Calcium in PDB 9fcl: Cysg(N-16) in Complex with Sam From Kitasatospora Cystarginea

The structure of Cysg(N-16) in Complex with Sam From Kitasatospora Cystarginea, PDB code: 9fcl 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 / 1.75
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	101.54, 101.54, 49.86, 90, 90, 90
R / Rfree (%)	15.7 / 19.9

The binding sites of Calcium atom in the Cysg(N-16) in Complex with Sam From Kitasatospora Cystarginea (pdb code 9fcl). 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 Cysg(N-16) in Complex with Sam From Kitasatospora Cystarginea, PDB code: 9fcl:

Calcium binding site 1 out of 1 in the Cysg(N-16) in Complex with Sam From Kitasatospora Cystarginea


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cysg(N-16) in Complex with Sam From Kitasatospora Cystarginea within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca902 b:58.1 occ:1.00 O A:HOH1026 2.0 59.3 1.0 O A:HOH1074 2.2 55.9 1.0 NE2 A:HIS122 2.3 31.8 1.0 O A:HOH1059 2.5 43.4 1.0 OD1 A:ASP191 2.5 45.5 1.0 NE2 A:HIS123 2.5 39.4 1.0 CE1 A:HIS123 3.1 39.6 1.0 CE1 A:HIS122 3.2 28.9 1.0 CD2 A:HIS122 3.3 31.1 1.0 CG A:ASP191 3.4 40.0 1.0 CD2 A:HIS123 3.6 36.8 1.0 OD2 A:ASP191 3.7 47.4 1.0 OE1 A:GLN151 4.1 33.9 1.0 ND1 A:HIS123 4.2 37.0 1.0 ND1 A:HIS122 4.4 25.8 1.0 CG A:HIS122 4.5 26.7 1.0 CG A:HIS123 4.5 34.7 1.0 CB A:ASP191 4.7 38.1 1.0 O A:LEU119 4.8 26.3 1.0 O A:ARG187 4.8 54.4 1.0 CD A:GLN151 4.9 30.6 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