Iron in PDB 1rte: X-Ray Structure of Cyanide Derivative of Truncated Hemoglobin N (Trhbn) From Mycobacterium Tuberculosis

The structure of X-Ray Structure of Cyanide Derivative of Truncated Hemoglobin N (Trhbn) From Mycobacterium Tuberculosis, PDB code: 1rte was solved by M.Milani, M.Guertin, A.Boffi, G.Antonini, A.Bocedi, M.Mattu, M.Bolognesi, P.Ascenzi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.30 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.567, 61.443, 91.294, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 23.7

The binding sites of Iron atom in the X-Ray Structure of Cyanide Derivative of Truncated Hemoglobin N (Trhbn) From Mycobacterium Tuberculosis (pdb code 1rte). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Structure of Cyanide Derivative of Truncated Hemoglobin N (Trhbn) From Mycobacterium Tuberculosis, PDB code: 1rte:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Structure of Cyanide Derivative of Truncated Hemoglobin N (Trhbn) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of Cyanide Derivative of Truncated Hemoglobin N (Trhbn) From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe144 b:15.8 occ:1.00 FE A:HEM144 0.0 15.8 1.0 C A:CYN445 1.8 19.4 1.0 NB A:HEM144 2.0 15.4 1.0 NA A:HEM144 2.0 17.0 1.0 ND A:HEM144 2.0 17.5 1.0 NC A:HEM144 2.0 14.3 1.0 NE2 A:HIS81 2.1 15.3 1.0 C4D A:HEM144 3.0 18.4 1.0 N A:CYN445 3.0 19.6 1.0 C1A A:HEM144 3.0 17.7 1.0 C4B A:HEM144 3.0 17.3 1.0 C1B A:HEM144 3.0 17.5 1.0 C1D A:HEM144 3.0 15.9 1.0 C1C A:HEM144 3.0 15.6 1.0 C4C A:HEM144 3.1 15.2 1.0 C4A A:HEM144 3.1 17.1 1.0 CE1 A:HIS81 3.1 15.1 1.0 CD2 A:HIS81 3.1 16.0 1.0 CHA A:HEM144 3.4 17.8 1.0 CHC A:HEM144 3.4 16.0 1.0 CHD A:HEM144 3.4 17.0 1.0 CHB A:HEM144 3.4 15.8 1.0 ND1 A:HIS81 4.2 14.8 1.0 C3B A:HEM144 4.2 18.1 1.0 CG A:HIS81 4.2 15.5 1.0 C2B A:HEM144 4.2 16.8 1.0 C2A A:HEM144 4.3 16.9 1.0 C3D A:HEM144 4.3 20.8 1.0 C2C A:HEM144 4.3 14.6 1.0 C2D A:HEM144 4.3 19.5 1.0 C3A A:HEM144 4.3 18.8 1.0 C3C A:HEM144 4.3 17.2 1.0 NE2 A:GLN58 4.8 19.0 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of Cyanide Derivative of Truncated Hemoglobin N (Trhbn) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure of Cyanide Derivative of Truncated Hemoglobin N (Trhbn) From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe144 b:16.4 occ:1.00 FE B:HEM144 0.0 16.4 1.0 C B:CYN446 1.7 19.9 1.0 NE2 B:HIS81 2.0 18.4 1.0 NB B:HEM144 2.0 14.7 1.0 NC B:HEM144 2.0 15.1 1.0 NA B:HEM144 2.0 13.1 1.0 ND B:HEM144 2.0 16.4 1.0 N B:CYN446 2.9 19.6 1.0 CE1 B:HIS81 3.0 19.5 1.0 CD2 B:HIS81 3.0 19.2 1.0 C1D B:HEM144 3.0 16.3 1.0 C1B B:HEM144 3.0 15.4 1.0 C4C B:HEM144 3.0 16.2 1.0 C4B B:HEM144 3.0 17.7 1.0 C4D B:HEM144 3.1 18.3 1.0 C4A B:HEM144 3.1 15.8 1.0 C1C B:HEM144 3.1 17.0 1.0 C1A B:HEM144 3.1 17.7 1.0 CHD B:HEM144 3.3 16.8 1.0 CHB B:HEM144 3.4 15.8 1.0 CHC B:HEM144 3.5 15.7 1.0 CHA B:HEM144 3.5 15.5 0.0 ND1 B:HIS81 4.1 19.7 1.0 CG B:HIS81 4.1 18.1 1.0 C2B B:HEM144 4.2 16.6 1.0 C2D B:HEM144 4.2 18.1 1.0 C3B B:HEM144 4.3 17.1 1.0 C3C B:HEM144 4.3 19.4 1.0 C3D B:HEM144 4.3 19.4 1.0 C2C B:HEM144 4.3 17.0 1.0 C3A B:HEM144 4.3 18.0 1.0 C2A B:HEM144 4.3 17.1 1.0 NE2 B:GLN58 4.8 16.3 1.0

M.Milani, Y.Ouellet, H.Ouellet, M.Guertin, A.Boffi, G.Antonini, A.Bocedi, M.Mattu, M.Bolognesi, P.Ascenzi. Cyanide Binding to Truncated Hemoglobins: A Crystallographic and Kinetic Study Biochemistry V. 43 5213 2004.
ISSN: ISSN 0006-2960
PubMed: 15122887
DOI: 10.1021/BI049870+