Sodium in PDB 9fcq: Cysg(N-16)-H122A Mutant in Complex with Sah From Kitasatospora Cystarginea

The structure of Cysg(N-16)-H122A Mutant in Complex with Sah From Kitasatospora Cystarginea, PDB code: 9fcq was solved by W.Kuttenlochner, P.Beller, L.Kaysser, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.40
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	100.01, 100.01, 49.72, 90, 90, 90
R / Rfree (%)	16.9 / 19.7

The structure of Cysg(N-16)-H122A Mutant in Complex with Sah From Kitasatospora Cystarginea also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Sodium atom in the Cysg(N-16)-H122A Mutant in Complex with Sah From Kitasatospora Cystarginea (pdb code 9fcq). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Cysg(N-16)-H122A Mutant in Complex with Sah From Kitasatospora Cystarginea, PDB code: 9fcq:

Sodium binding site 1 out of 1 in the Cysg(N-16)-H122A Mutant in Complex with Sah From Kitasatospora Cystarginea


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Cysg(N-16)-H122A Mutant in Complex with Sah From Kitasatospora Cystarginea within 5.0Å range: probe atom residue distance (Å) B Occ A:Na911 b:44.3 occ:1.00 O A:HOH1068 2.3 33.1 1.0 OE1 A:GLU84 2.5 26.2 1.0 CA A:GLU84 3.6 18.5 1.0 CD A:GLU84 3.7 23.6 1.0 CB A:GLU84 3.7 20.5 1.0 CD A:ARG87 4.1 26.7 1.0 N A:GLU84 4.1 18.0 1.0 NE A:ARG87 4.2 28.5 1.0 CG A:GLU84 4.2 21.4 1.0 O A:GLN80 4.3 17.9 1.0 CB A:ARG87 4.7 22.9 1.0 OE2 A:GLU84 4.7 25.2 1.0 C A:LEU83 4.7 17.5 1.0 O A:LEU83 4.8 19.7 1.0 C A:GLU84 4.9 18.3 1.0 CG A:ARG87 5.0 25.2 1.0 O A:HOH1135 5.0 48.1 1.0

W.Kuttenlochner, P.Beller, L.Kaysser, M.Groll. Deciphering the Sam- and Metal-Dependent Mechanism of O-Methyltransferases in Cystargolide and Belactosin Biosynthesis: A Structure-Activity Relationship Study. J.Biol.Chem. 07646 2024.
ISSN: ESSN 1083-351X
PubMed: 39121999
DOI: 10.1016/J.JBC.2024.107646