Chlorine in PDB 3s18: Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination

The structure of Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination, PDB code: 3s18 was solved by U.Sharma, C.G.Suresh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.30 / 2.20
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	81.917, 81.917, 69.591, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / 22.3

The structure of Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination also contains other interesting chemical elements:

Iodine	(I)	2 atoms
Calcium	(Ca)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination (pdb code 3s18). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination, PDB code: 3s18:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl230 b:57.1 occ:1.00 O A:HOH242 2.8 21.1 1.0 O A:GLN152 2.9 26.2 1.0 N A:ARG142 2.9 25.5 1.0 CA A:ALA141 3.2 26.5 1.0 O A:ASN153 3.4 28.0 1.0 C A:ALA141 3.5 26.0 1.0 CG A:GLN152 3.5 26.7 1.0 C A:ASN153 3.7 28.5 1.0 C A:GLN152 3.7 27.2 1.0 CB A:ALA141 3.7 26.2 1.0 CD1 A:LEU150 3.7 30.7 1.0 O A:ARG142 3.7 24.9 1.0 N A:LYS154 3.8 29.2 1.0 CA A:LYS154 3.8 30.1 1.0 CA A:ARG142 3.9 25.3 1.0 O A:TYR140 4.0 27.1 1.0 CB A:ARG142 4.0 25.9 1.0 CG A:LEU150 4.0 30.4 1.0 CG A:LYS154 4.2 31.7 1.0 C A:ARG142 4.2 25.0 1.0 N A:GLN152 4.3 27.3 1.0 N A:ALA141 4.3 26.7 1.0 CA A:GLN152 4.4 27.6 1.0 NE2 A:GLN152 4.5 30.4 1.0 N A:ASN153 4.5 28.1 1.0 CD A:GLN152 4.5 30.7 1.0 CB A:GLN152 4.6 28.1 1.0 CA A:ASN153 4.6 28.6 1.0 C A:TYR140 4.6 27.1 1.0 CB A:LYS154 4.6 30.9 1.0 O A:ALA141 4.7 26.1 1.0 CD2 A:LEU150 4.9 30.5 1.0 C A:LYS154 5.0 30.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl231 b:60.2 occ:1.00 NA A:NA233 2.9 30.6 1.0 O A:HOH248 2.9 25.7 1.0 OD2 A:ASP65 3.0 24.5 1.0 O A:HOH298 3.3 37.8 1.0 CG A:ASP65 3.4 23.2 1.0 OD1 A:ASP65 3.6 23.4 1.0 CA A:GLY119 3.7 27.8 1.0 N A:ILE120 3.7 25.5 1.0 O A:ILE120 3.8 23.4 1.0 CA A:GLU80 3.8 23.3 1.0 N A:GLU80 3.9 22.0 1.0 C A:GLY119 4.0 26.7 1.0 O A:HOH243 4.0 23.9 1.0 O A:GLU80 4.3 22.4 1.0 O A:HOH284 4.4 27.3 1.0 C A:ILE120 4.4 24.0 1.0 C A:GLU80 4.4 23.2 1.0 CB A:ASP65 4.5 23.8 1.0 O A:ASN118 4.6 31.7 1.0 CA A:ILE120 4.7 24.1 1.0 CB A:GLU80 4.9 24.3 1.0 CG A:GLU80 4.9 26.3 1.0 N A:GLY119 4.9 29.4 1.0 O A:GLY119 4.9 26.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl230 b:27.2 occ:1.00 O B:HOH258 3.0 32.8 1.0 N B:ILE58 3.1 27.7 1.0 N A:ILE58 3.3 24.6 1.0 CA B:THR57 3.4 29.7 1.0 CA A:THR57 3.6 26.0 1.0 CB B:THR57 3.6 28.9 1.0 CB A:THR57 3.7 25.3 1.0 C B:THR57 3.7 29.2 1.0 CG2 B:ILE58 3.8 27.2 1.0 CG2 A:ILE58 3.9 24.2 1.0 C A:THR57 4.0 25.7 1.0 CG1 B:ILE58 4.1 26.7 1.0 CG B:PRO101 4.1 31.0 1.0 CG1 A:ILE58 4.1 24.0 1.0 CB B:ILE58 4.2 26.7 1.0 CA B:ILE58 4.2 27.1 1.0 CG2 B:THR57 4.3 29.5 1.0 CB A:ILE58 4.3 24.1 1.0 CG A:PRO101 4.3 27.4 1.0 CG2 A:THR57 4.4 23.6 1.0 CA A:ILE58 4.4 24.1 1.0 CD1 A:ILE58 4.6 25.2 1.0 O B:LYS56 4.7 32.1 1.0 N B:THR57 4.7 30.6 1.0 O A:LYS56 4.7 30.3 1.0 CD1 B:ILE58 4.7 28.0 1.0 OG1 B:THR57 4.8 28.6 1.0 N A:THR57 4.9 28.1 1.0 CB B:PRO101 4.9 30.0 1.0 OG1 A:THR57 4.9 23.2 1.0 O B:THR57 5.0 29.6 1.0

U.Sharma, U.V.Katre, C.G.Suresh. Crystal Structure of A Plant Albumin From Cicer Arietinum (Chickpea) Possessing Hemopexin Fold and Hemagglutination Activity Planta 2015.
ISSN: ISSN 0032-0935
PubMed: 25559942
DOI: 10.1007/S00425-014-2236-6