Iodine in PDB 5h4d: Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride

The structure of Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride, PDB code: 5h4d was solved by S.Zhang, L.Fu, J.Liu, B.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	77.32 / 3.21
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	114.560, 114.560, 123.404, 90.00, 90.00, 120.00
R / Rfree (%)	21.3 / 37.2

The structure of Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Iodine atom in the Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride (pdb code 5h4d). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride, PDB code: 5h4d:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride within 5.0Å range: probe atom residue distance (Å) B Occ A:I403 b:0.6 occ:1.00 IBD A:BBI403 0.0 0.6 1.0 CBC A:BBI403 2.1 0.1 1.0 CBE A:BBI403 3.0 0.2 1.0 CAT A:BBI403 3.1 0.0 1.0 OAU A:BBI403 3.3 0.1 1.0 CAV A:BBI403 3.7 0.0 1.0 CG A:GLU177 3.7 32.3 1.0 CAC C:FDL101 3.9 26.0 1.0 CAD C:FDL101 4.2 26.3 1.0 CAB C:FDL101 4.3 26.3 1.0 CAP A:BBI403 4.4 0.5 1.0 CAR A:BBI403 4.4 0.1 1.0 CAL C:FDL101 4.5 26.3 1.0 OAK C:FDL101 4.6 27.6 1.0 CD A:GLU177 4.6 31.9 1.0 CB A:GLU177 4.7 32.5 1.0 OE2 A:GLU177 4.7 31.6 1.0 CAE C:FDL101 4.9 27.2 1.0 CAQ A:BBI403 4.9 0.2 1.0 OAA C:FDL101 5.0 26.0 1.0

Iodine binding site 2 out of 4 in the Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride within 5.0Å range: probe atom residue distance (Å) B Occ A:I403 b:0.6 occ:1.00 IAS A:BBI403 0.0 0.6 1.0 CAR A:BBI403 2.1 0.1 1.0 CAQ A:BBI403 2.9 0.2 1.0 CAT A:BBI403 3.1 0.0 1.0 CAW A:BBI403 3.2 0.4 1.0 OAU A:BBI403 3.3 0.1 1.0 CAV A:BBI403 3.9 0.0 1.0 NH2 A:ARG158 3.9 0.2 1.0 OE1 A:GLU323 4.0 56.6 1.0 CAP A:BBI403 4.3 0.5 1.0 CBC A:BBI403 4.4 0.1 1.0 NAX A:BBI403 4.5 0.8 1.0 CBE A:BBI403 4.9 0.2 1.0

Iodine binding site 3 out of 4 in the Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride within 5.0Å range: probe atom residue distance (Å) B Occ H:I405 b:0.4 occ:1.00 IBD H:BBI405 0.0 0.4 1.0 CBC H:BBI405 2.1 0.6 1.0 CBE H:BBI405 3.0 1.0 1.0 CAT H:BBI405 3.0 0.2 1.0 OAU H:BBI405 3.2 0.2 1.0 CAW H:BBI405 3.3 99.9 1.0 CAV H:BBI405 3.9 0.4 1.0 CE1 H:PHE294 4.1 17.3 1.0 CZ H:PHE294 4.2 17.5 1.0 OE2 H:GLU177 4.2 28.4 1.0 CAP H:BBI405 4.3 0.2 1.0 OAK D:FDL101 4.3 21.8 1.0 CG H:GLU177 4.3 27.4 1.0 OAA D:FDL101 4.3 22.2 1.0 CAR H:BBI405 4.4 0.8 1.0 CAB D:FDL101 4.5 21.9 1.0 NAX H:BBI405 4.5 90.8 1.0 CBA H:BBI405 4.8 84.2 1.0 CD H:GLU177 4.8 27.9 1.0 CAZ H:BBI405 4.8 92.0 1.0 CAQ H:BBI405 4.9 0.8 1.0 CAY H:BBI405 4.9 91.0 1.0 CD1 H:PHE294 4.9 17.1 1.0

Iodine binding site 4 out of 4 in the Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride within 5.0Å range: probe atom residue distance (Å) B Occ H:I405 b:0.3 occ:1.00 IAS H:BBI405 0.0 0.3 1.0 CAR H:BBI405 2.1 0.8 1.0 CAT H:BBI405 3.0 0.2 1.0 CAQ H:BBI405 3.1 0.8 1.0 OAU H:BBI405 3.2 0.2 1.0 CAV H:BBI405 3.4 0.4 1.0 CG2 H:VAL324 3.6 48.3 1.0 OE1 H:GLU323 4.1 60.9 1.0 CBC H:BBI405 4.4 0.6 1.0 CAP H:BBI405 4.4 0.2 1.0 CAW H:BBI405 4.8 99.9 1.0 CD H:GLU323 4.9 60.0 1.0 CBE H:BBI405 4.9 1.0 1.0

S.Zhang, L.Fu, J.Liu, B.Liu. Crystal Structure of HSIRT3 in Complex with A Specific Agonist Amiodarone Hydrochloride To Be Published.