Calcium in PDB 7rc3: Aeronamide N-Methyltransferase, Aere (Y137F)

The structure of Aeronamide N-Methyltransferase, Aere (Y137F), PDB code: 7rc3 was solved by D.P.Cogan, R.Reyes, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.52 / 1.53
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.697, 77.697, 152.239, 90, 90, 120
R / Rfree (%)	16.4 / 18.4

The structure of Aeronamide N-Methyltransferase, Aere (Y137F) also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Calcium atom in the Aeronamide N-Methyltransferase, Aere (Y137F) (pdb code 7rc3). 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 Aeronamide N-Methyltransferase, Aere (Y137F), PDB code: 7rc3:

Calcium binding site 1 out of 1 in the Aeronamide N-Methyltransferase, Aere (Y137F)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Aeronamide N-Methyltransferase, Aere (Y137F) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca406 b:21.0 occ:1.00 O A:ILE28 2.6 16.6 1.0 O3 A:PG4402 2.8 23.4 1.0 O A:HOH851 2.8 37.1 1.0 O2 A:PG4402 2.8 23.9 1.0 O4 A:PG4402 2.8 27.4 1.0 O5 A:PG4402 2.9 38.0 1.0 O A:HOH501 3.0 38.7 1.0 O1 A:PG4402 3.4 38.2 1.0 C4 A:PG4402 3.5 24.3 1.0 C5 A:PG4402 3.6 27.0 1.0 C7 A:PG4402 3.7 30.8 1.0 C3 A:PG4402 3.7 28.0 1.0 C6 A:PG4402 3.7 26.7 1.0 C1 A:PG4402 3.7 25.5 1.0 C A:ILE28 3.8 15.7 1.0 C8 A:PG4402 3.8 27.9 1.0 C2 A:PG4402 3.9 24.2 1.0 CG2 A:ILE28 4.4 17.6 1.0 CA A:VAL29 4.5 14.4 1.0 N A:VAL29 4.6 14.1 1.0 CA A:ILE28 4.7 14.9 1.0 C A:VAL29 4.9 17.9 1.0 O A:VAL29 4.9 16.4 1.0

D.P.Cogan, A.Bhushan, R.Reyes, L.Zhu, J.Piel, S.K.Nair. Structure and Mechanism For Iterative Amide N -Methylation in the Biosynthesis of Channel-Forming Peptide Cytotoxins. Proc.Natl.Acad.Sci.Usa V. 119 78119 2022.
ISSN: ESSN 1091-6490
PubMed: 35316135
DOI: 10.1073/PNAS.2116578119