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Zinc 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:

Calcium (Ca) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc was determined in the Structure of A. Acidocaldarius Cellulase Cela in Complex with Cellotetraose, PDB code: 3h3k:

Zinc binding site 1 out of 1 in 3h3k

Go back to Zinc Binding Sites List in 3h3k
Zinc 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 Zinc with other atoms in the Zn 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:Zn539

b:26.6
occ:1.00
 NE2 A:HIS142 2.1 22.5 1.0
ND1 A:HIS122 2.1 34.3 1.0
SG A:CYS104 2.2 25.8 1.0
SG A:CYS121 2.5 33.7 1.0
CE1 A:HIS122 3.0 33.9 1.0
CE1 A:HIS142 3.0 22.3 1.0
CB A:CYS104 3.1 26.0 1.0
CD2 A:HIS142 3.1 22.1 1.0
CG A:HIS122 3.2 35.1 1.0
CB A:CYS121 3.4 35.0 1.0
CA A:CYS104 3.4 26.0 1.0
CB A:HIS122 3.7 36.0 1.0
O A:CYS121 3.8 34.9 1.0
C A:CYS121 3.8 35.4 1.0
N A:GLY105 4.0 28.4 1.0
NE2 A:HIS122 4.1 33.3 1.0
ND1 A:HIS142 4.2 21.7 1.0
N A:HIS122 4.2 36.0 1.0
CA A:CYS121 4.2 35.1 1.0
C A:CYS104 4.2 27.1 1.0
CG A:HIS142 4.2 21.8 1.0
CD2 A:HIS122 4.3 33.7 1.0
CA A:HIS122 4.6 36.3 1.0
N A:CYS104 4.6 25.2 1.0
O A:HOH657 4.8 34.6 1.0
O A:LEU103 4.8 23.9 1.0
N A:CYS121 4.8 35.4 1.0
CB A:PRO228 5.0 42.7 1.0
O A:HOH548 5.0 31.5 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: Thu Oct 24 14:12:24 2024

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