Chlorine in PDB 6nd9: Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Calcium

The structure of Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Calcium, PDB code: 6nd9 was solved by J.Stetefeld, M.D.Mcdougall, P.C.Loewen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.06 / 2.90
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	131.044, 131.044, 251.245, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 27.2

The structure of Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Calcium also contains other interesting chemical elements:

Calcium	(Ca)	6 atoms
Sodium	(Na)	5 atoms

The binding sites of Chlorine atom in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Calcium (pdb code 6nd9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Calcium, PDB code: 6nd9:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Calcium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Calcium within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl202 b:45.2 occ:1.00 N E:LYS59 3.5 42.2 1.0 N E:TYR60 3.7 47.5 1.0 OD1 F:ASP321 3.7 81.7 1.0 CB E:LYS59 4.0 58.3 1.0 CD2 E:LEU58 4.0 45.6 1.0 CA E:LEU58 4.1 48.1 1.0 CD2 E:TYR60 4.1 45.3 1.0 CA E:LYS59 4.1 51.5 1.0 C E:LEU58 4.2 41.0 1.0 CB E:TYR60 4.4 35.8 1.0 C E:LYS59 4.4 53.3 1.0 CB E:LEU58 4.4 51.9 1.0 CA E:TYR60 4.6 40.4 1.0 CG E:TYR60 4.7 38.5 1.0 CG F:ASP321 4.7 84.7 1.0 O E:TYR60 4.8 40.7 1.0 CG E:LEU58 4.9 47.6 1.0 OD2 F:ASP321 5.0 68.4 1.0

Chlorine binding site 2 out of 3 in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Calcium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Calcium within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl201 b:52.8 occ:1.00 N H:LYS59 3.3 45.2 1.0 N H:TYR60 3.6 44.0 1.0 OD2 I:ASP321 3.7 64.8 1.0 CB H:LYS59 3.9 52.0 1.0 CA H:LEU58 4.0 47.3 1.0 CD2 H:LEU58 4.0 50.7 1.0 CA H:LYS59 4.0 49.8 1.0 C H:LEU58 4.1 42.8 1.0 CD2 H:TYR60 4.2 44.4 1.0 CB H:LEU58 4.3 53.3 1.0 C H:LYS59 4.3 49.7 1.0 CB H:TYR60 4.4 36.5 1.0 OG H:SER17 4.4 56.6 1.0 CA H:TYR60 4.5 38.0 1.0 CG H:TYR60 4.7 40.2 1.0 O H:TYR60 4.8 31.7 1.0 CG I:ASP321 4.8 74.9 1.0 CG H:LEU58 4.8 49.1 1.0 CG H:LYS59 5.0 54.9 1.0

Chlorine binding site 3 out of 3 in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Calcium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Calcium within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl202 b:70.0 occ:1.00 NH2 J:ARG73 3.2 84.1 1.0 CD J:ARG75 3.9 73.8 1.0 NH1 J:ARG75 3.9 98.0 1.0 CZ J:ARG75 4.5 0.3 1.0 NE J:ARG75 4.5 79.7 1.0 CZ J:ARG73 4.5 99.5 1.0 CG J:ARG75 4.6 71.9 1.0 CB J:ARG75 4.8 63.4 1.0

J.Stetefeld, M.D.Mcdougall, P.C.Loewen. Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Calcium To Be Published.