Calcium in PDB 6gw9: Concanavalin A Structure Determined with Data From the Euxfel, the First Mhz Free Electron Laser

The structure of Concanavalin A Structure Determined with Data From the Euxfel, the First Mhz Free Electron Laser, PDB code: 6gw9 was solved by M.L.Gruenbein, A.Gorel, M.Stricker, R.Bean, J.Bielecki, K.Doerner, E.Hartmann, M.Hilpert, M.Kloos, R.Letrun, J.Sztuk-Dambietz, A.Mancuso, M.Meserschmidt, G.Nass-Kovacs, M.Ramilli, C.M.Roome, T.Sato, R.B.Doak, R.L.Shoeman, L.Foucar, J.P.Colletier, T.R.M.Barends, C.Stan, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 2.10
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	63.800, 88.100, 90.200, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 23.8

The structure of Concanavalin A Structure Determined with Data From the Euxfel, the First Mhz Free Electron Laser also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Concanavalin A Structure Determined with Data From the Euxfel, the First Mhz Free Electron Laser (pdb code 6gw9). 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 Concanavalin A Structure Determined with Data From the Euxfel, the First Mhz Free Electron Laser, PDB code: 6gw9:

Calcium binding site 1 out of 1 in the Concanavalin A Structure Determined with Data From the Euxfel, the First Mhz Free Electron Laser


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Concanavalin A Structure Determined with Data From the Euxfel, the First Mhz Free Electron Laser within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:20.9 occ:1.00 O A:HOH446 2.4 15.6 1.0 O A:TYR12 2.4 24.0 1.0 OD2 A:ASP19 2.5 23.9 1.0 O A:HOH448 2.5 19.4 1.0 OD1 A:ASP10 2.5 22.0 1.0 OD1 A:ASN14 2.5 24.0 1.0 OD2 A:ASP10 2.5 18.1 1.0 CG A:ASP10 2.8 25.1 1.0 CG A:ASN14 3.6 35.5 1.0 C A:TYR12 3.6 24.1 1.0 CG A:ASP19 3.7 31.7 1.0 N A:ASN14 3.9 21.2 1.0 CB A:ASN14 4.1 24.1 1.0 MG A:MG301 4.2 21.8 1.0 OD1 A:ASP19 4.3 22.8 1.0 CB A:ASP10 4.4 19.0 1.0 O A:HOH418 4.5 22.9 1.0 CA A:TYR12 4.5 20.3 1.0 N A:TYR12 4.5 21.8 1.0 N A:PRO13 4.6 27.9 1.0 CB A:TYR12 4.6 18.2 1.0 CA A:PRO13 4.7 28.4 1.0 CA A:ASN14 4.7 22.1 1.0 C A:PRO13 4.7 27.2 1.0 ND2 A:ASN14 4.7 25.0 1.0 O A:ASP208 4.8 18.2 1.0 CB A:ASP19 4.8 23.7 1.0 CE1 A:HIS24 4.8 25.5 1.0 O A:ARG228 4.8 23.7 1.0 CB A:ARG228 4.9 24.4 1.0 OD1 A:ASP208 5.0 22.8 1.0 CA A:ARG228 5.0 20.0 1.0

M.L.Grunbein, J.Bielecki, A.Gorel, M.Stricker, R.Bean, M.Cammarata, K.Dorner, L.Frohlich, E.Hartmann, S.Hauf, M.Hilpert, Y.Kim, M.Kloos, R.Letrun, M.Messerschmidt, G.Mills, G.Nass Kovacs, M.Ramilli, C.M.Roome, T.Sato, M.Scholz, M.Sliwa, J.Sztuk-Dambietz, M.Weik, B.Weinhausen, N.Al-Qudami, D.Boukhelef, S.Brockhauser, W.Ehsan, M.Emons, S.Esenov, H.Fangohr, A.Kaukher, T.Kluyver, M.Lederer, L.Maia, M.Manetti, T.Michelat, A.Munnich, F.Pallas, G.Palmer, G.Previtali, N.Raab, A.Silenzi, J.Szuba, S.Venkatesan, K.Wrona, J.Zhu, R.B.Doak, R.L.Shoeman, L.Foucar, J.P.Colletier, A.P.Mancuso, T.R.M.Barends, C.A.Stan, I.Schlichting. Megahertz Data Collection From Protein Microcrystals at An X-Ray Free-Electron Laser. Nat Commun V. 9 3487 2018.
ISSN: ESSN 2041-1723
PubMed: 30154468
DOI: 10.1038/S41467-018-05953-4