Chlorine 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
Calcium	(Ca)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Anomalous Substructure of Concanavalin A (pdb code 2g4i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Anomalous Substructure of Concanavalin A, PDB code: 2g4i:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Anomalous Substructure of Concanavalin A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Anomalous Substructure of Concanavalin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl244 b:55.3 occ:0.85 N A:SER223 3.7 44.4 1.0 CA A:PRO222 4.0 42.1 1.0 C A:PRO222 4.4 42.9 1.0 CB A:SER223 4.4 45.5 1.0 CB A:PRO222 4.5 41.6 1.0 CA A:SER223 4.7 45.3 1.0 O A:ILE221 4.9 39.0 1.0

Chlorine binding site 2 out of 3 in the Anomalous Substructure of Concanavalin A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Anomalous Substructure of Concanavalin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl245 b:51.8 occ:0.75 N A:LYS39 3.7 41.8 1.0 CA A:ALA38 4.0 40.4 1.0 C A:ALA38 4.4 41.0 1.0 CB A:LYS39 4.4 42.7 1.0 OH A:TYR22 4.4 47.0 1.0 CB A:ALA38 4.5 39.6 1.0 CA A:LYS39 4.6 42.4 1.0 O A:THR37 4.7 37.9 1.0

Chlorine binding site 3 out of 3 in the Anomalous Substructure of Concanavalin A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Anomalous Substructure of Concanavalin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl246 b:40.6 occ:0.65 O A:HOH269 3.5 41.9 1.0 N A:LEU142 3.6 39.9 1.0 O A:LEU142 3.9 38.6 1.0 CB A:LEU142 4.3 38.8 1.0 O A:LEU140 4.4 38.5 1.0 CA A:ILE141 4.4 39.6 1.0 CA A:LEU142 4.4 39.8 1.0 C A:ILE141 4.5 39.4 1.0 C A:LEU142 4.6 40.3 1.0 CG A:LEU142 4.8 39.8 1.0 CG2 A:ILE141 4.9 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