Calcium in PDB 7c9k: Crystal Structure of E84Q Mutant of Cntl in Complex with Sam

All present enzymatic activity of Crystal Structure of E84Q Mutant of Cntl in Complex with Sam:
2.5.1.152;

The structure of Crystal Structure of E84Q Mutant of Cntl in Complex with Sam, PDB code: 7c9k was solved by Z.Luo, H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.79 / 2.75
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	57.816, 133.21, 135.278, 90, 90, 90
R / Rfree (%)	25.9 / 28.6

The binding sites of Calcium atom in the Crystal Structure of E84Q Mutant of Cntl in Complex with Sam (pdb code 7c9k). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of E84Q Mutant of Cntl in Complex with Sam, PDB code: 7c9k:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of E84Q Mutant of Cntl in Complex with Sam


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of E84Q Mutant of Cntl in Complex with Sam within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:42.6 occ:0.50 OD1 A:ASP122 2.7 47.3 1.0 OD1 A:ASN121 2.7 51.4 1.0 OG1 A:THR119 3.2 50.2 1.0 CG A:ASP122 3.3 47.2 1.0 OD2 A:ASP122 3.4 47.3 1.0 CG A:ASN121 3.6 52.7 1.0 ND2 A:ASN121 3.9 53.5 1.0 CB A:THR119 4.6 51.2 1.0 CB A:ASP122 4.6 47.4 1.0 N A:ASP122 4.6 50.3 1.0 CA A:ASP122 4.9 48.6 1.0 CB A:ASN121 4.9 53.8 1.0 CG2 A:THR119 5.0 51.0 1.0 C A:ASN121 5.0 51.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of E84Q Mutant of Cntl in Complex with Sam


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of E84Q Mutant of Cntl in Complex with Sam within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:54.2 occ:0.50 OD1 B:ASP122 2.8 52.5 1.0 OD2 B:ASP122 3.5 51.8 1.0 CG B:ASP122 3.5 52.2 1.0 O B:ASN121 4.3 56.3 1.0 CB B:THR119 4.5 56.1 1.0 CB B:ASP122 4.9 52.6 1.0 C B:ASN121 5.0 56.9 1.0

Z.Luo, S.Luo, Y.Ju, P.Ding, J.Xu, Q.Gu, H.Zhou. Structural Insights Into the Ligand Recognition and Catalysis of the Key Aminobutanoyltransferase Cntl in Staphylopine Biosynthesis. Faseb J. V. 35 21575 2021.
ISSN: ESSN 1530-6860
PubMed: 33826776
DOI: 10.1096/FJ.202002287RR