Iodine in PDB 4kic: Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with S-Adenosyl-L-Methionine and Phenylpyruvic Acid

The structure of Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with S-Adenosyl-L-Methionine and Phenylpyruvic Acid, PDB code: 4kic was solved by Y.C.Liu, X.W.Zou, H.C.Chan, C.J.Huang, T.L.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.00 / 2.43
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.547, 93.498, 142.245, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 23.8

The structure of Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with S-Adenosyl-L-Methionine and Phenylpyruvic Acid also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Calcium	(Ca)	13 atoms

The binding sites of Iodine atom in the Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with S-Adenosyl-L-Methionine and Phenylpyruvic Acid (pdb code 4kic). 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 Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with S-Adenosyl-L-Methionine and Phenylpyruvic Acid, PDB code: 4kic:

Iodine binding site 1 out of 1 in the Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with S-Adenosyl-L-Methionine and Phenylpyruvic Acid


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 Methyltransferase From Streptomyces Hygroscopicus Complexed with S-Adenosyl-L-Methionine and Phenylpyruvic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I412 b:60.5 occ:1.00 CE A:LYS44 3.6 64.8 1.0 C A:LEU45 3.9 40.1 1.0 N A:ASP46 4.0 42.5 1.0 OG1 A:THR80 4.0 46.0 1.0 CG A:LYS44 4.1 52.6 1.0 O A:LEU45 4.2 36.4 1.0 CA A:LEU45 4.2 40.2 1.0 CD A:LYS44 4.3 59.3 1.0 CB A:ASP46 4.3 44.7 1.0 CA A:ASP46 4.5 44.3 1.0 N A:LEU45 4.6 40.8 1.0 NZ A:LYS44 4.8 66.8 1.0 O A:HOH598 4.8 33.5 1.0 CG2 A:THR80 4.9 38.2 1.0 CB A:LYS44 5.0 49.0 1.0

X.W.Zou, Y.C.Liu, N.S.Hsu, C.J.Huang, S.Y.Lyu, H.C.Chan, C.Y.Chang, H.W.Yeh, K.H.Lin, C.J.Wu, M.D.Tsai, T.L.Li. Structure and Mechanism of A Nonhaem-Iron Sam-Dependent C-Methyltransferase and Its Engineering to A Hydratase and An O-Methyltransferase Acta Crystallogr.,Sect.D V. 70 1549 2014.
ISSN: ISSN 0907-4449
PubMed: 24914966
DOI: 10.1107/S1399004714005239