0 1.0 OE2 A:GLU122 4.3 25.3 1.0 OE1 A:GLU121 4.4 14.4 1.0 CD A:GLU122 4.7 22.4 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Arabidopsis Thaliana Chalcone-Isomerase Like Protein AT5G05270 (Atchil)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Arabidopsis Thaliana Chalcone-Isomerase Like Protein AT5G05270 (Atchil) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:3.7 occ:0.50 O B:HOH483 2.3 22.6 1.0 O B:ACT302 2.3 22.3 1.0 OE2 B:GLU120 2.5 14.6 1.0 OE1 B:GLU120 2.7 13.1 1.0 CD B:GLU120 2.9 12.1 1.0 C B:ACT302 3.5 23.2 1.0 CH3 B:ACT302 4.1 26.0 1.0 O B:HOH455 4.3 16.2 1.0 CG B:GLU120 4.4 12.0 1.0 OXT B:ACT302 4.5 20.2 1.0 O B:HOH428 4.7 15.9 1.0

M.N.Ngaki, G.V.Louie, R.N.Philippe, G.Manning, F.Pojer, M.E.Bowman, L.Li, E.Larsen, E.S.Wurtele, J.P.Noel. Evolution of the Chalcone-Isomerase Fold From Fatty-Acid Binding to Stereospecific Catalysis. Nature V. 485 530 2012.
ISSN: ISSN 0028-0836
PubMed: 22622584
DOI: 10.1038/NATURE11009