Chlorine in PDB 4ca1: Crystal Structure of SIAH1 at 1.58 A Resolution.

The structure of Crystal Structure of SIAH1 at 1.58 A Resolution., PDB code: 4ca1 was solved by V.Rimsa, T.C.Eadsforth, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.11 / 1.58
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	76.060, 104.120, 133.590, 90.00, 90.00, 90.00
R / Rfree (%)	14.075 / 18.907

The structure of Crystal Structure of SIAH1 at 1.58 A Resolution. also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of SIAH1 at 1.58 A Resolution. (pdb code 4ca1). 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 SIAH1 at 1.58 A Resolution., PDB code: 4ca1:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of SIAH1 at 1.58 A Resolution.


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 SIAH1 at 1.58 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1286 b:56.0 occ:1.00 NH1 A:ARG232 3.6 34.0 1.0 NH2 A:ARG232 3.7 32.5 1.0 O A:HOH2150 3.7 57.4 1.0 O A:HOH2149 3.8 51.1 1.0 ND1 A:HIS230 4.0 42.7 0.5 CZ A:ARG232 4.1 26.5 1.0 O B:HOH2113 4.5 44.7 1.0 CE1 A:HIS230 4.7 43.0 0.5 ND1 A:HIS230 4.9 37.0 0.5 CG A:HIS230 5.0 35.3 0.5

Chlorine binding site 2 out of 3 in the Crystal Structure of SIAH1 at 1.58 A Resolution.


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 SIAH1 at 1.58 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1293 b:79.0 occ:1.00 O A:HOH2152 2.9 60.6 1.0 NH2 A:ARG233 3.8 37.6 1.0 NH1 A:ARG233 4.2 31.2 1.0 CZ A:ARG233 4.4 36.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of SIAH1 at 1.58 A Resolution.


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 SIAH1 at 1.58 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1285 b:79.2 occ:1.00 O B:HOH2015 2.9 55.4 1.0 OH B:TYR100 3.4 44.6 1.0 NE2 B:HIS244 3.6 77.8 1.0 NZ B:LYS99 3.8 72.6 1.0 NH1 B:ARG124 3.8 55.5 0.5 CZ B:ARG124 3.9 57.0 0.5 CE1 B:HIS244 4.0 73.8 1.0 NH2 B:ARG124 4.0 45.8 0.5 CZ B:TYR100 4.4 39.7 1.0 NE B:ARG124 4.4 56.6 0.5 CE B:LYS99 4.5 67.4 1.0 CE1 B:TYR100 4.6 35.6 1.0 CD2 B:HIS244 4.7 66.8 1.0 CG B:ARG124 4.9 41.8 0.5 CD B:ARG124 5.0 42.7 0.5

V.Rimsa, T.C.Eadsforth, W.N.Hunter. Two High-Resolution Structures of the Human E3 Ubiquitin Ligase SIAH1. Acta Crystallogr.,Sect.F V. 96 1339 2013.
ISSN: ISSN 1744-3091
PubMed: 24316825
DOI: 10.1107/S1744309113031448