Sodium in PDB 8u4f: Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellohexaose

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

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

Protein crystallography data

The structure of Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellohexaose, PDB code: 8u4f 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) 49.12 / 2.01
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 133.505, 67.641, 100.64, 90, 124.83, 90
R / Rfree (%) 17.8 / 22.7

Other elements in 8u4f:

The structure of Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellohexaose also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Calcium (Ca) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellohexaose (pdb code 8u4f). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellohexaose, PDB code: 8u4f:

Sodium binding site 1 out of 1 in 8u4f

Go back to Sodium Binding Sites List in 8u4f
Sodium binding site 1 out of 1 in the Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellohexaose


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of BLCEL9A From Glycoside Hydrolase Family 9 in Complex with Cellohexaose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na709

b:37.5
occ:1.00
 OD1 A:ASN396 2.3 26.2 1.0
O A:HOH1394 2.7 27.1 1.0
O A:HOH1027 3.1 11.5 1.0
CG A:ASN396 3.3 26.1 1.0
NE2 A:HIS377 3.4 21.5 1.0
CE1 A:HIS377 3.5 18.9 1.0
CG A:LYS376 3.7 22.8 1.0
O A:HOH834 3.7 29.5 1.0
CB A:LYS376 3.8 20.6 1.0
CB A:ASN396 3.8 23.0 1.0
O A:HOH1248 4.2 31.4 1.0
ND2 A:ASN396 4.4 24.8 1.0
CD2 A:HIS377 4.4 21.3 1.0
ND1 A:HIS377 4.4 18.7 1.0
CA A:ASN396 4.5 22.9 1.0
O A:LYS376 4.9 16.5 1.0
CG A:HIS377 4.9 19.9 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: Wed Oct 9 13:50:54 2024

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