Iron in PDB 8k5i: The Structure of Sena in Complex with N,N,N-Trimethyl-Histidine and Thioglucose

The structure of The Structure of Sena in Complex with N,N,N-Trimethyl-Histidine and Thioglucose, PDB code: 8k5i 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)	33.20 / 1.92
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.641, 95.895, 61.846, 90, 90, 90
R / Rfree (%)	16.5 / 21.4

The binding sites of Iron atom in the The Structure of Sena in Complex with N,N,N-Trimethyl-Histidine and Thioglucose (pdb code 8k5i). 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 in Complex with N,N,N-Trimethyl-Histidine and Thioglucose, PDB code: 8k5i:

Iron binding site 1 out of 1 in the The Structure of Sena in Complex with N,N,N-Trimethyl-Histidine and Thioglucose


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 in Complex with N,N,N-Trimethyl-Histidine and Thioglucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:16.3 occ:1.00 NE2 A:HIS167 2.1 13.1 1.0 NE2 A:HIS171 2.1 12.5 1.0 NE2 A:HIS71 2.2 15.1 1.0 O A:HOH769 2.2 17.2 1.0 NAT A:AVJ502 2.2 17.1 1.0 S1 A:GS1503 2.3 27.1 1.0 CE1 A:HIS167 3.0 13.8 1.0 CE1 A:HIS171 3.0 12.5 1.0 CD2 A:HIS71 3.1 15.8 1.0 CD2 A:HIS171 3.1 11.5 1.0 CD2 A:HIS167 3.1 13.1 1.0 CAM A:AVJ502 3.2 16.8 1.0 CE1 A:HIS71 3.2 14.9 1.0 CAZ A:AVJ502 3.2 16.8 1.0 C1 A:GS1503 3.5 30.3 1.0 O5 A:GS1503 4.1 35.2 1.0 ND1 A:HIS171 4.2 12.8 1.0 ND1 A:HIS167 4.2 12.9 1.0 CG A:HIS171 4.2 12.2 1.0 CG A:HIS71 4.2 15.3 1.0 CG A:HIS167 4.2 12.4 1.0 ND1 A:HIS71 4.3 15.8 1.0 CAY A:AVJ502 4.4 15.9 1.0 NAR A:AVJ502 4.4 17.0 1.0 OG A:SER112 4.6 22.6 1.0 OH A:TYR363 4.7 19.9 1.0 CD2 A:PHE75 4.9 12.8 1.0 C2 A:GS1503 4.9 33.7 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