Iron in PDB 2xf2: Pvc-at

All present enzymatic activity of Pvc-at:
1.11.1.6;

The structure of Pvc-at, PDB code: 2xf2 was solved by A.Borovik, W.R.Melik-Adamyan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.63 / 1.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	144.300, 144.300, 133.800, 90.00, 90.00, 120.00
R / Rfree (%)	14.9 / 17.3

The structure of Pvc-at also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Iron atom in the Pvc-at (pdb code 2xf2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Pvc-at, PDB code: 2xf2:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Pvc-at


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Pvc-at within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe690 b:9.9 occ:1.00 FE A:HDD690 0.0 9.9 1.0 OH A:TYR351 1.9 11.2 1.0 NA A:HDD690 2.0 8.6 1.0 NC A:HDD690 2.0 9.7 1.0 NB A:HDD690 2.1 9.3 1.0 ND A:HDD690 2.2 9.6 1.0 CZ A:TYR351 2.9 10.1 1.0 C4C A:HDD690 3.0 9.4 1.0 C4A A:HDD690 3.0 9.2 1.0 C1B A:HDD690 3.0 10.7 1.0 C1A A:HDD690 3.0 7.7 1.0 C4B A:HDD690 3.1 10.7 1.0 C1C A:HDD690 3.1 10.3 1.0 C1D A:HDD690 3.1 10.2 1.0 C4D A:HDD690 3.2 10.3 1.0 CHB A:HDD690 3.4 8.6 1.0 CHD A:HDD690 3.4 9.2 1.0 CHC A:HDD690 3.5 10.0 1.0 CHA A:HDD690 3.5 8.6 1.0 CE2 A:TYR351 3.7 10.2 1.0 CE1 A:TYR351 3.8 10.9 1.0 N4 A:3TR695 4.0 26.2 1.0 NE A:ARG347 4.1 10.1 1.0 C3 A:3TR695 4.1 26.3 1.0 NH2 A:ARG347 4.1 9.0 1.0 N3A A:3TR695 4.2 28.5 1.0 C3C A:HDD690 4.2 10.3 1.0 C2A A:HDD690 4.3 8.7 1.0 C3A A:HDD690 4.3 8.6 1.0 C2B A:HDD690 4.3 10.1 1.0 C3B A:HDD690 4.3 11.2 1.0 C2C A:HDD690 4.3 10.0 1.0 C2D A:HDD690 4.4 10.4 1.0 C3D A:HDD690 4.4 10.8 1.0 CZ A:ARG347 4.5 11.4 1.0 C5 A:3TR695 4.6 25.1 1.0 NE2 A:HIS64 4.7 12.2 1.0 CG2 A:VAL63 4.8 8.0 1.0 N2 A:3TR695 4.8 27.4 1.0 CD2 A:HIS64 4.9 10.8 1.0 CZ A:PHE150 4.9 12.2 1.0 CD2 A:TYR351 4.9 9.2 1.0 CD1 A:TYR351 5.0 10.1 1.0

Iron binding site 2 out of 2 in the Pvc-at


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Pvc-at within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe690 b:10.6 occ:1.00 FE E:HDD690 0.0 10.6 1.0 OH E:TYR351 1.9 10.4 1.0 NA E:HDD690 2.0 10.1 1.0 NC E:HDD690 2.0 10.4 1.0 NB E:HDD690 2.1 10.8 1.0 ND E:HDD690 2.2 9.2 1.0 CZ E:TYR351 2.9 10.1 1.0 C4A E:HDD690 3.0 11.2 1.0 C1A E:HDD690 3.0 10.2 1.0 C1B E:HDD690 3.0 11.5 1.0 C4C E:HDD690 3.1 11.5 1.0 C1C E:HDD690 3.1 11.7 1.0 C4B E:HDD690 3.1 12.2 1.0 C1D E:HDD690 3.1 10.7 1.0 C4D E:HDD690 3.1 9.8 1.0 CHB E:HDD690 3.4 11.3 1.0 CHA E:HDD690 3.4 10.0 1.0 CHD E:HDD690 3.4 10.3 1.0 CHC E:HDD690 3.5 11.4 1.0 CE2 E:TYR351 3.6 8.9 1.0 CE1 E:TYR351 3.8 11.4 1.0 N4 E:3TR695 4.1 29.6 1.0 NE E:ARG347 4.1 10.1 1.0 NH2 E:ARG347 4.1 10.7 1.0 C3 E:3TR695 4.2 29.6 1.0 N3A E:3TR695 4.2 31.2 1.0 C2A E:HDD690 4.3 10.7 1.0 C3A E:HDD690 4.3 10.8 1.0 C2B E:HDD690 4.3 11.1 1.0 C3C E:HDD690 4.3 11.5 1.0 C3B E:HDD690 4.3 11.8 1.0 C2C E:HDD690 4.3 10.7 1.0 C2D E:HDD690 4.4 10.7 1.0 C3D E:HDD690 4.4 10.0 1.0 CZ E:ARG347 4.5 12.5 1.0 NE2 E:HIS64 4.7 15.8 1.0 C5 E:3TR695 4.8 27.9 1.0 CG2 E:VAL63 4.8 8.1 1.0 N2 E:3TR695 4.9 29.7 1.0 CD2 E:TYR351 4.9 8.6 1.0 CZ E:PHE150 4.9 12.2 1.0 CD2 E:HIS64 4.9 11.9 1.0 O1D E:HDD690 5.0 12.1 1.0 CD1 E:TYR351 5.0 11.6 1.0

A.Borovik, A.I.Grebenko, W.R.Melik-Adamyan. X-Ray Investigation of Penicillium Vitale Catalase Inhibited By Aminotriazole Crystallography Reports V. 56 590 2011.
ISSN: ISSN 1063-7745
DOI: 10.1134/S1063774511030060