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Chlorine in PDB 1m03: Mutant Streptomyces Plicatus Beta-Hexosaminidase (D313A) in Complex with Product (Glcnac)

Enzymatic activity of Mutant Streptomyces Plicatus Beta-Hexosaminidase (D313A) in Complex with Product (Glcnac)

All present enzymatic activity of Mutant Streptomyces Plicatus Beta-Hexosaminidase (D313A) in Complex with Product (Glcnac):
3.2.1.52;

Protein crystallography data

The structure of Mutant Streptomyces Plicatus Beta-Hexosaminidase (D313A) in Complex with Product (Glcnac), PDB code: 1m03 was solved by S.J.Williams, B.L.Mark, D.J.Vocadlo, M.N.G.James, S.G.Withers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.37 / 1.90
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 132.903, 132.903, 176.944, 90.00, 90.00, 120.00
R / Rfree (%) 19.4 / 21.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mutant Streptomyces Plicatus Beta-Hexosaminidase (D313A) in Complex with Product (Glcnac) (pdb code 1m03). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Mutant Streptomyces Plicatus Beta-Hexosaminidase (D313A) in Complex with Product (Glcnac), PDB code: 1m03:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1m03

Go back to Chlorine Binding Sites List in 1m03
Chlorine binding site 1 out of 3 in the Mutant Streptomyces Plicatus Beta-Hexosaminidase (D313A) in Complex with Product (Glcnac)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mutant Streptomyces Plicatus Beta-Hexosaminidase (D313A) in Complex with Product (Glcnac) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl508

b:18.1
occ:1.00
OH A:TYR271 2.9 11.5 1.0
O A:HOH620 3.2 17.0 1.0
CD A:LYS275 3.5 22.3 1.0
CE1 A:TYR271 3.6 12.8 1.0
CZ A:TYR271 3.7 13.4 1.0
CG A:LYS275 4.0 21.6 1.0
CB A:LYS275 4.4 18.5 1.0
CA A:GLY273 4.6 15.0 1.0
CE A:LYS275 4.6 23.3 1.0
CD1 A:TYR271 4.9 13.5 1.0
N A:LYS275 5.0 17.0 1.0
N A:THR274 5.0 15.1 1.0

Chlorine binding site 2 out of 3 in 1m03

Go back to Chlorine Binding Sites List in 1m03
Chlorine binding site 2 out of 3 in the Mutant Streptomyces Plicatus Beta-Hexosaminidase (D313A) in Complex with Product (Glcnac)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mutant Streptomyces Plicatus Beta-Hexosaminidase (D313A) in Complex with Product (Glcnac) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl509

b:17.4
occ:1.00
O A:HOH639 3.1 25.4 1.0
NE A:ARG179 3.1 12.2 1.0
NH1 A:ARG176 3.2 13.5 1.0
NH2 A:ARG179 3.3 10.6 1.0
CZ A:ARG179 3.6 13.9 1.0
O A:ASP175 3.7 13.0 1.0
C A:ASP175 3.8 12.1 1.0
CD A:ARG176 3.8 12.6 1.0
O A:HOH540 3.9 14.5 1.0
CB A:ASP175 4.0 14.4 1.0
N A:ARG176 4.0 11.3 1.0
CA A:ARG176 4.1 11.4 1.0
CD A:ARG179 4.2 11.6 1.0
CZ A:ARG176 4.3 14.7 1.0
CD1 A:ILE495 4.5 14.9 1.0
NE A:ARG176 4.5 13.1 1.0
CA A:ASP175 4.5 12.7 1.0
CG A:ARG176 4.6 12.1 1.0
CG A:ARG179 4.7 10.2 1.0
NH2 A:ARG121 4.8 11.5 1.0
CB A:ARG176 4.9 11.9 1.0
NH1 A:ARG179 4.9 11.6 1.0
O A:ARG172 5.0 8.8 1.0

Chlorine binding site 3 out of 3 in 1m03

Go back to Chlorine Binding Sites List in 1m03
Chlorine binding site 3 out of 3 in the Mutant Streptomyces Plicatus Beta-Hexosaminidase (D313A) in Complex with Product (Glcnac)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mutant Streptomyces Plicatus Beta-Hexosaminidase (D313A) in Complex with Product (Glcnac) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl510

b:21.0
occ:0.50
N A:VAL276 3.2 14.9 1.0
CA A:LYS275 3.5 16.4 1.0
NZ A:LYS275 3.7 22.9 1.0
CB A:LYS275 3.7 18.5 1.0
CG2 A:VAL276 3.7 17.2 1.0
C A:LYS275 3.8 16.0 1.0
O A:VAL276 3.9 15.9 1.0
CG A:LYS275 4.1 21.6 1.0
CA A:VAL276 4.2 15.5 1.0
CB A:VAL276 4.5 16.2 1.0
C A:VAL276 4.5 16.8 1.0
CE A:LYS275 4.6 23.3 1.0
O A:THR274 4.8 19.0 1.0
N A:LYS275 4.8 17.0 1.0
CG1 A:VAL276 4.9 15.0 1.0
CD A:LYS275 5.0 22.3 1.0

Reference:

S.J.Williams, B.L.Mark, D.J.Vocadlo, M.N.James, S.G.Withers. Aspartate 313 in the Streptomyces Plicatus Hexosaminidase Plays A Critical Role in Substrate-Assisted Catalysis By Orienting the 2-Acetamido Group and Stabilizing the Transition State. J.Biol.Chem. V. 277 40055 2002.
ISSN: ISSN 0021-9258
PubMed: 12171933
DOI: 10.1074/JBC.M206481200
Page generated: Sat Dec 12 08:42:18 2020

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