Chlorine in PDB 8u4a: Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellotriose

Enzymatic activity of Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellotriose

All present enzymatic activity of Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellotriose:
3.2.1.4;

Protein crystallography data

The structure of Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellotriose, PDB code: 8u4a 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) 49.19 / 1.97
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 133.114, 67.178, 100.838, 90, 125, 90
R / Rfree (%) 14.9 / 18.8

Other elements in 8u4a:

The structure of Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellotriose 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 Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellotriose (pdb code 8u4a). 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 BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellotriose, PDB code: 8u4a:

Chlorine binding site 1 out of 1 in 8u4a

Go back to Chlorine Binding Sites List in 8u4a
Chlorine binding site 1 out of 1 in the Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellotriose


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 BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl705

b:35.5
occ:1.00
 O A:HOH1008 2.4 30.1 1.0
N A:ALA564 3.1 16.3 1.0
N A:SER563 3.3 17.1 1.0
O A:HOH1185 3.4 27.2 1.0
CB A:SER563 3.6 23.4 1.0
CA A:GLY561 3.7 17.4 1.0
C A:GLY561 3.7 19.0 1.0
N A:GLN562 3.7 20.2 1.0
CA A:SER563 3.7 20.2 1.0
CB A:ALA564 3.8 14.3 1.0
C A:SER563 3.8 21.6 1.0
O A:HOH997 3.8 23.1 1.0
O A:HOH1345 3.9 40.6 1.0
CA A:ALA564 4.0 15.7 1.0
O A:GLY561 4.3 15.9 1.0
C A:GLN562 4.3 24.2 1.0
O A:GLY560 4.4 19.0 1.0
OG A:SER563 4.5 35.6 1.0
CA A:GLN562 4.6 20.6 1.0
N A:GLY561 4.6 16.9 1.0
C A:GLY560 4.9 17.7 1.0
O A:SER563 5.0 23.4 1.0
O A:HOH1471 5.0 40.6 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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