Chlorine in PDB 6fv4: The Structure of N-Acetyl-D-Glucosamine-6-Phosphate Deacetylase D267A Mutant From Mycobacterium Smegmatis in Complex with N-Acetyl-D- Glucosamine-6-Phosphate

Enzymatic activity of The Structure of N-Acetyl-D-Glucosamine-6-Phosphate Deacetylase D267A Mutant From Mycobacterium Smegmatis in Complex with N-Acetyl-D- Glucosamine-6-Phosphate

All present enzymatic activity of The Structure of N-Acetyl-D-Glucosamine-6-Phosphate Deacetylase D267A Mutant From Mycobacterium Smegmatis in Complex with N-Acetyl-D- Glucosamine-6-Phosphate:
3.5.1.25;

Protein crystallography data

The structure of The Structure of N-Acetyl-D-Glucosamine-6-Phosphate Deacetylase D267A Mutant From Mycobacterium Smegmatis in Complex with N-Acetyl-D- Glucosamine-6-Phosphate, PDB code: 6fv4 was solved by M.S.Ahangar, C.M.Furze, C.S.Guy, C.Cooper, K.S.Maskew, B.Graham, A.D.Cameron, E.Fullam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.56 / 1.97
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 164.766, 54.437, 110.262, 90.00, 123.22, 90.00
R / Rfree (%) 18.4 / 23.5

Other elements in 6fv4:

The structure of The Structure of N-Acetyl-D-Glucosamine-6-Phosphate Deacetylase D267A Mutant From Mycobacterium Smegmatis in Complex with N-Acetyl-D- Glucosamine-6-Phosphate also contains other interesting chemical elements:

Zinc (Zn) 2 atoms
Cadmium (Cd) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Structure of N-Acetyl-D-Glucosamine-6-Phosphate Deacetylase D267A Mutant From Mycobacterium Smegmatis in Complex with N-Acetyl-D- Glucosamine-6-Phosphate (pdb code 6fv4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Structure of N-Acetyl-D-Glucosamine-6-Phosphate Deacetylase D267A Mutant From Mycobacterium Smegmatis in Complex with N-Acetyl-D- Glucosamine-6-Phosphate, PDB code: 6fv4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6fv4

Go back to Chlorine Binding Sites List in 6fv4
Chlorine binding site 1 out of 2 in the The Structure of N-Acetyl-D-Glucosamine-6-Phosphate Deacetylase D267A Mutant From Mycobacterium Smegmatis in Complex with N-Acetyl-D- Glucosamine-6-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of N-Acetyl-D-Glucosamine-6-Phosphate Deacetylase D267A Mutant From Mycobacterium Smegmatis in Complex with N-Acetyl-D- Glucosamine-6-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:44.7
occ:1.00
ZN A:ZN401 2.2 42.4 1.0
CD A:CD403 2.7 35.5 1.0
N2 A:16G402 3.0 48.5 0.8
C7 A:16G402 3.3 48.8 0.8
C8 A:16G402 3.3 46.3 0.8
NE2 A:HIS56 3.4 33.4 1.0
NE2 A:HIS58 3.5 41.4 1.0
OE1 A:GLU122 3.5 39.0 1.0
CB A:ALA267 3.6 32.6 1.0
CD2 A:HIS209 3.6 30.7 1.0
NE2 A:HIS209 3.6 33.2 1.0
C2 A:16G402 3.8 43.3 0.8
CE1 A:HIS56 3.9 32.4 1.0
C1 A:16G402 3.9 43.2 0.8
OE2 A:GLU122 4.0 38.2 1.0
O7 A:16G402 4.1 53.1 0.8
CD A:GLU122 4.2 38.4 1.0
CD2 A:HIS58 4.2 34.3 1.0
O1 A:16G402 4.3 41.5 0.8
CD2 A:HIS56 4.5 30.8 1.0
CE1 A:HIS58 4.6 36.5 1.0
CA A:ALA267 4.7 29.0 1.0
O A:ALA267 4.9 33.4 1.0
CE1 A:HIS209 4.9 32.3 1.0
CG A:HIS209 4.9 27.1 1.0

Chlorine binding site 2 out of 2 in 6fv4

Go back to Chlorine Binding Sites List in 6fv4
Chlorine binding site 2 out of 2 in the The Structure of N-Acetyl-D-Glucosamine-6-Phosphate Deacetylase D267A Mutant From Mycobacterium Smegmatis in Complex with N-Acetyl-D- Glucosamine-6-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of N-Acetyl-D-Glucosamine-6-Phosphate Deacetylase D267A Mutant From Mycobacterium Smegmatis in Complex with N-Acetyl-D- Glucosamine-6-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:30.5
occ:1.00
ZN B:ZN401 2.2 27.0 1.0
CD B:CD403 2.6 27.8 1.0
CE1 B:HIS134 3.4 36.6 1.0
OE1 B:GLU122 3.5 32.7 1.0
O B:HOH579 3.6 31.3 1.0
CD2 B:HIS209 3.6 29.1 1.0
NE2 B:HIS134 3.6 29.8 1.0
NE2 B:HIS56 3.6 24.1 1.0
NE2 B:HIS58 3.6 30.8 1.0
NE2 B:HIS209 3.7 26.4 1.0
OE2 B:GLU122 3.7 33.1 1.0
CB B:ALA267 3.8 26.0 1.0
CD B:GLU122 4.0 30.7 1.0
CE1 B:HIS56 4.1 24.4 1.0
O B:HOH593 4.2 33.6 1.0
CD2 B:HIS58 4.2 26.7 1.0
CE B:MET269 4.5 29.6 0.4
CD2 B:HIS56 4.7 26.0 1.0
ND1 B:HIS134 4.7 41.4 1.0
CE1 B:HIS58 4.7 28.1 1.0
CG B:HIS209 4.9 25.4 1.0
CA B:ALA267 4.9 30.4 1.0
NE2 B:HIS188 4.9 22.8 1.0
O B:ALA267 4.9 27.8 1.0
CD2 B:HIS134 4.9 41.6 1.0
CE1 B:HIS209 5.0 27.9 1.0

Reference:

M.S.Ahangar, C.M.Furze, C.S.Guy, C.Cooper, K.S.Maskew, B.Graham, A.D.Cameron, E.Fullam. Structural and Functional Determination of Homologs of Themycobacterium Tuberculosis N-Acetylglucosamine-6-Phosphate Deacetylase (Naga). J. Biol. Chem. V. 293 9770 2018.
ISSN: ESSN 1083-351X
PubMed: 29728457
DOI: 10.1074/JBC.RA118.002597
Page generated: Sat Dec 12 12:59:57 2020

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