Iodine in PDB 6i1q: Iodide Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12

The structure of Iodide Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12, PDB code: 6i1q was solved by A.Turbe-Doan, E.Record, V.Lombard, R.Kumar, B.Henrissat, A.Levasseur, M.L.Garron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 1.99
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	82.780, 82.780, 140.750, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 22.2

The structure of Iodide Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iodine atom in the Iodide Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12 (pdb code 6i1q). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Iodide Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12, PDB code: 6i1q:

Iodine binding site 1 out of 1 in the Iodide Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Iodide Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12 within 5.0Å range: probe atom residue distance (Å) B Occ A:I511 b:26.6 occ:0.50 O A:HOH711 3.2 33.7 1.0 O A:HOH645 3.5 30.3 1.0 N A:LEU48 3.8 25.6 1.0 CA A:ARG47 4.1 28.0 1.0 CE1 A:TYR46 4.2 31.7 1.0 OE1 A:GLN32 4.4 49.0 1.0 C A:ARG47 4.5 30.0 1.0 CB A:LEU48 4.5 25.5 1.0 CG A:ARG47 4.5 28.9 1.0 CD1 A:TYR46 4.5 30.4 1.0 O A:TYR46 4.6 25.1 1.0 CA A:LEU48 4.8 26.0 1.0 CB A:ARG47 4.9 26.9 1.0 O A:LEU31 4.9 29.0 1.0 N A:ARG47 5.0 25.3 1.0

A.Turbe-Doan, E.Record, V.Lombard, R.Kumar, A.Levasseur, B.Henrissat, M.L.Garron. The Functional and Structural Characterization Oftrichoderma Reeseidehydrogenase Belonging to the Pqq Dependent Family of Carbohydrate-Active Enzymes Family AA12. Appl.Environ.Microbiol. 2019.
ISSN: ESSN 1098-5336
PubMed: 31604773
DOI: 10.1128/AEM.00964-19