Iron in PDB 4kig: Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with 4-Hydroxyphenylpyruvic Acid

The structure of Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with 4-Hydroxyphenylpyruvic Acid, PDB code: 4kig 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)	25.88 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.485, 81.145, 137.422, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 24.8

The structure of Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with 4-Hydroxyphenylpyruvic Acid also contains other interesting chemical elements:

Calcium

(Ca)

9 atoms

The binding sites of Iron atom in the Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with 4-Hydroxyphenylpyruvic Acid (pdb code 4kig). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with 4-Hydroxyphenylpyruvic Acid, PDB code: 4kig:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with 4-Hydroxyphenylpyruvic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with 4-Hydroxyphenylpyruvic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:19.1 occ:1.00 O2 A:ENO501 1.9 23.1 1.0 NE2 A:HIS295 1.9 18.5 1.0 O A:HOH602 2.1 13.1 1.0 O4 A:ENO501 2.1 23.9 1.0 O A:HOH601 2.2 11.5 1.0 NE2 A:HIS243 2.2 23.3 1.0 C1 A:ENO501 2.7 23.6 1.0 C2 A:ENO501 2.7 23.3 1.0 CE1 A:HIS295 2.9 18.2 1.0 CD2 A:HIS295 3.0 19.8 1.0 CD2 A:HIS243 3.1 23.5 1.0 CE1 A:HIS243 3.2 23.7 1.0 O A:HOH682 3.6 33.7 1.0 OD1 A:ASP244 3.9 23.2 1.0 OD2 A:ASP244 3.9 25.6 1.0 O1 A:ENO501 3.9 24.4 1.0 ND1 A:HIS295 4.0 18.7 1.0 CG A:HIS295 4.1 19.3 1.0 C3 A:ENO501 4.2 25.4 1.0 CG A:ASP244 4.3 22.9 1.0 ND1 A:HIS243 4.3 23.8 1.0 CG A:HIS243 4.3 23.4 1.0 C9 A:ENO501 4.9 27.2 1.0 CE1 A:PHE291 4.9 19.9 1.0 C4 A:ENO501 5.0 25.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with 4-Hydroxyphenylpyruvic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Methyltransferase From Streptomyces Hygroscopicus Complexed with 4-Hydroxyphenylpyruvic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:21.2 occ:1.00 O4 B:ENO501 2.0 26.1 1.0 O1 B:ENO501 2.0 25.2 1.0 O B:HOH602 2.1 16.1 1.0 NE2 B:HIS243 2.1 22.9 1.0 NE2 B:HIS295 2.2 24.7 1.0 O B:HOH603 2.3 24.9 1.0 C1 B:ENO501 2.7 23.5 1.0 C2 B:ENO501 2.7 25.1 1.0 CE1 B:HIS243 2.9 23.7 1.0 CE1 B:HIS295 3.0 23.7 1.0 CD2 B:HIS295 3.3 23.5 1.0 CD2 B:HIS243 3.3 23.5 1.0 O2 B:ENO501 3.9 21.2 1.0 OD1 B:ASP244 4.0 26.1 1.0 ND1 B:HIS243 4.1 22.3 1.0 OD2 B:ASP244 4.1 27.7 1.0 ND1 B:HIS295 4.2 23.9 1.0 O B:HOH712 4.2 37.5 1.0 C3 B:ENO501 4.2 24.7 1.0 CG B:HIS295 4.3 22.9 1.0 CG B:HIS243 4.3 23.0 1.0 CG B:ASP244 4.5 26.1 1.0 CE1 B:PHE291 4.7 27.8 1.0 C9 B:ENO501 4.7 26.8 1.0 C4 B:ENO501 4.9 26.3 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