Iron in PDB 7w5s: A Nonheme Iron- and Alpha-Ketoglutarate- Dependent Halogenase That Catalyzes Nucleotide Substrates

The structure of A Nonheme Iron- and Alpha-Ketoglutarate- Dependent Halogenase That Catalyzes Nucleotide Substrates, PDB code: 7w5s was solved by L.H.Dai, X.Zhang, Y.M.Hu, 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)	32.09 / 1.76
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.492, 72.33, 81.117, 90, 90, 90
R / Rfree (%)	14.9 / 18.2

The structure of A Nonheme Iron- and Alpha-Ketoglutarate- Dependent Halogenase That Catalyzes Nucleotide Substrates also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the A Nonheme Iron- and Alpha-Ketoglutarate- Dependent Halogenase That Catalyzes Nucleotide Substrates (pdb code 7w5s). 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 A Nonheme Iron- and Alpha-Ketoglutarate- Dependent Halogenase That Catalyzes Nucleotide Substrates, PDB code: 7w5s:

Iron binding site 1 out of 1 in the A Nonheme Iron- and Alpha-Ketoglutarate- Dependent Halogenase That Catalyzes Nucleotide Substrates


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A Nonheme Iron- and Alpha-Ketoglutarate- Dependent Halogenase That Catalyzes Nucleotide Substrates within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:15.5 occ:1.00 O A:HOH736 2.1 15.9 1.0 NE2 A:HIS252 2.1 8.0 1.0 CL A:CL405 2.2 24.5 1.0 NE2 A:HIS194 2.2 10.3 1.0 O A:HOH745 2.2 16.0 1.0 O A:HOH760 2.3 16.8 1.0 CD2 A:HIS252 3.1 7.7 1.0 CE1 A:HIS252 3.1 8.2 1.0 CE1 A:HIS194 3.1 11.1 1.0 CD2 A:HIS194 3.2 11.9 1.0 O A:HOH823 3.9 20.9 1.0 CG A:HIS252 4.2 7.3 1.0 ND1 A:HIS252 4.2 8.3 1.0 ND1 A:HIS194 4.2 10.4 1.0 O A:HOH604 4.3 26.6 1.0 CG A:HIS194 4.3 10.2 1.0 O A:HOH531 4.4 11.8 1.0 O A:HOH768 4.7 0.5 1.0 O A:HOH635 4.7 28.4 1.0 CE1 A:PHE271 4.9 10.3 1.0 CZ A:PHE271 5.0 11.7 1.0

L.Dai, X.Zhang, Y.Hu, J.Shen, Q.Zhang, L.Zhang, J.Min, C.C.Chen, Y.Liu, J.W.Huang, R.T.Guo. Structural and Functional Insights Into A Nonheme Iron- and Alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates. Appl.Environ.Microbiol. V. 88 49721 2022.
ISSN: ESSN 1098-5336
PubMed: 35435717
DOI: 10.1128/AEM.02497-21