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Calcium in PDB 3h3k: Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellotetraose

Enzymatic activity of Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellotetraose

All present enzymatic activity of Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellotetraose:
3.2.1.4;

Protein crystallography data

The structure of Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellotetraose, PDB code: 3h3k was solved by S.Morera, K.Eckert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.22 / 2.10
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 85.090, 129.300, 49.130, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 21.7

Other elements in 3h3k:

The structure of Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellotetraose also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellotetraose (pdb code 3h3k). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellotetraose, PDB code: 3h3k:

Calcium binding site 1 out of 1 in 3h3k

Go back to Calcium Binding Sites List in 3h3k
Calcium binding site 1 out of 1 in the Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellotetraose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca538

b:19.8
occ:1.00
 OD2 A:ASP302 2.3 27.3 1.0
O A:HOH594 2.3 24.8 1.0
O A:GLU304 2.3 22.0 1.0
O A:ALA344 2.4 17.7 1.0
OE2 A:GLU308 2.4 26.0 1.0
OD1 A:ASP307 2.6 21.7 1.0
OD2 A:ASP307 2.6 21.6 1.0
OE1 A:GLU308 2.6 27.3 1.0
CD A:GLU308 2.9 23.8 1.0
CG A:ASP307 2.9 20.8 1.0
CG A:ASP302 3.2 26.2 1.0
C A:GLU304 3.5 22.6 1.0
OD1 A:ASP302 3.5 25.9 1.0
C A:ALA344 3.6 17.6 1.0
O A:HOH588 4.3 27.6 1.0
CA A:ASP345 4.3 17.8 1.0
N A:ASP345 4.4 17.6 1.0
CA A:LEU305 4.4 21.4 1.0
N A:LEU305 4.4 21.5 1.0
CB A:GLU304 4.4 23.8 1.0
CG A:GLU308 4.4 22.2 1.0
CB A:ASP307 4.4 20.0 1.0
CA A:GLU304 4.5 23.5 1.0
O A:HOH593 4.5 27.7 1.0
CG A:GLU304 4.5 25.8 1.0
CA A:ALA344 4.6 17.6 1.0
CB A:ASP302 4.6 25.0 1.0
OD2 A:ASP345 4.7 21.6 1.0
N A:GLU308 4.8 19.8 1.0
O A:HOH576 4.8 21.9 1.0
N A:GLU304 4.9 23.8 1.0
N A:VAL346 4.9 16.9 1.0
CD2 A:LEU305 5.0 21.1 1.0
C A:LEU305 5.0 21.0 1.0

Reference:

K.Eckert, A.Vigouroux, L.Lo Leggio, S.Morera. Crystal Structures of A. Acidocaldarius Endoglucanase CEL9A in Complex with Cello-Oligosaccharides: Strong -1 and -2 Subsites Mimic Cellobiohydrolase Activity J.Mol.Biol. V. 394 61 2009.
ISSN: ISSN 0022-2836
PubMed: 19729024
DOI: 10.1016/J.JMB.2009.08.060
Page generated: Sat Jul 13 10:52:20 2024

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