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Calcium in PDB 3h2w: Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellobiose

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

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

Protein crystallography data

The structure of Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellobiose, PDB code: 3h2w was solved by S.Morera, A.Vigouroux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.92 / 2.66
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 84.892, 129.398, 48.965, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 25.4

Other elements in 3h2w:

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

Cobalt (Co) 2 atoms
Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellobiose (pdb code 3h2w). 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 Cellobiose, PDB code: 3h2w:

Calcium binding site 1 out of 1 in 3h2w

Go back to Calcium Binding Sites List in 3h2w
Calcium binding site 1 out of 1 in the Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellobiose


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 Cellobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca538

b:26.4
occ:1.00
 OD2 A:ASP302 2.1 31.0 1.0
OE2 A:GLU308 2.2 23.7 1.0
O A:GLU304 2.3 23.5 1.0
O A:ALA344 2.3 20.4 1.0
OD2 A:ASP307 2.5 18.8 1.0
OD1 A:ASP307 2.5 18.1 1.0
OE1 A:GLU308 2.6 25.2 1.0
CD A:GLU308 2.7 22.8 1.0
CG A:ASP307 2.8 20.1 1.0
CG A:ASP302 3.1 27.0 1.0
OD1 A:ASP302 3.4 29.5 1.0
C A:ALA344 3.5 20.7 1.0
C A:GLU304 3.5 23.7 1.0
CG A:GLU308 4.2 21.8 1.0
CB A:ASP307 4.3 21.1 1.0
N A:ASP345 4.4 20.5 1.0
CA A:ASP345 4.4 20.5 1.0
CB A:GLU304 4.4 23.5 1.0
N A:LEU305 4.4 23.3 1.0
CB A:ASP302 4.4 24.7 1.0
CA A:ALA344 4.4 20.7 1.0
CA A:GLU304 4.4 23.6 1.0
CA A:LEU305 4.5 23.5 1.0
CG A:GLU304 4.7 23.3 1.0
CB A:ALA344 4.8 20.1 1.0
N A:GLU308 4.8 21.3 1.0
OD2 A:ASP345 4.8 25.4 1.0
CG2 A:VAL346 4.9 17.1 1.0
N A:GLU304 4.9 23.6 1.0
N A:ASP307 5.0 21.6 1.0
N A:VAL346 5.0 18.9 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: Tue Jul 8 12:51:16 2025

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