Iron in PDB 3vlj: Crystal Structure Analysis of the Cyanide ARG409LEU Variant Complexes with O-Dianisidine in Katg From Haloarcula Marismortui

All present enzymatic activity of Crystal Structure Analysis of the Cyanide ARG409LEU Variant Complexes with O-Dianisidine in Katg From Haloarcula Marismortui:
1.11.1.21;

The structure of Crystal Structure Analysis of the Cyanide ARG409LEU Variant Complexes with O-Dianisidine in Katg From Haloarcula Marismortui, PDB code: 3vlj was solved by T.Sato, W.Higuchi, K.Yoshimatsu, T.Fujiwara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.74 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	315.209, 80.762, 75.433, 90.00, 99.50, 90.00
R / Rfree (%)	21.6 / 23.4

The binding sites of Iron atom in the Crystal Structure Analysis of the Cyanide ARG409LEU Variant Complexes with O-Dianisidine in Katg From Haloarcula Marismortui (pdb code 3vlj). 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 Analysis of the Cyanide ARG409LEU Variant Complexes with O-Dianisidine in Katg From Haloarcula Marismortui, PDB code: 3vlj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure Analysis of the Cyanide ARG409LEU Variant Complexes with O-Dianisidine in Katg From Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Analysis of the Cyanide ARG409LEU Variant Complexes with O-Dianisidine in Katg From Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe800 b:11.8 occ:1.00 FE A:HEM800 0.0 11.8 1.0 NB A:HEM800 2.1 10.8 1.0 ND A:HEM800 2.1 10.5 1.0 NC A:HEM800 2.1 8.9 1.0 NA A:HEM800 2.1 10.1 1.0 NE2 A:HIS259 2.2 12.0 1.0 C A:CYN802 2.8 34.3 1.0 C4D A:HEM800 3.1 11.7 1.0 C4C A:HEM800 3.1 12.2 1.0 CD2 A:HIS259 3.1 8.2 1.0 C1D A:HEM800 3.1 12.1 1.0 C4B A:HEM800 3.1 12.7 1.0 C1C A:HEM800 3.1 10.1 1.0 C1A A:HEM800 3.1 11.4 1.0 C1B A:HEM800 3.1 12.9 1.0 C4A A:HEM800 3.1 12.9 1.0 CE1 A:HIS259 3.2 9.6 1.0 N A:CYN802 3.2 36.4 1.0 CHB A:HEM800 3.3 14.0 1.0 CHC A:HEM800 3.3 12.1 1.0 CHA A:HEM800 3.4 9.5 1.0 CHD A:HEM800 3.4 12.4 1.0 CG A:HIS259 4.3 11.2 1.0 C3C A:HEM800 4.3 9.3 1.0 ND1 A:HIS259 4.3 10.6 1.0 C2A A:HEM800 4.3 9.7 1.0 C3D A:HEM800 4.3 10.7 1.0 C2D A:HEM800 4.3 11.6 1.0 C2C A:HEM800 4.3 9.1 1.0 NE1 A:TRP95 4.3 13.5 1.0 C3B A:HEM800 4.3 11.7 1.0 C2B A:HEM800 4.4 13.9 1.0 C3A A:HEM800 4.4 11.0 1.0 CD1 A:TRP95 4.5 13.8 1.0 CH2 A:TRP311 4.7 10.8 1.0 O A:HOH1114 4.7 29.2 1.0 CZ2 A:TRP311 4.8 11.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure Analysis of the Cyanide ARG409LEU Variant Complexes with O-Dianisidine in Katg From Haloarcula Marismortui


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure Analysis of the Cyanide ARG409LEU Variant Complexes with O-Dianisidine in Katg From Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe800 b:19.3 occ:1.00 FE B:HEM800 0.0 19.3 1.0 NB B:HEM800 2.1 18.1 1.0 ND B:HEM800 2.1 17.0 1.0 NC B:HEM800 2.1 16.4 1.0 NA B:HEM800 2.1 16.9 1.0 NE2 B:HIS259 2.2 18.8 1.0 N B:CYN802 2.4 34.4 1.0 C B:CYN802 3.0 37.0 1.0 CD2 B:HIS259 3.0 20.9 1.0 C4C B:HEM800 3.1 17.5 1.0 C1B B:HEM800 3.1 19.9 1.0 C4A B:HEM800 3.1 19.1 1.0 C4D B:HEM800 3.1 17.4 1.0 C1D B:HEM800 3.1 17.6 1.0 C4B B:HEM800 3.1 19.5 1.0 C1C B:HEM800 3.2 18.1 1.0 C1A B:HEM800 3.2 17.9 1.0 CHB B:HEM800 3.2 19.5 1.0 CHD B:HEM800 3.2 17.3 1.0 CE1 B:HIS259 3.3 19.8 1.0 CHA B:HEM800 3.3 17.6 1.0 CHC B:HEM800 3.3 18.6 1.0 CG B:HIS259 4.3 20.8 1.0 NE1 B:TRP95 4.3 19.0 1.0 C3C B:HEM800 4.3 16.1 1.0 C3D B:HEM800 4.3 17.9 1.0 ND1 B:HIS259 4.3 20.6 1.0 C2A B:HEM800 4.4 17.3 1.0 C2C B:HEM800 4.4 17.5 1.0 C3B B:HEM800 4.4 20.1 1.0 C2B B:HEM800 4.4 19.6 1.0 C3A B:HEM800 4.4 19.4 1.0 C2D B:HEM800 4.5 17.7 1.0 CD1 B:TRP95 4.5 19.7 1.0 CH2 B:TRP311 4.6 19.8 1.0 O B:HOH912 4.7 41.2 1.0 CZ2 B:TRP311 4.9 19.9 1.0

T.Sato, W.Higuchi, K.Yoshimatsu, T.Fujiwara. Crystal Structures and Peroxidatic Function of Cyanide ARG409LEU Variant and Its Complexes with O-Dianisidine in Katg From Haloarcula Marismortui To Be Published.