Iron in PDB 6q09: Crystal Structure of Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii

The structure of Crystal Structure of Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii, PDB code: 6q09 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.46 / 1.75
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	52.490, 52.490, 104.420, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 22.5

The binding sites of Iron atom in the Crystal Structure of Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii (pdb code 6q09). 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 Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii, PDB code: 6q09:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii


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 Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:33.6 occ:0.75 O A:HOH444 1.7 32.5 1.0 NE2 A:HIS45 1.9 31.4 1.0 OE1 A:GLU109 2.0 45.4 1.0 OE2 A:GLU49 2.1 32.5 1.0 NE2 A:HIS11 2.2 48.3 1.0 CD2 A:HIS45 2.8 29.8 1.0 CD A:GLU109 3.0 44.0 1.0 CE1 A:HIS45 3.0 30.3 1.0 CD A:GLU49 3.0 31.9 1.0 CE1 A:HIS11 3.1 53.5 1.0 CD2 A:HIS11 3.2 47.1 1.0 FE A:FE301 3.2 33.7 0.6 OE2 A:GLU109 3.3 43.3 1.0 OE1 A:GLU49 3.4 27.8 1.0 CG A:HIS45 4.0 23.7 1.0 ND1 A:HIS45 4.0 30.9 1.0 NE2 A:HIS105 4.1 48.5 1.0 ND1 A:HIS11 4.2 50.6 1.0 CG A:HIS11 4.3 45.3 1.0 CG A:GLU109 4.3 45.0 1.0 CG A:GLU49 4.3 20.9 1.0 CD2 A:HIS105 4.8 47.8 1.0 CD2 A:LEU7 4.8 34.7 1.0 CB A:GLU109 4.8 35.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii


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 Iron-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein: RV2633C Homolog From Mycobacterium Kansasii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:33.7 occ:0.59 OE2 A:GLU109 2.0 43.3 1.0 NE2 A:HIS105 2.0 48.5 1.0 OE1 A:GLU49 2.0 27.8 1.0 NE2 A:HIS71 2.4 41.6 1.0 O A:HOH444 2.5 32.5 1.0 CE1 A:HIS105 2.5 48.7 1.0 CD A:GLU49 2.9 31.9 1.0 CD A:GLU109 2.9 44.0 1.0 OH A:TYR54 3.0 41.8 1.0 OE2 A:GLU49 3.2 32.5 1.0 FE A:FE300 3.2 33.6 0.8 OE1 A:GLU109 3.3 45.4 1.0 CD2 A:HIS71 3.3 38.7 1.0 CD2 A:HIS105 3.3 47.8 1.0 CE1 A:HIS71 3.4 39.0 1.0 ND1 A:HIS105 3.8 53.6 1.0 CE1 A:PHE46 4.0 40.7 1.0 CZ A:TYR54 4.1 36.8 1.0 CG A:HIS105 4.2 47.0 1.0 CD1 A:PHE46 4.2 27.9 1.0 CG A:GLU109 4.3 45.0 1.0 CG A:GLU49 4.3 20.9 1.0 NE2 A:HIS45 4.4 31.4 1.0 CD2 A:HIS45 4.4 29.8 1.0 ND1 A:HIS71 4.5 39.7 1.0 CG A:HIS71 4.5 38.8 1.0 CB A:GLU49 4.6 21.5 1.0 CB A:GLU109 4.8 35.1 1.0 CE2 A:TYR54 4.8 42.7 1.0 CZ A:PHE46 5.0 37.4 1.0

Z.Ma, J.Abendroth, G.W.Buchko, K.H.Rohde, V.L.Davidson. Crystal Structure of A Hemerythrin-Like Protein From Mycobacterium Kansasii and Homology Model of the Orthologous RV2633C Protein of M. Tuberculosis. Biochem.J. 2020.
ISSN: ESSN 1470-8728
PubMed: 31913442
DOI: 10.1042/BCJ20190827