Iron in PDB 8k5k: The Structure of Sena

The structure of The Structure of Sena, PDB code: 8k5k was solved by M.Liu, Y.Yang, J.-W.Huang, C.-C.Chen, R.-T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.38 / 1.81
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.711, 95.841, 62.147, 90, 90, 90
R / Rfree (%)	17.1 / 22.9

The binding sites of Iron atom in the The Structure of Sena (pdb code 8k5k). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the The Structure of Sena, PDB code: 8k5k:

Iron binding site 1 out of 1 in the The Structure of Sena


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of Sena within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:17.2 occ:1.00 NE2 A:HIS167 2.0 14.7 1.0 NE2 A:HIS171 2.1 14.7 1.0 NE2 A:HIS71 2.1 16.4 1.0 O A:HOH918 2.2 23.2 1.0 O A:HOH898 2.3 22.6 1.0 O A:HOH684 2.3 18.8 1.0 CD2 A:HIS167 3.0 14.6 1.0 CE1 A:HIS171 3.0 16.7 1.0 CE1 A:HIS167 3.0 17.1 1.0 CD2 A:HIS71 3.1 15.0 1.0 CD2 A:HIS171 3.1 14.6 1.0 CE1 A:HIS71 3.2 16.8 1.0 O A:HOH959 4.1 36.6 1.0 CG A:HIS167 4.1 14.2 1.0 ND1 A:HIS167 4.1 14.5 1.0 ND1 A:HIS171 4.1 15.5 1.0 CG A:HIS171 4.2 14.0 1.0 CG A:HIS71 4.2 15.6 1.0 ND1 A:HIS71 4.3 17.0 1.0 OH A:TYR363 4.3 37.1 1.0 OG A:SER112 4.5 23.7 1.0 O A:HOH617 4.5 39.5 1.0 O A:HOH956 4.6 29.6 1.0 CD2 A:PHE75 4.7 15.0 1.0

M.Liu, Y.Yang, J.W.Huang, L.Dai, Y.Zheng, S.Cheng, H.He, C.C.Chen, R.T.Guo. Structural Insights Into A Novel Nonheme Iron-Dependent Oxygenase in Selenoneine Biosynthesis. Int.J.Biol.Macromol. V. 256 28428 2023.
ISSN: ISSN 0141-8130
PubMed: 38013086
DOI: 10.1016/J.IJBIOMAC.2023.128428