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Chlorine in PDB 6tdg: Crystal Structure of Aspergillus Fumigatus Glucosamine-6-Phosphate N- Acetyltransferase 1 in Complex with Compound 2

Enzymatic activity of Crystal Structure of Aspergillus Fumigatus Glucosamine-6-Phosphate N- Acetyltransferase 1 in Complex with Compound 2

All present enzymatic activity of Crystal Structure of Aspergillus Fumigatus Glucosamine-6-Phosphate N- Acetyltransferase 1 in Complex with Compound 2:
2.3.1.4;

Protein crystallography data

The structure of Crystal Structure of Aspergillus Fumigatus Glucosamine-6-Phosphate N- Acetyltransferase 1 in Complex with Compound 2, PDB code: 6tdg was solved by O.G.Raimi, M.Stanley, D.Lockhart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.69 / 1.74
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 70.210, 101.200, 56.370, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 23.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Aspergillus Fumigatus Glucosamine-6-Phosphate N- Acetyltransferase 1 in Complex with Compound 2 (pdb code 6tdg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Aspergillus Fumigatus Glucosamine-6-Phosphate N- Acetyltransferase 1 in Complex with Compound 2, PDB code: 6tdg:

Chlorine binding site 1 out of 1 in 6tdg

Go back to Chlorine Binding Sites List in 6tdg
Chlorine binding site 1 out of 1 in the Crystal Structure of Aspergillus Fumigatus Glucosamine-6-Phosphate N- Acetyltransferase 1 in Complex with Compound 2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Aspergillus Fumigatus Glucosamine-6-Phosphate N- Acetyltransferase 1 in Complex with Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:28.4
occ:0.50
 CL1 A:N3W202 0.0 28.4 0.5
CAD A:N3W202 1.7 25.9 0.5
CAE A:N3W202 2.6 25.2 0.5
NAM A:N3W202 2.8 27.7 0.5
CAC A:N3W202 2.8 24.5 0.5
CAG A:N3W202 3.2 25.6 0.5
NAH A:N3W202 3.4 25.1 0.5
CD A:GLU115 3.6 28.3 1.0
CG A:GLU115 3.7 26.1 1.0
NE2 A:HIS127 3.7 25.5 1.0
OE1 A:GLU115 3.8 27.2 1.0
CAF A:N3W202 3.9 24.4 0.5
CAB A:N3W202 4.0 25.0 0.5
CB A:GLU115 4.0 28.2 1.0
OE2 A:GLU115 4.0 31.3 1.0
CD2 A:HIS127 4.1 26.1 1.0
NAK A:N3W202 4.2 25.0 0.5
CE1 A:HIS127 4.3 25.6 1.0
NAI A:N3W202 4.4 24.8 0.5
CAA A:N3W202 4.5 22.6 0.5
CG A:HIS127 4.8 22.8 1.0
ND1 A:HIS127 4.9 27.4 1.0
CAJ A:N3W202 4.9 24.5 0.5

Reference:

D.Lockhart, M.Stanley, O.G.Raimi, D.Robinson, D.Boldovjakova, D.Squair, A.T.Ferenbach, W.Fang, D.M.F.Van Aalten. Targeting A Critical Step in Fungal Hexosamine Biosynthesis J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
Page generated: Mon Jul 29 15:23:38 2024

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