Calcium in PDB 7dl7: The Wild-Type Structure of 3,5-Dahdhcca

All present enzymatic activity of The Wild-Type Structure of 3,5-Dahdhcca:
1.4.1.11;

The structure of The Wild-Type Structure of 3,5-Dahdhcca, PDB code: 7dl7 was solved by N.Liu, L.Wu, D.M.Zhu, J.H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.98 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	89.604, 89.889, 123.693, 87.33, 70.97, 80.56
R / Rfree (%)	22.6 / 25.7

The structure of The Wild-Type Structure of 3,5-Dahdhcca also contains other interesting chemical elements:

Chlorine

(Cl)

8 atoms

The binding sites of Calcium atom in the The Wild-Type Structure of 3,5-Dahdhcca (pdb code 7dl7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Wild-Type Structure of 3,5-Dahdhcca, PDB code: 7dl7:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Wild-Type Structure of 3,5-Dahdhcca


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Wild-Type Structure of 3,5-Dahdhcca within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca405 b:59.9 occ:1.00 CB D:MET96 3.0 49.0 1.0 ND2 D:ASN47 3.0 58.5 1.0 C D:MET96 3.4 50.3 1.0 CB D:ASN47 3.5 46.9 1.0 O D:MET96 3.6 51.7 1.0 N D:PHE97 3.6 52.1 1.0 CA D:MET96 3.6 47.7 1.0 CG D:ASN47 3.7 55.9 1.0 CD1 D:ILE98 4.2 47.4 1.0 N D:MET96 4.2 47.3 1.0 O D:PHE97 4.2 47.0 1.0 CG D:MET96 4.2 57.4 1.0 CA D:PHE97 4.3 49.1 1.0 C D:PHE97 4.3 50.9 1.0 SD D:MET96 4.5 71.4 1.0 CD2 D:LEU173 4.5 48.2 1.0 O D:SER122 4.5 46.7 1.0 CA D:ASN47 4.7 51.0 1.0 N D:ASN47 4.8 47.7 1.0 CG1 D:ILE98 4.8 52.0 1.0 O D:ASN47 4.8 53.3 1.0 OD1 D:ASN47 4.9 55.5 1.0

Calcium binding site 2 out of 2 in the The Wild-Type Structure of 3,5-Dahdhcca


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Wild-Type Structure of 3,5-Dahdhcca within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca407 b:64.1 occ:1.00 CB G:MET96 2.9 44.3 1.0 ND2 G:ASN47 3.4 59.6 1.0 C G:MET96 3.4 46.6 1.0 N G:PHE97 3.5 43.2 1.0 CA G:MET96 3.7 51.0 1.0 O G:MET96 3.8 49.5 1.0 O G:PHE97 3.8 46.8 1.0 C G:PHE97 4.0 48.2 1.0 CB G:ASN47 4.1 54.8 1.0 CA G:PHE97 4.1 45.9 1.0 CD1 G:ILE98 4.1 54.5 1.0 CG G:ASN47 4.1 58.1 1.0 CG G:MET96 4.1 48.0 1.0 CG1 G:ILE98 4.3 44.0 1.0 SD G:MET96 4.4 64.5 1.0 O G:SER122 4.4 43.6 1.0 N G:MET96 4.5 46.9 1.0 N G:ILE98 4.7 50.0 1.0 CB G:ALA121 4.9 35.7 1.0 OG G:SER122 4.9 37.4 1.0

N.Liu, L.Wu, J.Feng, X.Sheng, J.Li, X.Chen, J.Li, W.Liu, J.Zhou, Q.Wu, D.Zhu. Crystal Structures and Catalytic Mechanism of L-Erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering For Asymmetric Synthesis of Beta-Amino Acids. Angew.Chem.Int.Ed.Engl. V. 60 10203 2021.
ISSN: ESSN 1521-3773
PubMed: 33624917
DOI: 10.1002/ANIE.202017225