Iron in PDB 2gl3: Crystal Structure of Mycobacterium Tuberculosis Trhbn, TYRB10PHE GLNE11VAL Mutant

The structure of Crystal Structure of Mycobacterium Tuberculosis Trhbn, TYRB10PHE GLNE11VAL Mutant, PDB code: 2gl3 was solved by M.Milani, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.92
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.855, 61.684, 90.206, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 23.2

The structure of Crystal Structure of Mycobacterium Tuberculosis Trhbn, TYRB10PHE GLNE11VAL Mutant also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the Crystal Structure of Mycobacterium Tuberculosis Trhbn, TYRB10PHE GLNE11VAL Mutant (pdb code 2gl3). 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 Mycobacterium Tuberculosis Trhbn, TYRB10PHE GLNE11VAL Mutant, PDB code: 2gl3:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Trhbn, TYRB10PHE GLNE11VAL Mutant


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 Mycobacterium Tuberculosis Trhbn, TYRB10PHE GLNE11VAL Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe144 b:16.4 occ:1.00 FE A:HEM144 0.0 16.4 1.0 NA A:HEM144 2.0 15.8 1.0 NC A:HEM144 2.1 15.1 1.0 ND A:HEM144 2.1 17.8 1.0 NB A:HEM144 2.1 15.7 1.0 NE2 A:HIS81 2.1 14.8 1.0 C A:CYN145 2.2 11.7 1.0 CE1 A:HIS81 3.0 16.0 1.0 C1A A:HEM144 3.0 15.1 1.0 C4A A:HEM144 3.0 15.1 1.0 C4C A:HEM144 3.1 16.0 1.0 C1B A:HEM144 3.1 16.2 1.0 C4D A:HEM144 3.1 18.5 1.0 C1D A:HEM144 3.1 19.6 1.0 C1C A:HEM144 3.1 15.4 1.0 C4B A:HEM144 3.1 20.4 1.0 CD2 A:HIS81 3.2 13.9 1.0 N A:CYN145 3.3 24.3 1.0 CHB A:HEM144 3.4 14.9 1.0 CHA A:HEM144 3.4 16.1 1.0 CHD A:HEM144 3.4 16.9 1.0 CHC A:HEM144 3.5 14.5 1.0 ND1 A:HIS81 4.2 14.3 1.0 C2A A:HEM144 4.2 17.6 1.0 C3A A:HEM144 4.2 20.0 1.0 CG A:HIS81 4.3 19.6 1.0 C3C A:HEM144 4.3 16.2 1.0 C2B A:HEM144 4.3 23.4 1.0 C2C A:HEM144 4.3 18.4 1.0 C3D A:HEM144 4.3 22.8 1.0 C3B A:HEM144 4.3 17.1 1.0 C2D A:HEM144 4.3 19.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Trhbn, TYRB10PHE GLNE11VAL Mutant


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 Mycobacterium Tuberculosis Trhbn, TYRB10PHE GLNE11VAL Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe144 b:15.9 occ:1.00 FE B:HEM144 0.0 15.9 1.0 NC B:HEM144 2.0 18.1 1.0 NB B:HEM144 2.1 17.0 1.0 NE2 B:HIS81 2.1 12.2 1.0 ND B:HEM144 2.1 20.1 1.0 NA B:HEM144 2.1 17.4 1.0 C B:CYN145 2.1 8.1 1.0 CE1 B:HIS81 3.0 21.4 1.0 C4C B:HEM144 3.0 14.2 1.0 C1C B:HEM144 3.1 16.3 1.0 C4D B:HEM144 3.1 18.8 1.0 C1B B:HEM144 3.1 14.3 1.0 C1D B:HEM144 3.1 15.1 1.0 C1A B:HEM144 3.1 21.9 1.0 C4B B:HEM144 3.1 19.4 1.0 C4A B:HEM144 3.1 16.8 1.0 CD2 B:HIS81 3.1 13.4 1.0 N B:CYN145 3.2 21.0 1.0 CHD B:HEM144 3.4 15.9 1.0 CHA B:HEM144 3.4 14.8 1.0 CHC B:HEM144 3.4 15.3 1.0 CHB B:HEM144 3.5 14.4 1.0 ND1 B:HIS81 4.1 20.8 1.0 CG B:HIS81 4.2 21.1 1.0 C3C B:HEM144 4.2 13.2 1.0 C2C B:HEM144 4.3 18.2 1.0 C2B B:HEM144 4.3 19.9 1.0 C2D B:HEM144 4.3 20.4 1.0 C3D B:HEM144 4.3 19.6 1.0 C2A B:HEM144 4.3 13.6 1.0 C3B B:HEM144 4.3 17.2 1.0 C3A B:HEM144 4.3 17.1 1.0 O B:HOH5096 4.4 45.9 1.0

Y.Ouellet, M.Milani, M.Couture, M.Bolognesi, M.Guertin. Ligand Interactions in the Distal Heme Pocket of Mycobacterium Tuberculosis Truncated Hemoglobin N: Roles of TYRB10 and GLNE11 Residues Biochemistry V. 45 8770 2006.
ISSN: ISSN 0006-2960
PubMed: 16846220
DOI: 10.1021/BI060112O