Iron in PDB 8k5j: The Structure of Sena in Complex with N,N,N-Trimethyl-Histidine

The structure of The Structure of Sena in Complex with N,N,N-Trimethyl-Histidine, PDB code: 8k5j 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)	22.48 / 1.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.986, 96.355, 62.338, 90, 90, 90
R / Rfree (%)	12.2 / 15.5

The binding sites of Iron atom in the The Structure of Sena in Complex with N,N,N-Trimethyl-Histidine (pdb code 8k5j). 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, PDB code: 8k5j:

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:9.6 occ:1.00 NE2 A:HIS167 2.1 10.3 1.0 NE2 A:HIS171 2.1 10.7 1.0 O A:HOH901 2.1 13.6 1.0 O A:HOH720 2.2 12.5 1.0 NAT A:AVJ502 2.2 11.3 1.0 NE2 A:HIS71 2.2 11.0 1.0 CE1 A:HIS167 3.0 10.0 1.0 CE1 A:HIS171 3.1 10.2 1.0 CD2 A:HIS167 3.1 8.7 1.0 CD2 A:HIS171 3.1 10.0 1.0 CE1 A:HIS71 3.1 10.9 1.0 CAZ A:AVJ502 3.2 11.3 1.0 CD2 A:HIS71 3.2 10.1 1.0 CAM A:AVJ502 3.2 12.2 1.0 ND1 A:HIS171 4.2 11.0 1.0 ND1 A:HIS167 4.2 9.6 1.0 CG A:HIS167 4.2 9.1 1.0 CG A:HIS171 4.3 9.5 1.0 ND1 A:HIS71 4.3 11.1 1.0 OG A:SER112 4.3 20.3 1.0 NAR A:AVJ502 4.3 11.4 1.0 O A:HOH819 4.3 28.3 1.0 CG A:HIS71 4.3 9.2 1.0 CAY A:AVJ502 4.4 11.6 1.0 OH A:TYR363 4.5 14.4 1.0 O A:HOH1002 4.9 31.2 1.0 CD2 A:PHE75 4.9 9.7 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