Calcium in PDB 7rc4: Aeronamide N-Methyltransferase, Aere (D141A)

The structure of Aeronamide N-Methyltransferase, Aere (D141A), PDB code: 7rc4 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)	40.41 / 1.66
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.595, 77.595, 151.734, 90, 90, 120
R / Rfree (%)	17 / 18.8

The structure of Aeronamide N-Methyltransferase, Aere (D141A) also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Calcium atom in the Aeronamide N-Methyltransferase, Aere (D141A) (pdb code 7rc4). 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 (D141A), PDB code: 7rc4:

Calcium binding site 1 out of 1 in the Aeronamide N-Methyltransferase, Aere (D141A)


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 (D141A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:24.4 occ:1.00 O A:ILE28 2.6 17.5 1.0 O4 A:PG4405 2.8 29.7 1.0 O3 A:PG4405 2.8 27.8 1.0 O A:HOH506 2.8 43.6 1.0 O2 A:PG4405 2.9 26.1 1.0 O A:HOH798 2.9 42.0 1.0 O5 A:PG4405 2.9 40.7 1.0 C4 A:PG4405 3.4 27.2 1.0 O1 A:PG4405 3.5 39.5 1.0 C5 A:PG4405 3.6 28.4 1.0 C7 A:PG4405 3.7 30.5 1.0 C6 A:PG4405 3.7 28.0 1.0 C3 A:PG4405 3.7 26.0 1.0 C8 A:PG4405 3.8 28.3 1.0 C A:ILE28 3.8 18.1 1.0 C1 A:PG4405 3.9 29.6 1.0 C2 A:PG4405 3.9 29.0 1.0 CG2 A:ILE28 4.4 23.9 1.0 CA A:VAL29 4.5 17.3 1.0 N A:VAL29 4.6 15.4 1.0 CA A:ILE28 4.7 14.4 1.0 O A:VAL29 4.9 18.2 1.0 C A:VAL29 4.9 20.2 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