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Iron in PDB 1idr: Crystal Structure of the Truncated-Hemoglobin-N From Mycobacterium Tuberculosis

Protein crystallography data

The structure of Crystal Structure of the Truncated-Hemoglobin-N From Mycobacterium Tuberculosis, PDB code: 1idr was solved by M.Milani, A.Pesce, P.Ascenzi, M.Guertin, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.800, 62.248, 91.020, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 25

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Truncated-Hemoglobin-N From Mycobacterium Tuberculosis (pdb code 1idr). 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 Truncated-Hemoglobin-N From Mycobacterium Tuberculosis, PDB code: 1idr:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1idr

Go back to Iron Binding Sites List in 1idr
Iron binding site 1 out of 2 in the Crystal Structure of the Truncated-Hemoglobin-N 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 Crystal Structure of the Truncated-Hemoglobin-N From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe144

b:25.8
occ:1.00
FE A:HEM144 0.0 25.8 1.0
ND A:HEM144 2.0 24.9 1.0
NB A:HEM144 2.0 25.1 1.0
NA A:HEM144 2.0 24.7 1.0
NC A:HEM144 2.0 22.3 1.0
NE2 A:HIS81 2.1 24.7 1.0
O1 A:OXY145 2.2 20.0 1.0
C4D A:HEM144 3.0 26.1 1.0
C1B A:HEM144 3.0 31.0 1.0
O2 A:OXY145 3.0 69.0 1.0
C1C A:HEM144 3.0 20.1 1.0
C1D A:HEM144 3.0 27.0 1.0
C4B A:HEM144 3.0 29.3 1.0
C1A A:HEM144 3.0 22.2 1.0
C4C A:HEM144 3.0 22.2 1.0
C4A A:HEM144 3.0 19.3 1.0
CE1 A:HIS81 3.0 24.5 1.0
CD2 A:HIS81 3.1 24.0 1.0
CHC A:HEM144 3.4 28.3 1.0
CHA A:HEM144 3.4 25.1 1.0
CHB A:HEM144 3.4 23.6 1.0
CHD A:HEM144 3.4 24.7 1.0
ND1 A:HIS81 4.2 29.2 1.0
C3D A:HEM144 4.2 36.4 1.0
C2B A:HEM144 4.2 25.3 1.0
C2D A:HEM144 4.2 30.9 1.0
CG A:HIS81 4.2 30.3 1.0
C3B A:HEM144 4.3 31.4 1.0
C2A A:HEM144 4.3 22.9 1.0
C2C A:HEM144 4.3 20.6 1.0
C3A A:HEM144 4.3 28.2 1.0
C3C A:HEM144 4.3 21.4 1.0
NE2 A:GLN58 4.8 29.6 1.0

Iron binding site 2 out of 2 in 1idr

Go back to Iron Binding Sites List in 1idr
Iron binding site 2 out of 2 in the Crystal Structure of the Truncated-Hemoglobin-N 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 Crystal Structure of the Truncated-Hemoglobin-N From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe144

b:25.8
occ:1.00
FE B:HEM144 0.0 25.8 1.0
NB B:HEM144 1.9 24.9 1.0
NA B:HEM144 2.0 24.3 1.0
NC B:HEM144 2.0 29.8 1.0
ND B:HEM144 2.0 25.3 1.0
O1 B:OXY145 2.1 22.9 1.0
NE2 B:HIS81 2.1 23.9 1.0
O2 B:OXY145 2.8 42.8 1.0
C1B B:HEM144 3.0 28.4 1.0
C4C B:HEM144 3.0 24.1 1.0
C1D B:HEM144 3.0 22.1 1.0
C4A B:HEM144 3.0 21.7 1.0
CE1 B:HIS81 3.0 26.4 1.0
C1A B:HEM144 3.0 22.8 1.0
C4B B:HEM144 3.0 27.5 1.0
C4D B:HEM144 3.0 23.0 1.0
C1C B:HEM144 3.1 24.0 1.0
CD2 B:HIS81 3.2 22.0 1.0
CHB B:HEM144 3.4 24.8 1.0
CHD B:HEM144 3.4 26.9 1.0
CHA B:HEM144 3.4 24.6 1.0
CHC B:HEM144 3.5 23.0 1.0
ND1 B:HIS81 4.2 26.6 1.0
C2B B:HEM144 4.2 31.0 1.0
C3C B:HEM144 4.2 24.8 1.0
C3B B:HEM144 4.2 25.1 1.0
C3A B:HEM144 4.2 22.5 1.0
C2D B:HEM144 4.3 25.7 1.0
C2C B:HEM144 4.3 22.9 1.0
C2A B:HEM144 4.3 27.2 1.0
CG B:HIS81 4.3 25.2 1.0
C3D B:HEM144 4.3 25.9 1.0
NE2 B:GLN58 4.9 38.9 1.0
OH B:TYR33 5.0 36.2 1.0

Reference:

M.Milani, A.Pesce, Y.Ouellet, P.Ascenzi, M.Guertin, M.Bolognesi. Mycobacterium Tuberculosis Hemoglobin N Displays A Protein Tunnel Suited For O2 Diffusion to the Heme. Embo J. V. 20 3902 2001.
ISSN: ISSN 0261-4189
PubMed: 11483493
DOI: 10.1093/EMBOJ/20.15.3902
Page generated: Sun Dec 13 14:18:29 2020

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