Chlorine in PDB 8u49: The Apo Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9

Enzymatic activity of The Apo Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9

All present enzymatic activity of The Apo Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9:
3.2.1.4;

Protein crystallography data

The structure of The Apo Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9, PDB code: 8u49 was solved by E.A.Araujo, I.Polikarpov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.87 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 133.571, 67.406, 100.916, 90, 125.06, 90
R / Rfree (%) 17.3 / 20.7

Other elements in 8u49:

The structure of The Apo Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 also contains other interesting chemical elements:

Calcium (Ca) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Apo Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 (pdb code 8u49). 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 The Apo Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9, PDB code: 8u49:

Chlorine binding site 1 out of 1 in 8u49

Go back to Chlorine Binding Sites List in 8u49
Chlorine binding site 1 out of 1 in the The Apo Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Apo Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl703

b:41.6
occ:1.00
 N A:ALA564 3.3 20.9 1.0
O A:HOH1133 3.3 27.2 1.0
N A:SER563 3.3 19.9 1.0
CA A:GLY561 3.6 16.3 1.0
CB A:SER563 3.6 27.8 1.0
C A:GLY561 3.7 22.9 1.0
N A:GLN562 3.7 18.6 1.0
CA A:SER563 3.8 24.3 1.0
CB A:ALA564 3.9 19.3 1.0
C A:SER563 3.9 29.2 1.0
O A:HOH897 4.0 40.5 1.0
CA A:ALA564 4.1 21.9 1.0
O A:GLY561 4.3 18.6 1.0
C A:GLN562 4.4 23.8 1.0
O A:GLY560 4.5 18.4 1.0
N A:GLY561 4.5 19.0 1.0
OG A:SER563 4.6 40.0 1.0
CA A:GLN562 4.6 19.3 1.0
C A:GLY560 4.9 21.5 1.0

Reference:

E.A.De Araujo, A.A.Cortez, V.O.A.Pellegrini, M.M.Vacilotto, A.F.Cruz, P.R.Batista, I.Polikarpov. Molecular Mechanism of Cellulose Depolymerization By the Two-Domain BLCEL9A Enzyme From the Glycoside Hydrolase Family 9. Carbohydr Polym V. 329 21739 2024.
ISSN: ESSN 1879-1344
PubMed: 38286536
DOI: 10.1016/J.CARBPOL.2023.121739
Page generated: Tue Jul 30 13:02:30 2024

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