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

Protein crystallography data

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

Other elements in 3wl4:

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

Chlorine Binding Sites:

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 3wl4

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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 3wl4

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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 3wl4

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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 3wl4

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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 3wl4

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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 3wl4

Go back to Chlorine Binding Sites List in 3wl4
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 3wl4

Go back to Chlorine Binding Sites List in 3wl4
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 3wl4

Go back to Chlorine Binding Sites List in 3wl4
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

Reference:

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
Page generated: Sun Jul 21 07:33:55 2024

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