Iron in PDB 3vlk: Crystal Structure Analysis of the SER305ALA Variant of Katg From Haloarcula Marismortui

All present enzymatic activity of Crystal Structure Analysis of the SER305ALA Variant of Katg From Haloarcula Marismortui:
1.11.1.21;

The structure of Crystal Structure Analysis of the SER305ALA Variant of Katg From Haloarcula Marismortui, PDB code: 3vlk 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)	49.97 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	321.242, 76.665, 74.712, 90.00, 99.54, 90.00
R / Rfree (%)	24.2 / 27

The binding sites of Iron atom in the Crystal Structure Analysis of the SER305ALA Variant of Katg From Haloarcula Marismortui (pdb code 3vlk). 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 SER305ALA Variant of Katg From Haloarcula Marismortui, PDB code: 3vlk:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure Analysis of the SER305ALA Variant of 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 SER305ALA Variant of Katg From Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe800 b:11.4 occ:1.00 FE A:HEM800 0.0 11.4 1.0 NB A:HEM800 2.1 8.6 1.0 ND A:HEM800 2.1 8.9 1.0 NA A:HEM800 2.2 7.8 1.0 NC A:HEM800 2.3 7.0 1.0 NE2 A:HIS259 2.3 9.9 1.0 C1B A:HEM800 3.1 10.6 1.0 CD2 A:HIS259 3.1 9.6 1.0 C4D A:HEM800 3.1 10.5 1.0 C1D A:HEM800 3.2 8.8 1.0 C4A A:HEM800 3.2 11.7 1.0 CHB A:HEM800 3.2 10.4 1.0 C4B A:HEM800 3.2 10.9 1.0 C1A A:HEM800 3.2 9.3 1.0 C4C A:HEM800 3.2 9.0 1.0 CHD A:HEM800 3.2 7.7 1.0 C1C A:HEM800 3.3 7.9 1.0 CHC A:HEM800 3.3 7.8 1.0 CHA A:HEM800 3.4 9.0 1.0 CE1 A:HIS259 3.4 8.4 1.0 C2A A:HEM800 4.3 9.6 1.0 NE1 A:TRP95 4.3 6.9 1.0 C3D A:HEM800 4.3 9.7 1.0 C2B A:HEM800 4.4 10.0 1.0 CG A:HIS259 4.4 8.3 1.0 C3B A:HEM800 4.4 9.2 1.0 C3A A:HEM800 4.5 12.7 1.0 C3C A:HEM800 4.5 8.3 1.0 C2D A:HEM800 4.5 8.3 1.0 ND1 A:HIS259 4.5 9.4 1.0 C2C A:HEM800 4.5 6.1 1.0 CH2 A:TRP311 4.5 6.5 1.0 CD1 A:TRP95 4.6 10.0 1.0 CZ2 A:TRP311 4.7 8.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure Analysis of the SER305ALA Variant of 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 SER305ALA Variant of Katg From Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe800 b:16.4 occ:1.00 FE B:HEM800 0.0 16.4 1.0 ND B:HEM800 2.2 12.7 1.0 NA B:HEM800 2.2 15.5 1.0 NB B:HEM800 2.2 13.2 1.0 NC B:HEM800 2.3 11.9 1.0 NE2 B:HIS259 2.3 15.6 1.0 CD2 B:HIS259 3.0 15.8 1.0 CHB B:HEM800 3.1 16.7 1.0 CHD B:HEM800 3.2 10.6 1.0 C4D B:HEM800 3.2 12.0 1.0 C1B B:HEM800 3.2 15.9 1.0 C1A B:HEM800 3.2 15.6 1.0 CHA B:HEM800 3.2 13.1 1.0 C1D B:HEM800 3.2 12.4 1.0 C1C B:HEM800 3.2 14.2 1.0 C4A B:HEM800 3.2 17.4 1.0 C4C B:HEM800 3.2 11.3 1.0 CHC B:HEM800 3.3 12.7 1.0 C4B B:HEM800 3.3 15.1 1.0 CE1 B:HIS259 3.4 18.7 1.0 CG B:HIS259 4.3 16.1 1.0 NE1 B:TRP95 4.3 12.7 1.0 C3D B:HEM800 4.4 12.3 1.0 C3C B:HEM800 4.4 12.3 1.0 C2A B:HEM800 4.4 16.5 1.0 ND1 B:HIS259 4.4 17.9 1.0 C3B B:HEM800 4.4 15.2 1.0 C2C B:HEM800 4.4 11.1 1.0 C2B B:HEM800 4.5 15.3 1.0 C2D B:HEM800 4.5 11.3 1.0 C3A B:HEM800 4.5 18.4 1.0 CD1 B:TRP95 4.6 12.9 1.0 CH2 B:TRP311 4.6 18.7 1.0 CZ2 B:TRP311 4.8 18.1 1.0

T.Sato, W.Higuchi, K.Yoshimatsu, T.Fujiwara. Crystal Structure and Kinetics Studies on SER305ALA Variant of Katg From Haloarcula Marismortui and Its Complexes with Inhibitor Sha To Be Published.