Iron in PDB 6mq1: B. Pseudomallei Katg Crystalized in the Presence of Abts

All present enzymatic activity of B. Pseudomallei Katg Crystalized in the Presence of Abts:
1.11.1.21;

The structure of B. Pseudomallei Katg Crystalized in the Presence of Abts, PDB code: 6mq1 was solved by P.C.Loewen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.56 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.060, 113.710, 173.540, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 27.7

The structure of B. Pseudomallei Katg Crystalized in the Presence of Abts also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Iron atom in the B. Pseudomallei Katg Crystalized in the Presence of Abts (pdb code 6mq1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the B. Pseudomallei Katg Crystalized in the Presence of Abts, PDB code: 6mq1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the B. Pseudomallei Katg Crystalized in the Presence of Abts


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of B. Pseudomallei Katg Crystalized in the Presence of Abts within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:29.7 occ:1.00 FE A:HEM801 0.0 29.7 1.0 ND A:HEM801 1.9 25.3 1.0 NE2 A:HIS279 1.9 35.3 1.0 NA A:HEM801 2.0 28.1 1.0 NC A:HEM801 2.1 27.2 1.0 NB A:HEM801 2.1 29.1 1.0 O A:HOH1265 2.9 39.2 1.0 CD2 A:HIS279 2.9 37.3 1.0 C4D A:HEM801 2.9 26.5 1.0 C1D A:HEM801 2.9 27.3 1.0 CE1 A:HIS279 3.0 38.4 1.0 C1A A:HEM801 3.0 25.1 1.0 C4C A:HEM801 3.0 27.1 1.0 C1B A:HEM801 3.1 30.4 1.0 C4A A:HEM801 3.1 27.1 1.0 C4B A:HEM801 3.1 29.2 1.0 C1C A:HEM801 3.1 27.3 1.0 CHA A:HEM801 3.3 26.1 1.0 CHD A:HEM801 3.4 26.7 1.0 CHB A:HEM801 3.5 29.6 1.0 CHC A:HEM801 3.5 28.8 1.0 CG A:HIS279 4.0 35.6 1.0 ND1 A:HIS279 4.1 36.5 1.0 C2D A:HEM801 4.1 27.5 1.0 C3D A:HEM801 4.1 26.6 1.0 C2A A:HEM801 4.2 26.8 1.0 O A:HOH1379 4.2 39.9 1.0 C3A A:HEM801 4.2 25.4 1.0 C3C A:HEM801 4.3 27.8 1.0 C2B A:HEM801 4.3 29.4 1.0 C2C A:HEM801 4.3 28.2 1.0 C3B A:HEM801 4.3 27.4 1.0 NE1 A:TRP111 4.4 32.5 1.0 CD1 A:TRP111 4.6 31.6 1.0

Iron binding site 2 out of 2 in the B. Pseudomallei Katg Crystalized in the Presence of Abts


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of B. Pseudomallei Katg Crystalized in the Presence of Abts within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe801 b:22.8 occ:1.00 FE B:HEM801 0.0 22.8 1.0 ND B:HEM801 1.9 21.3 1.0 NE2 B:HIS279 1.9 26.9 1.0 NA B:HEM801 2.0 19.6 1.0 NB B:HEM801 2.1 19.2 1.0 NC B:HEM801 2.1 19.3 1.0 O B:HOH1146 2.3 39.7 1.0 C1D B:HEM801 2.9 20.6 1.0 C4D B:HEM801 2.9 20.4 1.0 CD2 B:HIS279 2.9 27.9 1.0 C1A B:HEM801 3.0 18.3 1.0 CE1 B:HIS279 3.0 28.0 1.0 C4C B:HEM801 3.0 20.6 1.0 C1B B:HEM801 3.0 20.2 1.0 C4B B:HEM801 3.0 22.1 1.0 C4A B:HEM801 3.0 19.4 1.0 C1C B:HEM801 3.1 19.9 1.0 CHA B:HEM801 3.3 18.9 1.0 CHD B:HEM801 3.4 20.7 1.0 CHB B:HEM801 3.5 20.2 1.0 CHC B:HEM801 3.5 20.1 1.0 CG B:HIS279 4.1 26.6 1.0 ND1 B:HIS279 4.1 22.9 1.0 C2A B:HEM801 4.1 18.1 1.0 C2D B:HEM801 4.2 21.1 1.0 C3D B:HEM801 4.2 21.0 1.0 C3A B:HEM801 4.2 19.2 1.0 C2B B:HEM801 4.3 18.9 1.0 C3C B:HEM801 4.3 21.2 1.0 C2C B:HEM801 4.3 22.6 1.0 C3B B:HEM801 4.3 19.9 1.0 O B:HOH1403 4.3 36.5 1.0 NE1 B:TRP111 4.5 27.8 1.0 O1 B:OXY803 4.6 50.8 1.0 CD1 B:TRP111 4.7 27.9 1.0

P.C.Loewen, P.C.Loewen. N/A N/A.