Calcium in PDB 2g4i: Anomalous Substructure of Concanavalin A

The structure of Anomalous Substructure of Concanavalin A, PDB code: 2g4i was solved by C.Mueller-Dieckmann, M.S.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.40
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.640, 86.050, 88.450, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 26

The structure of Anomalous Substructure of Concanavalin A also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Chlorine	(Cl)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Calcium atom in the Anomalous Substructure of Concanavalin A (pdb code 2g4i). 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 Anomalous Substructure of Concanavalin A, PDB code: 2g4i:

Calcium binding site 1 out of 1 in the Anomalous Substructure of Concanavalin A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Anomalous Substructure of Concanavalin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca242 b:51.3 occ:1.00 O A:TYR12 2.3 41.7 1.0 OD2 A:ASP10 2.5 38.8 1.0 OD2 A:ASP19 2.5 33.4 1.0 OD1 A:ASN14 2.5 36.9 1.0 O A:HOH255 2.6 39.2 1.0 OD1 A:ASP10 2.7 37.9 1.0 CG A:ASP10 2.9 41.1 1.0 C A:TYR12 3.5 41.6 1.0 CG A:ASN14 3.6 37.8 1.0 CG A:ASP19 3.7 40.6 1.0 N A:ASN14 4.0 41.2 1.0 OD1 A:ASP19 4.2 38.4 1.0 CB A:ASN14 4.2 40.4 1.0 CA A:TYR12 4.3 40.9 1.0 O A:HOH250 4.4 34.0 1.0 MN A:MN241 4.4 51.6 1.0 CB A:TYR12 4.4 40.6 1.0 N A:TYR12 4.4 41.1 1.0 CB A:ASP10 4.4 40.5 1.0 N A:PRO13 4.5 42.0 1.0 O A:ASP208 4.5 40.7 1.0 CA A:PRO13 4.6 42.4 1.0 ND2 A:ASN14 4.6 31.3 1.0 C A:PRO13 4.7 41.9 1.0 CB A:ARG228 4.7 40.9 1.0 CA A:ASN14 4.8 40.8 1.0 CE1 A:HIS24 4.8 40.4 1.0 CA A:ARG228 4.8 41.4 1.0 OD1 A:ASP208 4.8 44.3 1.0 O A:ARG228 4.8 41.3 1.0 CB A:ASP19 4.9 42.2 1.0 NE2 A:HIS24 5.0 45.6 1.0 CD1 A:TYR12 5.0 39.6 1.0

C.Mueller-Dieckmann, S.Panjikar, A.Schmidt, S.Mueller, J.Kuper, A.Geerlof, M.Wilmanns, R.K.Singh, P.A.Tucker, M.S.Weiss. On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part IV. Efficient Determination of Anomalous Substructures in Biomacromolecules Using Longer X-Ray Wavelengths. Acta Crystallogr.,Sect.D V. 63 366 2007.
ISSN: ISSN 0907-4449
PubMed: 17327674
DOI: 10.1107/S0907444906055624