Iron in PDB 4nl5: Mycobacterium Tuberculosis Heme-Degrading Protein Mhud in Complex with Heme and Cyanide

All present enzymatic activity of Mycobacterium Tuberculosis Heme-Degrading Protein Mhud in Complex with Heme and Cyanide:
1.14.99.3;

The structure of Mycobacterium Tuberculosis Heme-Degrading Protein Mhud in Complex with Heme and Cyanide, PDB code: 4nl5 was solved by R.P.Morse, A.Chao, C.W.Goulding, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.23 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.970, 60.400, 78.460, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 22.4

The binding sites of Iron atom in the Mycobacterium Tuberculosis Heme-Degrading Protein Mhud in Complex with Heme and Cyanide (pdb code 4nl5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Mycobacterium Tuberculosis Heme-Degrading Protein Mhud in Complex with Heme and Cyanide, PDB code: 4nl5:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Mycobacterium Tuberculosis Heme-Degrading Protein Mhud in Complex with Heme and Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mycobacterium Tuberculosis Heme-Degrading Protein Mhud in Complex with Heme and Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:21.1 occ:1.00 FE A:HEM201 0.0 21.1 1.0 NC A:HEM201 2.0 20.2 1.0 NA A:HEM201 2.0 17.9 1.0 ND A:HEM201 2.0 23.9 1.0 NB A:HEM201 2.0 16.9 1.0 C A:CYN202 2.1 24.6 1.0 NE2 A:HIS75 2.1 21.3 1.0 N A:CYN202 2.8 21.5 1.0 C4C A:HEM201 3.0 24.7 1.0 C1A A:HEM201 3.0 28.9 1.0 C4A A:HEM201 3.0 18.0 1.0 C1D A:HEM201 3.0 22.1 1.0 C4D A:HEM201 3.0 19.8 1.0 C1B A:HEM201 3.0 20.7 1.0 C1C A:HEM201 3.0 23.5 1.0 C4B A:HEM201 3.1 23.1 1.0 CD2 A:HIS75 3.1 23.6 1.0 CE1 A:HIS75 3.1 19.0 1.0 CHD A:HEM201 3.4 22.6 1.0 CHA A:HEM201 3.4 22.3 1.0 CHB A:HEM201 3.4 20.4 1.0 CHC A:HEM201 3.4 23.9 1.0 ND1 A:HIS75 4.2 19.4 1.0 C3C A:HEM201 4.2 21.4 1.0 CG A:HIS75 4.2 22.8 1.0 C2A A:HEM201 4.2 25.5 1.0 C3A A:HEM201 4.2 20.7 1.0 C2C A:HEM201 4.2 18.0 1.0 C2B A:HEM201 4.2 18.2 1.0 C3D A:HEM201 4.3 23.3 1.0 C3B A:HEM201 4.3 19.0 1.0 C2D A:HEM201 4.3 24.9 1.0 ND2 A:ASN7 4.4 18.9 1.0 CZ A:PHE23 4.4 26.8 1.0 CE1 A:PHE23 4.7 26.9 1.0

Iron binding site 2 out of 2 in the Mycobacterium Tuberculosis Heme-Degrading Protein Mhud in Complex with Heme and Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Mycobacterium Tuberculosis Heme-Degrading Protein Mhud in Complex with Heme and Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:22.5 occ:1.00 FE B:HEM201 0.0 22.5 1.0 NC B:HEM201 1.9 18.9 1.0 NA B:HEM201 2.0 19.2 1.0 NB B:HEM201 2.0 22.4 1.0 ND B:HEM201 2.1 22.3 1.0 NE2 B:HIS75 2.1 22.4 1.0 C B:CYN202 2.1 27.6 1.0 N B:CYN202 2.8 25.9 1.0 C4C B:HEM201 2.9 24.1 1.0 C1C B:HEM201 3.0 23.2 1.0 C4A B:HEM201 3.0 25.8 1.0 C1A B:HEM201 3.0 23.9 1.0 CD2 B:HIS75 3.0 22.3 1.0 C1D B:HEM201 3.0 21.5 1.0 C1B B:HEM201 3.0 23.7 1.0 C4B B:HEM201 3.0 24.4 1.0 C4D B:HEM201 3.1 22.8 1.0 CE1 B:HIS75 3.1 23.4 1.0 CHD B:HEM201 3.3 23.7 1.0 CHB B:HEM201 3.4 22.6 1.0 CHC B:HEM201 3.4 23.6 1.0 CHA B:HEM201 3.4 30.8 1.0 C3C B:HEM201 4.2 27.6 1.0 C2C B:HEM201 4.2 21.3 1.0 CG B:HIS75 4.2 20.4 1.0 ND1 B:HIS75 4.2 23.2 1.0 C2A B:HEM201 4.2 22.1 1.0 C3A B:HEM201 4.2 23.9 1.0 C2B B:HEM201 4.2 20.7 1.0 C3B B:HEM201 4.3 19.4 1.0 C2D B:HEM201 4.3 23.6 1.0 C3D B:HEM201 4.3 25.7 1.0 ND2 B:ASN7 4.4 20.1 1.0 CZ B:PHE23 4.5 25.4 1.0 CE1 B:PHE23 4.8 21.1 1.0

A.B.Graves, R.P.Morse, A.Chao, A.Iniguez, C.W.Goulding, M.D.Liptak. Crystallographic and Spectroscopic Insights Into Heme Degradation By Mycobacterium Tuberculosis Mhud. Inorg.Chem. V. 53 5931 2014.
ISSN: ISSN 0020-1669
PubMed: 24901029
DOI: 10.1021/IC500033B