Calcium in PDB 3wl4: N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus

The structure of N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus, PDB code: 3wl4 was solved by T.Nakamura, M.Niiyama, W.Hashimoto, K.Uegaki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.40 / 1.54
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	113.894, 113.894, 201.029, 90.00, 90.00, 120.00
R / Rfree (%)	15.4 / 16.9

The structure of N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus also contains other interesting chemical elements:

Cadmium	(Cd)	4 atoms
Chlorine	(Cl)	8 atoms

The binding sites of Calcium atom in the N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus (pdb code 3wl4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus, PDB code: 3wl4:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:17.0 occ:1.00 OD1 A:ASP265 2.2 23.2 1.0 O A:HOH565 2.3 35.4 1.0 O A:HOH564 2.3 30.3 1.0 O A:HOH563 2.4 22.9 1.0 OD2 A:ASP265 2.5 30.4 1.0 CG A:ASP265 2.8 23.2 1.0 CD2 A:LEU266 4.0 24.9 1.0 CB A:ASP265 4.3 18.9 1.0 O A:HOH406 4.4 19.5 1.0 CG A:LEU266 4.4 21.7 1.0 C A:ASP265 4.9 20.7 1.0 O A:PRO262 4.9 24.0 1.0 CA A:ASP265 5.0 19.2 1.0

Calcium binding site 2 out of 2 in the N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca303 b:16.9 occ:1.00 OD1 B:ASP265 2.2 23.1 1.0 O B:HOH555 2.3 35.5 1.0 O B:HOH556 2.3 29.2 1.0 O B:HOH554 2.4 22.1 1.0 OD2 B:ASP265 2.5 28.7 1.0 CG B:ASP265 2.8 23.0 1.0 CD2 B:LEU266 4.0 25.0 1.0 CB B:ASP265 4.3 19.5 1.0 O B:HOH404 4.4 20.0 1.0 CG B:LEU266 4.4 21.8 1.0 C B:ASP265 4.8 20.9 1.0 O B:PRO262 4.8 24.1 1.0 CA B:ASP265 5.0 19.7 1.0

S.Mine, M.Niiyama, W.Hashimoto, T.Ikegami, D.Koma, T.Ohmoto, Y.Fukuda, T.Inoue, Y.Abe, T.Ueda, J.Morita, K.Uegaki, T.Nakamura. Expression From Engineered Escherichia Coli Chromosome and Crystallographic Study of Archaeal N,N'-Diacetylchitobiose Deacetylase Febs J. V. 281 2584 2014.
ISSN: ISSN 1742-464X
PubMed: 24702737
DOI: 10.1111/FEBS.12805