Iron in PDB 6js9: Crystal Structure of the N-Terminal Domain of Htaa From Corynebacterium Glutamicum

The structure of Crystal Structure of the N-Terminal Domain of Htaa From Corynebacterium Glutamicum, PDB code: 6js9 was solved by N.Muraki, S.Aono, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.41 / 2.00
Space group	P 31 1 2
Cell size a, b, c (Å), α, β, γ (°)	65.120, 65.120, 181.980, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 22

The binding sites of Iron atom in the Crystal Structure of the N-Terminal Domain of Htaa From Corynebacterium Glutamicum (pdb code 6js9). 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 the N-Terminal Domain of Htaa From Corynebacterium Glutamicum, PDB code: 6js9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the N-Terminal Domain of Htaa From Corynebacterium Glutamicum


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 the N-Terminal Domain of Htaa From Corynebacterium Glutamicum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:36.3 occ:1.00 FE A:HEM300 0.0 36.3 1.0 NB A:HEM300 2.1 27.1 1.0 ND A:HEM300 2.1 26.9 1.0 NA A:HEM300 2.1 34.4 1.0 NC A:HEM300 2.1 27.4 1.0 OH A:TYR58 2.3 31.4 1.0 C1B A:HEM300 3.1 26.1 1.0 C1D A:HEM300 3.1 23.9 1.0 C4A A:HEM300 3.1 30.9 1.0 C4C A:HEM300 3.1 26.3 1.0 C4D A:HEM300 3.1 28.8 1.0 C1A A:HEM300 3.1 32.9 1.0 C4B A:HEM300 3.1 25.1 1.0 C1C A:HEM300 3.1 25.0 1.0 CZ A:TYR58 3.2 35.2 1.0 CHB A:HEM300 3.4 33.4 1.0 CHD A:HEM300 3.4 29.3 1.0 CZ A:PHE200 3.4 39.3 1.0 CHA A:HEM300 3.5 31.2 1.0 CHC A:HEM300 3.5 27.5 1.0 CE2 A:PHE200 3.8 36.7 1.0 CE1 A:PHE200 3.9 44.3 1.0 NE2 A:HIS111 3.9 31.1 1.0 CE1 A:TYR58 3.9 30.6 1.0 CE2 A:TYR58 3.9 35.6 1.0 C2D A:HEM300 4.3 32.1 1.0 C2B A:HEM300 4.3 28.8 1.0 C3D A:HEM300 4.3 28.1 1.0 C2A A:HEM300 4.3 29.0 1.0 C3A A:HEM300 4.3 33.8 1.0 C3C A:HEM300 4.3 26.0 1.0 C3B A:HEM300 4.3 29.5 1.0 C2C A:HEM300 4.3 23.4 1.0 CD2 A:PHE200 4.4 39.2 1.0 CD1 A:PHE200 4.5 41.0 1.0 CD2 A:HIS111 4.5 31.8 1.0 CG A:PHE200 4.8 40.3 1.0 CE1 A:HIS111 4.9 32.5 1.0 CD1 A:LEU119 4.9 27.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the N-Terminal Domain of Htaa From Corynebacterium Glutamicum


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 the N-Terminal Domain of Htaa From Corynebacterium Glutamicum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe300 b:30.1 occ:1.00 FE B:HEM300 0.0 30.1 1.0 NB B:HEM300 2.0 26.5 1.0 ND B:HEM300 2.1 31.5 1.0 NC B:HEM300 2.1 21.1 1.0 NA B:HEM300 2.1 26.5 1.0 OH B:TYR58 2.2 23.4 1.0 C1B B:HEM300 3.0 21.8 1.0 C1D B:HEM300 3.1 29.8 1.0 C4B B:HEM300 3.1 24.2 1.0 C4A B:HEM300 3.1 25.0 1.0 C4C B:HEM300 3.1 23.2 1.0 C1C B:HEM300 3.1 23.4 1.0 C4D B:HEM300 3.1 24.5 1.0 C1A B:HEM300 3.1 29.1 1.0 CZ B:TYR58 3.1 28.2 1.0 CHB B:HEM300 3.4 27.2 1.0 CHD B:HEM300 3.4 25.4 1.0 CHC B:HEM300 3.5 24.7 1.0 CZ B:PHE200 3.5 32.6 1.0 CHA B:HEM300 3.5 21.7 1.0 CE1 B:PHE200 3.7 30.5 1.0 CE2 B:TYR58 3.9 26.5 1.0 CE2 B:PHE200 3.9 32.8 1.0 NE2 B:HIS111 3.9 27.3 1.0 CE1 B:TYR58 3.9 24.1 1.0 C2B B:HEM300 4.3 28.1 1.0 C3B B:HEM300 4.3 26.6 1.0 C2D B:HEM300 4.3 28.3 1.0 C3A B:HEM300 4.3 26.1 1.0 C3D B:HEM300 4.3 24.6 1.0 C3C B:HEM300 4.3 23.3 1.0 C2C B:HEM300 4.3 27.7 1.0 C2A B:HEM300 4.3 26.3 1.0 CD1 B:PHE200 4.4 30.8 1.0 CD2 B:PHE200 4.5 32.1 1.0 CD2 B:HIS111 4.6 27.4 1.0 CG B:PHE200 4.7 31.4 1.0 CE1 B:HIS111 4.8 29.3 1.0 CD1 B:LEU119 4.8 25.0 1.0

N.Muraki, C.Kitatsuji, Y.Okamoto, T.Uchida, K.Ishimori, S.Aono. Structural Basis For the Heme Transfer Reaction in Heme Uptake Machinery From Corynebacteria. Chem.Commun.(Camb.) V. 55 13864 2019.
ISSN: ESSN 1364-548X
PubMed: 31670736
DOI: 10.1039/C9CC07369H