Iron in PDB 7zii: Crystal Structure of Human Tryptophan Hydroxylase 1 in Complex with Inhibitor Km-05-193

All present enzymatic activity of Crystal Structure of Human Tryptophan Hydroxylase 1 in Complex with Inhibitor Km-05-193:
1.14.16.4;

The structure of Crystal Structure of Human Tryptophan Hydroxylase 1 in Complex with Inhibitor Km-05-193, PDB code: 7zii was solved by A.Schuetz, K.Mallow, M.Nazare, E.Specker, U.Heinemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.55 / 1.63
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.97, 57.947, 59.349, 90, 97.62, 90
R / Rfree (%)	16.7 / 19.2

The binding sites of Iron atom in the Crystal Structure of Human Tryptophan Hydroxylase 1 in Complex with Inhibitor Km-05-193 (pdb code 7zii). 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 Crystal Structure of Human Tryptophan Hydroxylase 1 in Complex with Inhibitor Km-05-193, PDB code: 7zii:

Iron binding site 1 out of 1 in the Crystal Structure of Human Tryptophan Hydroxylase 1 in Complex with Inhibitor Km-05-193


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 Human Tryptophan Hydroxylase 1 in Complex with Inhibitor Km-05-193 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:14.4 occ:1.00 NE2 A:HIS277 2.0 12.2 1.0 NE2 A:HIS272 2.1 16.0 1.0 NAP A:IVQ502 2.2 21.5 1.0 OE2 A:GLU317 2.2 15.9 1.0 O A:HOH629 2.3 19.1 1.0 OE1 A:GLU317 2.3 18.9 1.0 CD A:GLU317 2.6 18.7 1.0 CD2 A:HIS277 3.0 12.4 1.0 CE1 A:HIS272 3.0 16.9 1.0 CE1 A:HIS277 3.0 14.3 1.0 CD2 A:HIS272 3.1 15.1 1.0 CBC A:IVQ502 3.2 31.2 1.0 CAW A:IVQ502 3.2 20.3 1.0 CAN A:IVQ502 3.5 20.9 1.0 CAI A:IVQ502 3.6 30.4 1.0 CG A:GLU317 4.1 16.2 1.0 ND1 A:HIS277 4.1 13.8 1.0 ND1 A:HIS272 4.2 15.5 1.0 CG A:HIS277 4.2 15.4 1.0 CG A:HIS272 4.3 12.5 1.0 OE2 A:GLU273 4.3 16.6 1.0 CBD A:IVQ502 4.3 29.0 1.0 NAS A:IVQ502 4.3 21.2 1.0 OH A:TYR312 4.5 17.5 1.0 CB A:ALA332 4.5 14.6 1.0 CZ A:PHE250 4.7 21.7 1.0 O A:HOH719 4.8 22.1 1.0 CAX A:IVQ502 4.9 51.3 1.0 C8 A:IVQ502 4.9 20.0 1.0

E.Specker, S.Matthes, R.Wesolowski, A.Schutz, M.Grohmann, N.Alenina, D.Pleimes, K.Mallow, M.Neuenschwander, A.Gogolin, M.Weise, J.Pfeifer, N.Ziebart, U.Heinemann, J.P.Von Kries, M.Nazare, M.Bader. Structure-Based Design of Xanthine-Benzimidazole Derivatives As Novel and Potent Tryptophan Hydroxylase Inhibitors. J.Med.Chem. V. 65 11126 2022.
ISSN: ISSN 0022-2623
PubMed: 35921615
DOI: 10.1021/ACS.JMEDCHEM.2C00598