Chlorine in PDB 1ktw: Iota-Carrageenase Complexed to Iota-Carrageenan Fragments

All present enzymatic activity of Iota-Carrageenase Complexed to Iota-Carrageenan Fragments:
3.2.1.157;

The structure of Iota-Carrageenase Complexed to Iota-Carrageenan Fragments, PDB code: 1ktw was solved by G.Michel, R.Kahn, O.Dideberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.17 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.730, 122.310, 91.941, 90.00, 90.99, 90.00
R / Rfree (%)	20.3 / 23.8

The structure of Iota-Carrageenase Complexed to Iota-Carrageenan Fragments also contains other interesting chemical elements:

Calcium	(Ca)	10 atoms
Sodium	(Na)	4 atoms

The binding sites of Chlorine atom in the Iota-Carrageenase Complexed to Iota-Carrageenan Fragments (pdb code 1ktw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Iota-Carrageenase Complexed to Iota-Carrageenan Fragments, PDB code: 1ktw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Iota-Carrageenase Complexed to Iota-Carrageenan Fragments


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Iota-Carrageenase Complexed to Iota-Carrageenan Fragments within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl530 b:30.1 occ:1.00 NE2 A:GLN222 2.9 8.0 1.0 N A:ALA185 2.9 9.4 1.0 O A:HOH729 3.1 27.5 1.0 CD2 A:LEU188 3.6 12.8 1.0 CB A:ALA185 3.6 10.2 1.0 CD1 A:TYR218 3.6 11.1 1.0 OH A:TYR224 3.7 17.7 1.0 CA A:PHE184 3.7 11.8 1.0 C A:PHE184 3.8 10.8 1.0 O A:HOH809 3.8 43.6 1.0 CA A:ALA185 3.8 10.0 1.0 CD A:GLN222 3.9 12.3 1.0 CE1 A:TYR218 4.0 11.3 1.0 CD1 A:PHE184 4.2 18.6 1.0 CB A:GLN222 4.2 8.1 1.0 O A:HOH543 4.2 12.6 1.0 CB A:PHE184 4.3 13.2 1.0 CG A:GLN222 4.6 10.0 1.0 O A:ALA185 4.7 8.9 1.0 OE1 A:GLN222 4.8 15.1 1.0 CG A:PHE184 4.8 16.5 1.0 N A:PHE184 4.8 10.8 1.0 CG A:TYR218 4.8 11.2 1.0 C A:ALA185 4.8 9.0 1.0 CZ A:TYR224 4.9 15.4 1.0 O A:PHE184 5.0 10.1 1.0 O A:HOH653 5.0 24.0 1.0

Chlorine binding site 2 out of 2 in the Iota-Carrageenase Complexed to Iota-Carrageenan Fragments


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Iota-Carrageenase Complexed to Iota-Carrageenan Fragments within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl531 b:37.6 occ:1.00 NE2 B:GLN222 2.9 13.6 1.0 N B:ALA185 3.0 16.6 1.0 CD1 B:TYR218 3.4 18.4 1.0 OH B:TYR224 3.5 18.5 1.0 CB B:ALA185 3.7 14.2 1.0 CD2 B:LEU188 3.7 13.4 1.0 CE1 B:TYR218 3.7 21.2 1.0 CA B:PHE184 3.7 18.9 1.0 C B:PHE184 3.8 17.7 1.0 CA B:ALA185 3.9 14.3 1.0 CD B:GLN222 4.0 16.2 1.0 O B:HOH547 4.0 15.6 1.0 CB B:GLN222 4.2 11.9 1.0 CD1 B:PHE184 4.5 20.8 1.0 CB B:PHE184 4.5 18.9 1.0 CG B:TYR218 4.6 18.2 1.0 CG B:GLN222 4.6 13.0 1.0 N B:PHE184 4.7 19.2 1.0 CZ B:TYR224 4.8 19.0 1.0 OE1 B:GLN222 4.8 17.0 1.0 O B:ALA185 4.9 13.1 1.0 C B:ALA185 4.9 13.5 1.0 CG B:PHE184 5.0 20.8 1.0 O B:PHE184 5.0 16.6 1.0

G.Michel, W.Helbert, R.Kahn, O.Dideberg, B.Kloareg. The Structural Bases of the Processive Degradation of Iota-Carrageenan, A Main Cell Wall Polysaccharide of Red Algae. J.Mol.Biol. V. 334 421 2003.
ISSN: ISSN 0022-2836
PubMed: 14623184
DOI: 10.1016/J.JMB.2003.09.056