Chlorine in PDB 6qss: Crystal Structure of Ignicoccus Islandicus Malate Dehydrogenase Co- Crystallized with 10 Mm Tb-XO4

The structure of Crystal Structure of Ignicoccus Islandicus Malate Dehydrogenase Co- Crystallized with 10 Mm Tb-XO4, PDB code: 6qss was solved by J.Roche, E.Girard, D.Madern, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.92 / 1.89
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.486, 109.017, 151.910, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 23.3

The structure of Crystal Structure of Ignicoccus Islandicus Malate Dehydrogenase Co- Crystallized with 10 Mm Tb-XO4 also contains other interesting chemical elements:

Terbium

(Tb)

20 atoms

The binding sites of Chlorine atom in the Crystal Structure of Ignicoccus Islandicus Malate Dehydrogenase Co- Crystallized with 10 Mm Tb-XO4 (pdb code 6qss). 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 Ignicoccus Islandicus Malate Dehydrogenase Co- Crystallized with 10 Mm Tb-XO4, PDB code: 6qss:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Ignicoccus Islandicus Malate Dehydrogenase Co- Crystallized with 10 Mm Tb-XO4


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 Ignicoccus Islandicus Malate Dehydrogenase Co- Crystallized with 10 Mm Tb-XO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:45.5 occ:0.50 N A:GLU67 3.4 32.0 1.0 CB A:GLU67 4.0 35.0 1.0 N A:ASP68 4.0 36.4 1.0 CA A:GLU67 4.1 33.5 1.0 CA A:PHE66 4.2 28.1 1.0 C A:PHE66 4.3 33.9 1.0 CB A:PHE66 4.4 29.9 1.0 CD1 A:PHE66 4.4 33.8 1.0 C A:GLU67 4.5 39.7 1.0 CB A:ASP68 4.6 39.1 1.0 CG A:LYS71 4.7 49.4 1.0 CG A:GLU67 4.8 44.9 1.0 CG A:PHE66 4.9 30.8 1.0 CA A:ASP68 5.0 36.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Ignicoccus Islandicus Malate Dehydrogenase Co- Crystallized with 10 Mm Tb-XO4


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 Ignicoccus Islandicus Malate Dehydrogenase Co- Crystallized with 10 Mm Tb-XO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:36.1 occ:0.50 CA A:PRO125 3.6 28.3 1.0 CB A:PRO125 3.8 29.5 1.0 CB A:ASN124 3.9 32.0 1.0 CD2 A:LEU95 4.0 57.0 1.0 CG A:PRO125 4.0 34.2 1.0 N A:PRO125 4.1 29.3 1.0 CG A:ASN124 4.1 47.3 1.0 OD1 A:ASN124 4.2 37.7 1.0 C A:ASN124 4.6 32.6 1.0 CG A:ARG92 4.6 71.9 1.0 NE A:ARG92 4.6 93.0 1.0 CD A:PRO125 4.7 29.9 1.0 NH2 A:ARG92 4.7 85.3 1.0 CA A:ASN124 4.7 29.1 1.0 CZ A:ARG92 4.7 0.9 1.0 ND2 A:ASN124 4.9 34.8 1.0 C A:PRO125 5.0 29.1 1.0 CB A:ARG92 5.0 59.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Ignicoccus Islandicus Malate Dehydrogenase Co- Crystallized with 10 Mm Tb-XO4


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 Ignicoccus Islandicus Malate Dehydrogenase Co- Crystallized with 10 Mm Tb-XO4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:54.0 occ:0.50 O B:HOH506 2.9 48.6 1.0 N B:LYS44 3.0 39.3 1.0 N B:ALA43 3.5 40.4 1.0 CB B:LYS44 3.6 42.1 1.0 CB B:ALA43 3.6 40.8 1.0 C B:GLY41 3.7 46.5 1.0 CA B:GLY41 3.7 45.8 1.0 N B:GLY41 3.7 47.3 1.0 CG B:GLU67 3.8 66.0 1.0 CA B:ALA43 3.8 39.9 1.0 CA B:LYS44 3.9 39.0 1.0 C B:ALA43 3.9 42.7 1.0 OE2 B:GLU67 4.0 93.8 1.0 N B:LEU42 4.0 42.4 1.0 O B:GLY41 4.0 44.6 1.0 O B:PHE66 4.1 52.2 1.0 C B:PHE66 4.4 53.4 1.0 C B:LEU42 4.4 44.8 1.0 CD B:GLU67 4.4 93.6 1.0 CB B:ALA65 4.7 43.1 1.0 CA B:LEU42 4.8 42.1 1.0 N B:GLU67 4.8 50.6 1.0 N B:PHE66 4.8 47.2 1.0 O B:VAL39 4.8 52.6 1.0 C B:PRO40 4.9 53.2 1.0 CA B:PHE66 4.9 47.9 1.0 CG B:LYS44 5.0 63.7 1.0 C B:ALA65 5.0 48.8 1.0

J.Roche, E.Girard, C.Mas, D.Madern. The Archaeal Ldh-Like Malate Dehydrogenase From Ignicoccus Islandicus Displays Dual Substrate Recognition, Hidden Allostery and A Non-Canonical Tetrameric Oligomeric Organization. J.Struct.Biol. V. 208 7 2019.
ISSN: ESSN 1095-8657
PubMed: 31301348
DOI: 10.1016/J.JSB.2019.07.006