Iron in PDB 4zxc: Crystal Structure of Hydroquinone 1,2-Dioxygenase Pnpcd in Complex with FE3+

The structure of Crystal Structure of Hydroquinone 1,2-Dioxygenase Pnpcd in Complex with FE3+, PDB code: 4zxc was solved by S.Liu, T.Su, C.Zhang, L.Gu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.12 / 3.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.837, 181.743, 186.863, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 24.5

The binding sites of Iron atom in the Crystal Structure of Hydroquinone 1,2-Dioxygenase Pnpcd in Complex with FE3+ (pdb code 4zxc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Hydroquinone 1,2-Dioxygenase Pnpcd in Complex with FE3+, PDB code: 4zxc:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Hydroquinone 1,2-Dioxygenase Pnpcd in Complex with FE3+


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 Hydroquinone 1,2-Dioxygenase Pnpcd in Complex with FE3+ within 5.0Å range: probe atom residue distance (Å) B Occ W:Fe500 b:22.7 occ:1.00 NE2 W:HIS303 2.0 23.8 1.0 OE1 W:GLU262 2.0 32.8 1.0 ND1 W:HIS256 2.1 24.0 1.0 OD1 W:ASN258 2.3 20.5 1.0 O W:HOH607 2.5 30.0 1.0 CE1 W:HIS303 2.6 23.6 1.0 CD W:GLU262 2.7 29.7 1.0 OE2 W:GLU262 2.8 29.0 1.0 CE1 W:HIS256 2.9 23.2 1.0 CG W:ASN258 3.2 22.6 1.0 CG W:HIS256 3.2 23.7 1.0 CD2 W:HIS303 3.3 23.7 1.0 ND2 W:ASN258 3.3 22.0 1.0 CB W:HIS256 3.7 18.6 1.0 ND1 W:HIS303 3.8 23.0 1.0 NE2 W:HIS256 4.1 24.8 1.0 CG W:HIS303 4.2 22.7 1.0 CG W:GLU262 4.2 28.0 1.0 CD2 W:HIS256 4.2 20.9 1.0 CB W:ASN258 4.6 21.6 1.0 CE2 W:PHE79 4.7 24.0 1.0 CB W:GLU262 4.8 23.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Hydroquinone 1,2-Dioxygenase Pnpcd in Complex with FE3+


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Hydroquinone 1,2-Dioxygenase Pnpcd in Complex with FE3+ within 5.0Å range: probe atom residue distance (Å) B Occ Z:Fe500 b:25.1 occ:1.00 ND1 Z:HIS256 2.1 25.3 1.0 OE1 Z:GLU262 2.2 31.1 1.0 NE2 Z:HIS303 2.3 26.9 1.0 OD1 Z:ASN258 2.4 25.1 1.0 CE1 Z:HIS303 2.5 28.7 1.0 OE2 Z:GLU262 2.6 35.1 1.0 CD Z:GLU262 2.7 30.4 1.0 CE1 Z:HIS256 2.8 26.9 1.0 O Z:HOH615 3.0 14.6 1.0 CG Z:HIS256 3.3 25.3 1.0 CG Z:ASN258 3.5 26.8 1.0 CD2 Z:HIS303 3.5 29.4 1.0 ND1 Z:HIS303 3.7 31.4 1.0 CB Z:HIS256 3.8 18.5 1.0 ND2 Z:ASN258 4.0 25.9 1.0 NE2 Z:HIS256 4.0 29.4 1.0 CG Z:GLU262 4.2 28.2 1.0 CG Z:HIS303 4.2 27.6 1.0 CD2 Z:HIS256 4.2 26.6 1.0 CB Z:ASN258 4.7 27.1 1.0 CA Z:ASN258 4.9 27.8 1.0 CE2 Z:PHE79 4.9 32.6 1.0 CB Z:GLU262 4.9 22.8 1.0 O Z:HIS256 5.0 29.3 1.0

S.Liu, T.Su, C.Zhang, W.M.Zhang, D.Zhu, J.Su, T.Wei, K.Wang, Y.Huang, L.Guo, S.Xu, N.Y.Zhou, L.Gu. Crystal Structure of Pnpcd, A Two-Subunit Hydroquinone 1,2-Dioxygenase, Reveals A Novel Structural Class of FE2+-Dependent Dioxygenases. J.Biol.Chem. V. 290 24547 2015.
ISSN: ESSN 1083-351X
PubMed: 26304122
DOI: 10.1074/JBC.M115.673558