Chlorine 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
Calcium	(Ca)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 8 binding sites of Chlorine where determined in the N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus, PDB code: 3wl4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus


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 (Se-Derivative) From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:19.3 occ:1.00 O A:HOH524 3.0 30.5 1.0 O1 A:HEZ310 3.2 33.8 1.0 NE A:ARG153 3.3 13.0 1.0 NE A:ARG152 3.3 15.4 1.0 NH2 A:ARG152 3.4 15.6 1.0 O6 A:TAM308 3.4 19.4 0.3 C6 A:TAM308 3.6 14.4 0.3 C1 A:HEZ310 3.7 23.2 1.0 CG A:ARG153 3.8 12.7 1.0 CZ A:ARG152 3.8 16.3 1.0 CB A:PRO149 3.8 12.7 1.0 CA A:PRO149 3.9 12.3 1.0 C2 A:HEZ310 4.0 26.9 1.0 CD A:ARG153 4.1 12.5 1.0 O A:PRO149 4.2 13.1 1.0 CZ A:ARG153 4.2 12.5 1.0 NH2 A:ARG153 4.2 14.1 1.0 O A:HOH463 4.2 25.4 1.0 CB A:ARG152 4.3 13.8 1.0 CD A:ARG152 4.4 15.3 1.0 C A:PRO149 4.6 12.9 1.0 N A:ARG153 4.9 13.0 1.0 CG A:ARG152 4.9 14.6 1.0

Chlorine binding site 2 out of 8 in the N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus


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 (Se-Derivative) From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:20.4 occ:1.00 CD A:CD302 2.5 20.9 1.0 OE1 A:GLU225 3.7 22.3 1.0 CL A:CL307 3.9 23.3 1.0 CL A:CL306 4.0 22.5 1.0 OE2 A:GLU225 4.6 17.5 1.0 CD A:GLU225 4.6 19.2 1.0

Chlorine binding site 3 out of 8 in the N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus


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 (Se-Derivative) From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:22.5 occ:1.00 CD A:CD302 2.6 20.9 1.0 OE2 A:GLU225 3.4 17.5 1.0 OE1 A:GLU225 3.6 22.3 1.0 CL A:CL307 3.7 23.3 1.0 CD A:GLU225 3.7 19.2 1.0 CL A:CL305 4.0 20.4 1.0 O A:HOH479 4.9 32.5 1.0

Chlorine binding site 4 out of 8 in the N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus


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 (Se-Derivative) From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:23.3 occ:1.00 CD A:CD302 2.6 20.9 1.0 CL A:CL306 3.7 22.5 1.0 CL A:CL305 3.9 20.4 1.0 OE2 A:GLU225 4.0 17.5 1.0 CD A:GLU225 4.9 19.2 1.0

Chlorine binding site 5 out of 8 in the N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus


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 (Se-Derivative) From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:19.2 occ:1.00 O6 B:HEZ312 3.2 32.5 1.0 NE B:ARG152 3.3 15.4 1.0 NE B:ARG153 3.3 12.9 1.0 NH2 B:ARG152 3.4 14.9 1.0 O6 B:TAM308 3.6 16.6 0.3 CB B:PRO149 3.8 12.5 1.0 C6 B:HEZ312 3.8 22.5 1.0 CG B:ARG153 3.8 13.1 1.0 CZ B:ARG152 3.8 14.6 1.0 CA B:PRO149 3.9 12.5 1.0 C5 B:HEZ312 4.0 25.5 1.0 CD B:ARG153 4.0 12.2 1.0 O B:PRO149 4.2 13.7 1.0 O B:HOH531 4.2 25.9 1.0 CZ B:ARG153 4.2 12.6 1.0 NH2 B:ARG153 4.2 14.6 1.0 CB B:ARG152 4.3 13.6 1.0 CD B:ARG152 4.4 16.4 1.0 C B:PRO149 4.6 13.3 1.0 C6 B:TAM308 4.7 25.0 0.3 N B:ARG153 4.9 12.7 1.0 CG B:ARG152 4.9 15.2 1.0

Chlorine binding site 6 out of 8 in the N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus


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 (Se-Derivative) From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:22.2 occ:1.00 CD B:CD302 2.6 20.9 1.0 OE2 B:GLU225 3.5 17.7 1.0 OE1 B:GLU225 3.7 23.8 1.0 CL B:CL306 3.7 23.4 1.0 CD B:GLU225 3.7 17.9 1.0 CL B:CL307 4.0 20.4 1.0 O B:HOH483 4.9 32.1 1.0

Chlorine binding site 7 out of 8 in the N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:23.4 occ:1.00 CD B:CD302 2.6 20.9 1.0 CL B:CL305 3.7 22.2 1.0 OE2 B:GLU225 3.9 17.7 1.0 CL B:CL307 4.0 20.4 1.0 CD B:GLU225 4.9 17.9 1.0

Chlorine binding site 8 out of 8 in the N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of N,N'-Diacetylchitobiose Deacetylase (Se-Derivative) From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:20.4 occ:1.00 CD B:CD302 2.5 20.9 1.0 OE1 B:GLU225 3.7 23.8 1.0 CL B:CL305 4.0 22.2 1.0 CL B:CL306 4.0 23.4 1.0 OE2 B:GLU225 4.6 17.7 1.0 CD B:GLU225 4.6 17.9 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