Iodine in PDB 5mjo: Structure of PSB29 at 1.55A

The structure of Structure of PSB29 at 1.55A, PDB code: 5mjo was solved by J.W.Murray, A.Kozlo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.16 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.240, 56.730, 47.730, 90.00, 104.72, 90.00
R / Rfree (%)	13.3 / 19.2

The structure of Structure of PSB29 at 1.55A also contains other interesting chemical elements:

Mercury

(Hg)

1 atom

The binding sites of Iodine atom in the Structure of PSB29 at 1.55A (pdb code 5mjo). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Structure of PSB29 at 1.55A, PDB code: 5mjo:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Structure of PSB29 at 1.55A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of PSB29 at 1.55A within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:32.8 occ:1.00 SD A:MET86 3.6 30.7 1.0 HG A:HG301 3.7 45.3 1.0 CD1 A:ILE37 3.8 14.0 1.0 CD2 A:LEU91 3.8 23.5 1.0 SG A:CYS81 3.9 17.0 1.0 CG A:MET86 4.1 18.0 1.0 CA A:CYS81 4.1 10.3 1.0 CG A:GLU84 4.2 11.0 1.0 CB A:GLU84 4.2 10.0 1.0 CB A:MET86 4.2 17.0 1.0 CG2 A:ILE37 4.2 11.4 1.0 CD2 A:LEU80 4.4 28.7 1.0 I A:IOD303 4.4 42.6 1.0 CG1 A:VAL56 4.5 11.8 1.0 CE A:MET86 4.5 23.9 1.0 CB A:CYS81 4.6 13.8 1.0 N A:CYS81 4.7 9.3 1.0 CE2 A:PHE52 4.8 17.1 1.0 CD1 A:LEU91 4.8 23.6 1.0 O A:LEU80 4.8 10.9 1.0 CZ A:PHE52 4.9 16.0 1.0 CG A:LEU91 4.9 15.9 1.0 CG1 A:ILE37 4.9 10.9 1.0 O A:CYS81 5.0 13.0 1.0 CG2 A:VAL56 5.0 12.2 1.0

Iodine binding site 2 out of 2 in the Structure of PSB29 at 1.55A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of PSB29 at 1.55A within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:42.6 occ:1.00 HG A:HG301 2.3 45.3 1.0 CD2 A:LEU80 3.4 28.7 1.0 CD1 A:PHE77 3.6 15.6 1.0 CE1 A:PHE77 3.7 19.7 1.0 CG1 A:VAL56 3.7 11.8 1.0 CB A:LEU80 3.8 13.3 1.0 CD1 A:LEU80 3.9 26.9 1.0 CG A:LEU80 3.9 24.0 1.0 CD1 A:PHE60 4.2 11.3 1.0 O A:PHE77 4.2 12.3 1.0 CD2 A:LEU33 4.3 15.1 1.0 CG A:PHE77 4.3 13.0 1.0 SG A:CYS81 4.3 17.0 1.0 I A:IOD302 4.4 32.8 1.0 CZ A:PHE77 4.5 20.9 1.0 CA A:PHE77 4.6 11.7 1.0 CE1 A:PHE60 4.7 15.4 1.0 CG A:PHE60 4.7 11.5 1.0 N A:CYS81 4.7 9.3 1.0 CB A:PHE60 4.9 11.0 1.0 C A:PHE77 4.9 10.7 1.0 C A:LEU80 4.9 8.6 1.0 CB A:PHE77 5.0 13.6 1.0 CD1 A:ILE37 5.0 14.0 1.0

M.Bec Kova, J.Yu, V.Krynicka, A.Kozlo, S.Shao, P.Konik, J.Komenda, J.W.Murray, P.J.Nixon. Structure of PSB29/THF1 and Its Association with the Ftsh Protease Complex Involved in Photosystem II Repair in Cyanobacteria. Philos. Trans. R. Soc. V. 372 2017LOND., B, Biol. Sci..
ISSN: ESSN 1471-2970
PubMed: 28808107
DOI: 10.1098/RSTB.2016.0394