Chlorine in PDB 3dgc: Structure of Il-22/Il-22R1

The structure of Structure of Il-22/Il-22R1, PDB code: 3dgc was solved by B.C.Jones, N.J.Logsdon, M.R.Walter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.509, 75.480, 101.140, 90.00, 100.89, 90.00
R / Rfree (%)	22.2 / 27

The structure of Structure of Il-22/Il-22R1 also contains other interesting chemical elements:

Uranium

(U)

12 atoms

The binding sites of Chlorine atom in the Structure of Il-22/Il-22R1 (pdb code 3dgc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Il-22/Il-22R1, PDB code: 3dgc:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Il-22/Il-22R1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Il-22/Il-22R1 within 5.0Å range: probe atom residue distance (Å) B Occ R:Cl3 b:47.5 occ:1.00 O R:HOH259 2.8 33.1 1.0 N R:THR142 3.1 35.3 1.0 N R:GLU157 3.3 35.6 1.0 N R:LEU156 3.5 34.4 1.0 NH2 R:ARG184 3.5 52.5 1.0 NH1 R:ARG184 3.6 53.7 1.0 CB R:THR155 3.7 34.3 1.0 CB R:GLU157 3.8 40.2 1.0 CB R:LEU156 3.8 33.2 1.0 CA R:PRO141 3.8 37.2 1.0 OG1 R:THR155 3.9 36.7 1.0 C R:PRO141 3.9 36.1 1.0 O R:THR142 4.0 37.2 1.0 CZ R:ARG184 4.0 53.0 1.0 CA R:LEU156 4.0 33.6 1.0 OH R:TYR165 4.0 37.3 1.0 CA R:THR142 4.1 36.4 1.0 C R:LEU156 4.1 33.8 1.0 CA R:GLU157 4.1 38.2 1.0 CB R:THR142 4.2 37.4 1.0 C R:THR155 4.3 34.8 1.0 C R:THR142 4.5 36.4 1.0 CG R:GLU157 4.5 46.9 1.0 CB R:PRO141 4.5 38.3 1.0 CA R:THR155 4.5 34.2 1.0 O R:HOH250 4.6 26.7 1.0 CG R:LEU156 4.6 32.7 1.0 OG1 R:THR142 4.6 37.9 1.0 CG2 R:THR155 4.7 30.8 1.0 CD R:GLU157 4.8 49.3 1.0 OE2 R:GLU157 4.8 49.1 1.0 O R:HIS140 4.8 36.5 1.0 N R:PRO141 4.9 36.6 1.0 CD1 R:LEU156 5.0 32.1 1.0

Chlorine binding site 2 out of 3 in the Structure of Il-22/Il-22R1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Il-22/Il-22R1 within 5.0Å range: probe atom residue distance (Å) B Occ S:Cl1 b:28.1 occ:1.00 N S:ASP80 3.0 23.8 1.0 NH2 S:ARG76 3.5 25.8 1.0 CB S:ASP80 3.6 25.6 1.0 CA S:CYS79 3.7 26.0 1.0 NE S:ARG76 3.8 26.1 1.0 C S:CYS79 3.8 25.2 1.0 CA S:ASP80 3.9 24.3 1.0 CZ S:ARG76 4.0 26.6 1.0 SG S:CYS71 4.2 28.3 1.0 O S:SER78 4.5 25.4 1.0 N S:CYS79 4.6 26.0 1.0 CB S:CYS79 4.7 26.4 1.0 SG S:CYS79 4.7 29.7 1.0 C S:SER78 4.9 26.7 1.0 O S:ASP80 4.9 24.4 1.0 C S:ASP80 4.9 23.6 1.0 CD S:ARG76 5.0 28.4 1.0 CG S:ASP80 5.0 23.8 1.0

Chlorine binding site 3 out of 3 in the Structure of Il-22/Il-22R1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Il-22/Il-22R1 within 5.0Å range: probe atom residue distance (Å) B Occ S:Cl2 b:34.5 occ:1.00 N S:THR142 3.3 32.9 1.0 N S:GLU157 3.4 35.6 1.0 NH1 S:ARG184 3.5 49.1 1.0 N S:LEU156 3.6 32.3 1.0 NH2 S:ARG184 3.6 46.6 1.0 CB S:LEU156 3.8 32.0 1.0 CB S:THR155 3.8 32.5 1.0 O S:THR142 3.9 36.8 1.0 CB S:GLU157 4.0 39.9 1.0 OH S:TYR165 4.0 39.4 1.0 OG1 S:THR155 4.0 31.8 1.0 CZ S:ARG184 4.0 47.8 1.0 CB S:THR142 4.0 36.3 1.0 CA S:LEU156 4.0 33.8 1.0 CA S:THR142 4.1 34.5 1.0 CA S:PRO141 4.2 28.3 1.0 C S:PRO141 4.2 30.7 1.0 C S:LEU156 4.2 33.9 1.0 CA S:GLU157 4.3 37.4 1.0 C S:THR155 4.4 33.3 1.0 C S:THR142 4.4 34.8 1.0 OG1 S:THR142 4.4 37.0 1.0 CG S:LEU156 4.5 33.0 1.0 CA S:THR155 4.6 33.4 1.0 CG S:GLU157 4.6 45.9 1.0 CG2 S:THR155 4.8 30.4 1.0 CD1 S:LEU156 4.9 30.3 1.0 CD S:GLU157 4.9 47.7 1.0 O S:HIS140 5.0 25.5 1.0 OE2 S:GLU157 5.0 47.3 1.0

B.C.Jones, N.J.Logsdon, M.R.Walter. Structure of Il-22 Bound to Its High-Affinity Il-22R1 Chain. Structure V. 16 1333 2008.
ISSN: ISSN 0969-2126
PubMed: 18599299
DOI: 10.1016/J.STR.2008.06.005