Chlorine in PDB 4xm1: N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium

The structure of N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium, PDB code: 4xm1 was solved by T.Nakamura, M.Niiyama, W.Hashimoto, K.Ida, K.Uegaki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.13 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	74.353, 77.847, 93.511, 66.39, 84.70, 61.95
R / Rfree (%)	23.8 / 29

The structure of N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium also contains other interesting chemical elements:

Cadmium

(Cd)

8 atoms

The binding sites of Chlorine atom in the N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium (pdb code 4xm1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium, PDB code: 4xm1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:35.4 occ:1.00 CD A:CD302 2.5 37.7 1.0 CL C:CL304 3.4 43.0 1.0 OE1 A:GLU225 3.5 32.1 1.0 OE2 A:GLU225 3.7 32.3 1.0 CD A:GLU225 3.8 31.1 1.0 CL C:CL303 4.1 34.0 1.0

Chlorine binding site 2 out of 6 in the N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl303 b:34.0 occ:1.00 CD A:CD302 2.7 37.7 1.0 CL C:CL304 3.8 43.0 1.0 CG C:MET1 3.8 27.9 1.0 SD C:MET1 3.8 41.1 1.0 OE2 A:GLU225 3.9 32.3 1.0 CE C:MET1 4.1 41.4 1.0 CL A:CL304 4.1 35.4 1.0 CD A:GLU225 4.8 31.1 1.0 CB C:MET1 4.9 21.4 1.0 OE1 A:GLU225 4.9 32.1 1.0

Chlorine binding site 3 out of 6 in the N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl304 b:43.0 occ:1.00 CD A:CD302 2.3 37.7 1.0 CG C:MET1 3.3 27.9 1.0 CL A:CL304 3.4 35.4 1.0 SD C:MET1 3.6 41.1 1.0 CL C:CL303 3.8 34.0 1.0 OE1 A:GLU225 3.9 32.1 1.0 CB C:MET1 4.8 21.4 1.0 CD A:GLU225 4.8 31.1 1.0 OE2 A:GLU225 4.9 32.3 1.0 N C:MET1 5.0 27.1 1.0

Chlorine binding site 4 out of 6 in the N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl304 b:36.3 occ:1.00 CD D:CD302 2.2 31.7 1.0 OE1 D:GLU225 3.3 23.5 1.0 OE2 D:GLU225 3.4 14.6 1.0 CL F:CL304 3.5 39.0 1.0 CD D:GLU225 3.7 11.1 1.0 CL F:CL303 4.0 40.6 1.0 O D:HOH401 4.9 42.9 1.0 CG D:GLU225 5.0 25.8 1.0

Chlorine binding site 5 out of 6 in the N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl303 b:40.6 occ:1.00 CD D:CD302 2.5 31.7 1.0 SD F:MET1 3.5 32.3 1.0 CG F:MET1 3.7 27.4 1.0 CL F:CL304 3.8 39.0 1.0 OE2 D:GLU225 3.8 14.6 1.0 CL D:CL304 4.0 36.3 1.0 CD D:GLU225 4.7 11.1 1.0 CE F:MET1 4.8 27.8 1.0 OE1 D:GLU225 4.8 23.5 1.0 CB F:MET1 4.8 31.0 1.0

Chlorine binding site 6 out of 6 in the N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus in the Presence of Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl304 b:39.0 occ:1.00 CD D:CD302 2.5 31.7 1.0 CE F:MET1 3.3 27.8 1.0 CL D:CL304 3.5 36.3 1.0 CG F:MET1 3.6 27.4 1.0 SD F:MET1 3.7 32.3 1.0 CL F:CL303 3.8 40.6 1.0 OE1 D:GLU225 4.1 23.5 1.0 CB F:MET1 4.9 31.0 1.0 OE2 D:GLU225 5.0 14.6 1.0 N F:MET1 5.0 31.5 1.0

T.Nakamura, M.Niiyama, W.Hashimoto, K.Ida, M.Abe, J.Morita, K.Uegaki. Multiple Crystal Forms of N,N'-Diacetylchitobiose Deacetylase From Pyrococcus Furiosus Acta Crystallogr.,Sect.F V. 71 657 2015.
ISSN: ESSN 2053-230X
DOI: 10.1107/S2053230X15005695